0 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.1 C#CCCCCC(=O)C#CC 1458a_100000763181_100010269958 [0,0,0,0,0,0|1,0,3]=4 14 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,0,0,0,0,0|1,0,3]=4 15 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,0,0,0,0,0|1,0,2]=3 16 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,0,0,0,0,0|1,0,2]=3 17 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,0,0,0,0,0|2,0,2]=4 21 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,0,0,0,0,0|2,0,2]=4 22 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,0,0,0,0,0|1,0,2]=3 23 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,0,0,0,0,0|1,0,2]=3 24 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,0,0,0,0,0|1,0,2]=3 25 B10R0.1 C#CCCCCC(=O)NNC 22a_100016993582_100000696528 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.1 C#CCCCNC(=O)NCC 2708a_100000718082_100015525214 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.1 C#CCCCNC(=O)NCC 2708a_100015525214_100000718082 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.1 C#CCCCNC(=O)NCC 273464a_100000718082_100015525214 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.1 C#CCCCNC(=O)NCC 273464a_100015525214_100000718082 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.1 C#CCCCNC(=O)NCC 512a_100000718082_100015525214 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.1 C#CCCCNC(=O)NCC 512a_100015525214_100000718082 [0,0,0,0,0,0|2,0,2]=4 36 B10R0.1 C#CCCNCC(=O)NCC 2230a_100016988866_100000688953 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.1 C#CCCNCC(=O)NCC 34a_100000755551_100000183381 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,0,0,0,0,0|1,0,2]=3 39 B10R0.1 C#CCCOCC(=O)NCC 34a_100011215631_100000183381 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,0,0,0,0,0|1,0,2]=3 41 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.1 C#CCCSCC(=O)NCC 62a_100000183381_100000688953 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.1 C#CCCSCC(=O)NCC 62a_100000688953_100000183381 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,0,0,0,0,0|1,0,2]=3 46 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,0,0,0,0,0|1,0,2]=3 47 B10R0.1 C#CCNCCC(=O)NCC 34a_100025743525_100000184674 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,0,0,0,0,0|1,0,2]=3 49 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.1 C#CCOCCC(=O)NCC 11a_100015525214_100000693358 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.1 C#CCOCCC(=O)NCC 240690a_100015525214_100000693358 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.1 C#CCOCCC(=O)NCC 527a_100015525214_100000693358 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,0,0,0,0,0|1,0,2]=3 55 B10R0.1 C#CCSCCC(=O)NCC 62a_100000038162_100000737597 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,0,0,0,0,0|1,0,2]=3 57 B10R0.1 C#CCSCOC(=O)OCC 62a_100000038162_100000075025 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,0,0,0,0,0|1,0,2]=3 60 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,0,0,0,0,0|1,0,2]=3 65 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,0,0,0,0,0|1,0,2]=3 66 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,0,0,0,0,0|1,0,2]=3 67 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,0,0,0,0,0|1,0,2]=3 68 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,0,0,0,0,0|2,0,2]=4 72 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,0,0,0,0,0|2,0,2]=4 73 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,0,0,0,0,0|2,0,2]=4 74 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,0,0,0,0,0|2,0,2]=4 75 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,0,0,0,0,0|2,0,2]=4 80 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,0,0,0,0,0|2,0,2]=4 81 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,0,0,0,0,0|1,0,3]=4 82 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,0,0,0,0,0|1,0,3]=4 83 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,0,0,0,0,0|1,0,2]=3 84 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,0,0,0,0,0|1,0,2]=3 85 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,0,0,0,0,0|2,0,2]=4 88 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,0,0,0,0,0|1,0,2]=3 91 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,0,0,0,0,0|1,0,2]=3 92 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,0,0,0,0,0|1,0,2]=3 93 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,0,0,0,0,0|2,0,2]=4 94 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,0,0,0,0,0|2,0,2]=4 95 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,0,0,0,0,0|2,0,2]=4 101 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,0,0,0,0,0|2,0,2]=4 102 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,0,0,0,0,0|2,0,2]=4 104 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,0,0,0,0,0|2,0,2]=4 105 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,0,0,0,0,0|1,0,2]=3 108 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,0,0,0,0,0|1,0,2]=3 110 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [0,0,0,0,0,0|2,0,2]=4 113 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,0,0,0,0,0|1,0,2]=3 115 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,0,0,0,0,0|1,0,2]=3 116 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,0,0,0,0,0|2,0,2]=4 118 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,0,0,0,0,0|1,0,2]=3 119 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,0,0,0,0,0|2,0,2]=4 120 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,0,0,0,0,0|2,0,2]=4 121 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,0,0,0,0,0|2,0,2]=4 122 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,0,0,0,0,0|2,0,2]=4 123 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,0,0,0,0,0|1,0,2]=3 124 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,0,0,0,0,0|2,0,2]=4 125 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,0,0,0,0,0|2,0,2]=4 126 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,0,0,0,0,0|1,0,2]=3 127 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,0,0,0,0,0|1,0,2]=3 128 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,0,0,0,0,0|1,0,2]=3 130 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [0,0,0,0,0,0|2,0,2]=4 132 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [0,0,0,0,0,0|2,0,2]=4 133 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [0,0,0,0,0,0|2,0,2]=4 135 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,0,0,0,0,0|1,0,2]=3 136 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [0,0,0,0,0,0|2,0,2]=4 137 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [0,0,0,0,0,0|2,0,2]=4 138 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,0,0,0,0,0|2,0,2]=4 141 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,0,0,0,0,0|1,0,2]=3 142 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,0,0,0,0,0|1,0,2]=3 143 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [0,0,0,0,0,0|2,0,2]=4 144 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [0,0,0,0,0,0|2,0,2]=4 145 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [0,0,0,0,0,0|2,0,2]=4 146 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [0,0,0,0,0,0|2,0,2]=4 147 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [0,0,0,0,0,0|2,0,2]=4 148 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [0,0,0,0,0,0|2,0,2]=4 149 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,0,0,0,0,0|2,0,2]=4 150 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,0,0,0,0,0|2,0,2]=4 151 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [0,0,0,0,0,0|2,0,2]=4 152 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,0,0,0,0,0|1,0,3]=4 154 B10R0.1 CC#CC(=O)CCCCC#N 1458a_100000763181_100000211819 [0,0,0,0,0,0|2,0,2]=4 155 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,0,0,0,0,0|1,0,1]=2 156 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,0,0,0,0,0|2,0,1]=3 157 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,0,0,0,0,0|2,0,1]=3 158 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,0,0,0,0,0|2,0,1]=3 159 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,0,0,0,0,0|2,0,1]=3 160 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,0,0,0,0,0|2,0,1]=3 161 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [0,0,0,0,0,0|3,0,1]=4 162 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,0,0,0,0,0|2,0,1]=3 163 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,0,0,0,0,0|3,0,1]=4 164 B10R0.1 CC#CCNCC(=O)CCC 2230a_100000685387_100000747444 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.1 CC#CCNCC(=O)NCC 2230a_100000685387_100000183381 [0,0,0,0,0,0|2,0,2]=4 166 B10R0.1 CC#CCNCC(=O)NCC 2230a_100016988866_100000748600 [0,0,0,0,0,0|2,0,2]=4 167 B10R0.1 CC#CCNCC(=O)NCC 34a_100000685387_100000183381 [0,0,0,0,0,0|2,0,2]=4 168 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,0,0,0,0,0|1,0,2]=3 169 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,0,0,0,0,0|1,0,2]=3 170 B10R0.1 CC#CCOCC(=O)NCC 34a_100000761923_100000183381 [0,0,0,0,0,0|2,0,2]=4 171 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,0,0,0,0,0|1,0,2]=3 172 B10R0.1 CC#CCSCC(=O)CCC 62a_100000747444_100000748600 [0,0,0,0,0,0|2,0,2]=4 173 B10R0.1 CC#CCSCC(=O)CCC 62a_100000748600_100000747444 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.1 CC#CCSCC(=O)NCC 62a_100000183381_100000748600 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.1 CC#CCSCC(=O)NCC 62a_100000748600_100000183381 [0,0,0,0,0,0|2,0,2]=4 176 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,0,0,0,0,0|1,0,2]=3 177 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,0,0,0,0,0|1,0,2]=3 178 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,0,0,0,0,0|1,0,2]=3 179 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,0,0,0,0,0|2,0,2]=4 180 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,0,0,0,0,0|2,0,2]=4 181 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,0,0,0,0,0|2,0,2]=4 182 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,0,0,0,0,0|1,0,3]=4 183 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,0,0,0,0,0|2,0,2]=4 184 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,0,0,0,0,0|1,0,1]=2 185 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,0,0,0,0,0|2,0,1]=3 186 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,0,0,0,0,0|2,0,1]=3 187 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,0,0,0,0,0|2,0,1]=3 188 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,0,0,0,0,0|2,0,1]=3 189 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,0,0,0,0,0|2,0,1]=3 190 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,0,0,0,0,0|3,0,1]=4 191 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,0,0,0,0,0|2,0,1]=3 192 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,0,0,0,0,0|2,0,1]=3 193 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,0,0,0,0,0|2,0,1]=3 194 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,0,0,0,0,0|2,0,1]=3 195 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,0,0,0,0,0|3,0,1]=4 196 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,0,0,0,0,0|3,0,1]=4 197 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,0,0,0,0,0|3,0,1]=4 198 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,0,0,0,0,0|3,0,1]=4 199 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,0,0,0,0,0|3,0,1]=4 200 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,0,0,0,0,0|3,0,1]=4 201 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,0,0,0,0,0|3,0,1]=4 202 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,0,0,0,0,0|3,0,1]=4 203 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,0,0,0,0,0|3,0,1]=4 204 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,0,0,0,0,0|3,0,1]=4 205 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,0,0,0,0,0|3,0,1]=4 206 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,0,0,0,0,0|3,0,1]=4 207 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,0,0,0,0,0|3,0,1]=4 208 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [0,0,0,0,0,0|2,0,2]=4 209 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,0,0,0,0,0|2,0,2]=4 210 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,0,0,0,0,0|2,0,2]=4 211 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [0,0,0,0,0,0|2,0,2]=4 212 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [0,0,0,0,0,0|2,0,2]=4 213 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,0,0,0,0,0|1,0,2]=3 214 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,0,0,0,0,0|1,0,2]=3 215 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,0,0,0,0,0|1,0,2]=3 216 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,0,0,0,0,0|2,0,2]=4 217 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,0,0,0,0,0|1,0,2]=3 219 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,0,0,0,0,0|1,0,2]=3 220 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,0,0,0,0,0|1,0,2]=3 221 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,0,0,0,0,0|2,0,2]=4 222 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,0,0,0,0,0|2,0,1]=3 223 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,0,0,0,0,0|2,0,0]=2 224 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,0,0,0,0,0|2,0,0]=2 225 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,0,0,0,0,0|2,0,0]=2 226 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,0,0,0,0,0|2,0,0]=2 227 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [0,0,0,0,0,0|4,0,0]=4 228 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,0,0,0,0,0|2,0,0]=2 229 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [0,0,0,0,0,0|3,0,1]=4 230 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,0,0,0,0,0|3,0,0]=3 231 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,0,0,0,0,0|3,0,0]=3 232 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,0,0,0,0,0|3,0,0]=3 233 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,0,0,0,0,0|3,0,0]=3 234 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,0,0,0,0,0|3,0,0]=3 235 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,0,0,0,0,0|3,0,0]=3 236 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,0,0,0,0,0|3,0,0]=3 237 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [0,0,0,0,0,0|3,0,1]=4 238 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [0,0,0,0,0,0|3,0,1]=4 239 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,0,0,0,0,0|3,0,0]=3 240 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,0,0,0,0,0|3,0,0]=3 241 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,0,0,0,0,0|3,0,0]=3 242 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,0,0,0,0,0|3,0,0]=3 243 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,0,0,0,0,0|3,0,0]=3 244 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,0,0,0,0,0|3,0,0]=3 245 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,0,0,0,0,0|3,0,0]=3 246 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,0,0,0,0,0|3,0,0]=3 247 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,0,0,0,0,0|3,0,0]=3 248 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,0,0,0,0,0|3,0,0]=3 249 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,0,0,0,0,0|3,0,0]=3 250 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,0,0,0,0,0|3,0,0]=3 251 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,0,0,0,0,0|3,0,0]=3 252 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,0,0,0,0,0|3,0,0]=3 253 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,0,0,0,0,0|3,0,0]=3 254 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,0,0,0,0,0|3,0,0]=3 255 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,0,0,0,0,0|3,0,0]=3 256 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,0,0,0,0,0|3,0,0]=3 257 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,0,0,0,0,0|3,0,0]=3 258 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,0,0,0,0,0|3,0,0]=3 259 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,0,0,0,0,0|3,0,0]=3 260 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,0,0,0,0,0|3,0,0]=3 261 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,0,0,0,0,0|3,0,0]=3 262 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,0,0,0,0,0|3,0,0]=3 263 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,0,0,0,0,0|3,0,0]=3 264 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,0,0,0,0,0|3,0,0]=3 265 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,0,0,0,0,0|3,0,0]=3 266 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,0,0,0,0,0|4,0,0]=4 267 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,0,0,0,0,0|4,0,0]=4 268 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,0,0,0,0,0|4,0,0]=4 269 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,0,0,0,0,0|4,0,0]=4 270 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,0,0,0,0,0|4,0,0]=4 271 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,0,0,0,0,0|4,0,0]=4 272 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,0,0,0,0,0|4,0,0]=4 273 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,0,0,0,0,0|4,0,0]=4 274 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,0,0,0,0,0|4,0,0]=4 275 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,0,0,0,0,0|4,0,0]=4 276 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,0,0,0,0,0|3,0,1]=4 277 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,0,0,0,0,0|3,0,1]=4 278 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,0,0,0,0,0|3,0,1]=4 279 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,0,0,0,0,0|1,0,2]=3 280 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,0,0,0,0,0|2,0,2]=4 281 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,0,0,0,0,0|2,0,2]=4 282 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,0,0,0,0,0|1,0,2]=3 283 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,0,0,0,0,0|1,0,2]=3 284 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,0,0,0,0,0|2,0,2]=4 285 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,0,0,0,0,0|2,0,1]=3 286 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,0,0,0,0,0|2,0,1]=3 287 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,0,0,0,0,0|2,0,1]=3 288 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,0,0,0,0,0|2,0,1]=3 289 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,0,0,0,0,0|2,0,1]=3 290 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,0,0,0,0,0|1,0,0]=1 291 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,0,0,0,0,0|1,0,0]=1 292 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,0,0,0,0,0|2,0,0]=2 293 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,0,0,0,0,0|2,0,0]=2 294 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,0,0,0,0,0|2,0,0]=2 295 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,0,0,0,0,0|2,0,0]=2 296 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,0,0,0,0,0|2,0,0]=2 297 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,0,0,0,0,0|1,0,0]=1 298 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,0,0,0,0,0|1,0,0]=1 299 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,0,0,0,0,0|1,0,0]=1 300 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,0,0,0,0,0|2,0,0]=2 301 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,0,0,0,0,0|2,0,1]=3 302 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,0,0,0,0,0|2,0,1]=3 303 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,0,0,0,0,0|2,0,1]=3 304 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,0,0,0,0,0|2,0,1]=3 305 B10R0.1 CCCCCCC(C)NCF 34a_100000210919_100015361967 [0,0,0,0,0,0|3,0,1]=4 306 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,0,0,0,0,0|1,0,1]=2 307 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,0,0,0,0,0|1,0,1]=2 308 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,0,0,0,0,0|1,0,1]=2 309 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,0,0,0,0,0|2,0,1]=3 310 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,0,0,0,0,0|2,0,1]=3 311 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,0,0,0,0,0|1,1,1]=3 312 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,0,0,0,0,0|1,1,1]=3 313 B10R0.1 CCCCCCC(C)SCF 62a_100011215978_100015361967 [0,0,0,0,0,0|2,1,1]=4 314 B10R0.1 CCCCCCC(C)SCF 62a_100015361967_100011215978 [0,0,0,0,0,0|2,1,1]=4 315 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,0,0,0,0,0|3,0,0]=3 316 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,0,0,0,0,0|3,0,0]=3 317 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,0,0,0,0,0|3,0,0]=3 318 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,0,0,0,0,0|3,0,0]=3 319 B10R0.1 CCCCCCN(C)CCF 2230a_106256046315_100011217306 [0,0,0,0,0,0|4,0,0]=4 320 B10R0.1 CCCCCCN(C)CCF 269982a_106256046315_100011217306 [0,0,0,0,0,0|4,0,0]=4 321 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,0,0,0,0,0|4,0,0]=4 322 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,0,0,0,0,0|4,0,0]=4 323 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,0,0,0,0,0|4,0,0]=4 324 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,0,0,0,0,0|4,0,0]=4 325 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,0,0,0,0,0|4,0,0]=4 326 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,0,0,0,0,0|4,0,0]=4 327 B10R0.1 CCCCCCN(C)CSC 2230a_106256046315_100011218213 [0,0,0,0,0,0|4,0,0]=4 328 B10R0.1 CCCCCCN(C)CSC 269982a_106256046315_100011218213 [0,0,0,0,0,0|4,0,0]=4 329 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,0,0,0,0,0|3,0,1]=4 330 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,0,0,0,0,0|3,0,1]=4 331 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,0,0,0,0,0|3,0,1]=4 332 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,0,0,0,0,0|3,0,1]=4 333 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,0,0,0,0,0|3,0,1]=4 336 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,0,0,0,0,0|3,0,1]=4 337 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,0,0,0,0,0|2,0,0]=2 338 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,0,0,0,0,0|2,0,0]=2 339 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,0,0,0,0,0|2,0,0]=2 340 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,0,0,0,0,0|2,0,0]=2 341 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,0,0,0,0,0|3,0,0]=3 342 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,0,0,0,0,0|3,0,0]=3 343 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,0,0,0,0,0|3,0,0]=3 344 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,0,0,0,0,0|3,0,0]=3 345 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,0,0,0,0,0|3,0,0]=3 346 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,0,0,0,0,0|3,0,0]=3 347 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,0,0,0,0,0|3,0,0]=3 348 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,0,0,0,0,0|3,0,0]=3 349 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,0,0,0,0,0|3,0,0]=3 350 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,0,0,0,0,0|3,0,0]=3 351 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,0,0,0,0,0|3,0,0]=3 352 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,0,0,0,0,0|3,0,0]=3 353 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,0,0,0,0,0|3,0,0]=3 354 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,0,0,0,0,0|3,0,0]=3 355 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,0,0,0,0,0|3,0,0]=3 356 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,0,0,0,0,0|3,0,0]=3 357 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,0,0,0,0,0|3,0,0]=3 358 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,0,0,0,0,0|2,0,0]=2 359 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,0,0,0,0,0|2,0,0]=2 360 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,0,0,0,0,0|2,0,0]=2 361 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,0,0,0,0,0|2,0,0]=2 362 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,0,0,0,0,0|2,0,0]=2 363 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,0,0,0,0,0|2,0,0]=2 364 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,0,0,0,0,0|3,0,0]=3 365 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,0,0,0,0,0|3,0,0]=3 366 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,0,0,0,0,0|3,0,0]=3 367 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,0,0,0,0,0|3,0,1]=4 368 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,0,0,0,0,0|3,0,1]=4 369 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,0,0,0,0,0|3,0,1]=4 370 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,0,0,0,0,0|3,0,1]=4 371 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,0,0,0,0,0|3,0,1]=4 372 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,0,0,0,0,0|3,0,1]=4 373 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,0,0,0,0,0|3,0,1]=4 374 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,0,0,0,0,0|3,0,1]=4 375 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,0,0,0,0,0|3,0,1]=4 376 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,0,0,0,0,0|2,0,0]=2 377 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,0,0,0,0,0|2,0,0]=2 378 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,0,0,0,0,0|2,0,0]=2 379 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,0,0,0,0,0|2,0,0]=2 380 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,0,0,0,0,0|2,0,0]=2 381 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,0,0,0,0,0|3,0,0]=3 382 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,0,0,0,0,0|3,0,0]=3 383 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,0,0,0,0,0|1,0,0]=1 384 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,0,0,0,0,0|1,0,0]=1 385 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,0,0,0,0,0|3,0,1]=4 386 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,0,0,0,0,0|3,0,1]=4 387 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,0,0,0,0,0|3,0,1]=4 388 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,0,0,0,0,0|4,0,0]=4 389 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,0,0,0,0,0|3,0,0]=3 390 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,0,0,0,0,0|4,0,0]=4 391 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,0,0,0,0,0|4,0,0]=4 392 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,0,0,0,0,0|4,0,0]=4 393 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,0,0,0,0,0|3,0,0]=3 394 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,0,0,0,0,0|3,0,0]=3 395 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,0,0,0,0,0|3,0,0]=3 396 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,0,0,0,0,0|4,0,0]=4 397 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,0,0,0,0,0|4,0,0]=4 398 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,0,0,0,0,0|3,0,1]=4 399 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,0,0,0,0,0|3,0,1]=4 400 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,0,0,0,0,0|3,0,1]=4 401 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,0,0,0,0,0|3,0,1]=4 402 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,0,0,0,0,0|3,0,1]=4 403 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,0,0,0,0,0|2,0,0]=2 404 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,0,0,0,0,0|2,0,0]=2 405 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,0,0,0,0,0|2,0,0]=2 406 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,0,0,0,0,0|3,0,0]=3 407 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,0,0,0,0,0|3,0,0]=3 408 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,0,0,0,0,0|3,0,0]=3 409 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,0,0,0,0,0|3,0,0]=3 410 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,0,0,0,0,0|3,0,0]=3 411 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,0,0,0,0,0|2,0,0]=2 412 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,0,0,0,0,0|2,0,0]=2 413 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,0,0,0,0,0|2,0,0]=2 414 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,0,0,0,0,0|2,0,0]=2 415 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,0,0,0,0,0|2,0,0]=2 416 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,0,0,0,0,0|3,0,0]=3 417 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,0,0,0,0,0|3,0,0]=3 418 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,0,0,0,0,0|3,0,0]=3 419 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,0,0,0,0,0|1,0,0]=1 420 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,0,0,0,0,0|1,0,0]=1 421 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,0,0,0,0,0|3,0,1]=4 422 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,0,0,0,0,0|3,0,1]=4 423 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,0,0,0,0,0|3,0,1]=4 424 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,0,0,0,0,0|3,0,1]=4 425 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,0,0,0,0,0|2,0,1]=3 426 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,0,0,0,0,0|2,0,1]=3 427 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,0,0,0,0,0|3,0,1]=4 428 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,0,0,0,0,0|3,0,1]=4 429 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,0,0,0,0,0|4,0,0]=4 430 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,0,0,0,0,0|4,0,0]=4 431 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,0,0,0,0,0|3,0,1]=4 432 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,0,0,0,0,0|3,0,1]=4 433 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,0,0,0,0,0|2,0,0]=2 434 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,0,0,0,0,0|2,0,0]=2 435 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,0,0,0,0,0|2,0,0]=2 436 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,0,0,0,0,0|3,0,0]=3 437 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,0,0,0,0,0|3,0,0]=3 438 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,0,0,0,0,0|2,0,0]=2 439 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,0,0,0,0,0|2,0,0]=2 440 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,0,0,0,0,0|2,0,0]=2 441 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,0,0,0,0,0|2,0,0]=2 442 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,0,0,0,0,0|2,0,0]=2 443 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,0,0,0,0,0|3,0,0]=3 444 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,0,0,0,0,0|3,0,0]=3 445 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,0,0,0,0,0|3,0,0]=3 446 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,0,0,0,0,0|1,0,0]=1 447 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,0,0,0,0,0|1,0,0]=1 448 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,0,0,0,0,0|3,0,1]=4 449 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,0,0,0,0,0|3,0,1]=4 450 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,0,0,0,0,0|4,0,0]=4 451 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,0,0,0,0,0|4,0,0]=4 452 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,0,0,0,0,0|4,0,0]=4 453 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,0,0,0,0,0|4,0,0]=4 454 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,0,0,0,0,0|4,0,0]=4 455 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,0,0,0,0,0|4,0,0]=4 456 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,0,0,0,0,0|4,0,0]=4 457 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,0,0,0,0,0|4,0,0]=4 458 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,0,0,0,0,0|4,0,0]=4 459 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,0,0,0,0,0|4,0,0]=4 460 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,0,0,0,0,0|2,0,0]=2 461 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,0,0,0,0,0|2,0,1]=3 462 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,0,0,0,0,0|3,0,1]=4 463 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,0,0,0,0,0|3,0,1]=4 464 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,0,0,0,0,0|3,0,1]=4 465 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,0,0,0,0,0|3,0,1]=4 466 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,0,0,0,0,0|2,0,0]=2 467 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,0,0,0,0,0|3,0,0]=3 468 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,0,0,0,0,0|3,0,0]=3 469 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,0,0,0,0,0|3,0,0]=3 470 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,0,0,0,0,0|1,0,0]=1 471 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,0,0,0,0,0|3,0,1]=4 472 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,0,0,0,0,0|3,0,1]=4 473 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,0,0,0,0,0|4,0,0]=4 474 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,0,0,0,0,0|4,0,0]=4 475 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,0,0,0,0,0|3,0,1]=4 476 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,0,0,0,0,0|3,0,0]=3 477 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,0,0,0,0,0|2,0,0]=2 478 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,0,0,0,0,0|2,0,0]=2 479 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,0,0,0,0,0|1,0,0]=1 480 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,0,0,0,0,0|1,0,0]=1 481 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,0,0,0,0,0|3,0,0]=3 482 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,0,0,0,0,0|2,0,0]=2 483 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,0,0,0,0,0|2,0,0]=2 484 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 11a_100015525214_100010262590 [0,0,0,0,0,0|4,0,0]=4 485 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 240690a_100015525214_100010262590 [0,0,0,0,0,0|4,0,0]=4 486 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 527a_100015525214_100010262590 [0,0,0,0,0,0|4,0,0]=4 487 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,0,0,0,0,0|3,0,1]=4 488 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,0,0,0,0,0|3,0,0]=3 489 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,0,0,0,0,0|3,0,0]=3 490 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,0,0,0,0,0|3,0,0]=3 491 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,0,0,0,0,0|3,0,0]=3 492 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,0,0,0,0,0|3,0,0]=3 493 B10R0.1 CCNC(=O)CCSCC#N 62a_100000737597_100011215382 [0,0,0,0,0,0|3,0,1]=4 494 B10R0.1 CCNC(=O)CCSCC#N 62a_100011215382_100000737597 [0,0,0,0,0,0|3,0,1]=4 495 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,0,0,0,0,0|3,0,1]=4 496 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,0,0,0,0,0|3,0,1]=4 497 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,0,0,0,0,0|3,0,0]=3 498 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,0,0,0,0,0|3,0,0]=3 499 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,0,0,0,0,0|3,0,0]=3 500 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,0,0,0,0,0|3,0,0]=3 501 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,0,0,0,0,0|3,0,0]=3 502 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,0,0,0,0,0|3,0,0]=3 503 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,0,0,0,0,0|3,0,0]=3 504 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,0,0,0,0,0|3,0,0]=3 505 B10R0.1 CCNC(=O)CNCCC#N 2230a_100016988866_100011215226 [0,0,0,0,0,0|3,0,1]=4 506 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,0,0,0,0,0|3,0,0]=3 507 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,0,0,0,0,0|3,0,0]=3 508 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,0,0,0,0,0|3,0,0]=3 509 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,0,0,0,0,0|3,0,0]=3 510 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,0,0,0,0,0|3,0,0]=3 511 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,0,0,0,0,0|3,0,0]=3 512 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,0,0,0,0,0|3,0,0]=3 513 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,0,0,0,0,0|3,0,0]=3 514 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,0,0,0,0,0|3,0,0]=3 515 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,0,0,0,0,0|3,0,0]=3 516 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,0,0,0,0,0|3,0,0]=3 517 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,0,0,0,0,0|3,0,0]=3 518 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,0,0,0,0,0|3,0,0]=3 519 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,0,0,0,0,0|3,0,0]=3 520 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,0,0,0,0,0|3,0,0]=3 521 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,0,0,0,0,0|3,0,0]=3 522 B10R0.1 CCNC(=O)COCCON 34a_100000700252_100000183381 [0,0,0,0,0,0|4,0,0]=4 523 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,0,0,0,0,0|3,0,0]=3 524 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,0,0,0,0,0|3,0,0]=3 525 B10R0.1 CCNC(=O)CSCCC#N 62a_100000183381_100011215226 [0,0,0,0,0,0|3,0,1]=4 526 B10R0.1 CCNC(=O)CSCCC#N 62a_100011215226_100000183381 [0,0,0,0,0,0|3,0,1]=4 527 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,0,0,0,0,0|3,0,0]=3 528 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,0,0,0,0,0|3,0,0]=3 529 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,0,0,0,0,0|3,0,0]=3 530 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,0,0,0,0,0|3,0,0]=3 531 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,0,0,0,0,0|3,0,0]=3 532 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,0,0,0,0,0|3,0,0]=3 533 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,0,0,0,0,0|3,0,0]=3 534 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,0,0,0,0,0|3,0,0]=3 535 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,0,0,0,0,0|3,0,0]=3 536 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,0,0,0,0,0|3,0,0]=3 537 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,0,0,0,0,0|3,0,0]=3 538 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,0,0,0,0,0|3,0,0]=3 539 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,0,0,0,0,0|3,0,0]=3 540 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,0,0,0,0,0|3,0,0]=3 541 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,0,0,0,0,0|3,0,0]=3 542 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,0,0,0,0,0|3,0,0]=3 543 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,0,0,0,0,0|3,0,0]=3 544 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,0,0,0,0,0|3,0,0]=3 545 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,0,0,0,0,0|3,0,0]=3 546 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,0,0,0,0,0|3,0,0]=3 547 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,0,0,0,0,0|3,0,0]=3 548 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,0,0,0,0,0|3,0,0]=3 549 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,0,0,0,0,0|3,0,0]=3 550 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,0,0,0,0,0|3,0,0]=3 551 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,0,0,0,0,0|3,0,0]=3 552 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,0,0,0,0,0|3,0,0]=3 553 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,0,0,0,0,0|3,0,0]=3 554 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,0,0,0,0,0|3,0,0]=3 555 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,0,0,0,0,0|3,0,0]=3 556 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,0,0,0,0,0|3,0,0]=3 557 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,0,0,0,0,0|3,0,0]=3 558 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,0,0,0,0,0|3,0,0]=3 559 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,0,0,0,0,0|3,0,0]=3 560 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,0,0,0,0,0|3,0,0]=3 561 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,0,0,0,0,0|3,0,0]=3 562 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,0,0,0,0,0|3,0,0]=3 563 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,0,0,0,0,0|3,0,0]=3 564 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,0,0,0,0,0|3,0,0]=3 565 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,0,0,0,0,0|3,0,0]=3 566 B10R0.1 CCNC(=O)NNCCOC 273464a_100015525214_100000741390 [0,0,0,0,0,0|4,0,0]=4 567 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,0,0,0,0,0|1,0,2]=3 568 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,0,0,0,0,0|1,0,0]=1 569 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [0,0,0,0,0,0|2,0,2]=4 570 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,0,0,0,0,0|1,0,2]=3 571 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,0,0,0,0,0|1,0,2]=3 572 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [0,0,0,0,0,0|2,0,2]=4 573 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [0,0,0,0,0,0|2,0,2]=4 574 B10R0.1 CCOC(=O)C=NNCCO 4a_100000210001_100000742314 [0,0,0,0,0,0|3,0,1]=4 575 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,0,0,0,0,0|1,0,0]=1 576 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,0,0,0,0,0|1,0,0]=1 577 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,0,0,0,0,0|1,0,0]=1 578 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,0,0,0,0,0|1,0,0]=1 579 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,0,0,0,0,0|1,0,0]=1 580 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,0,0,0,0,0|1,0,0]=1 581 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,0,0,0,0,0|1,0,0]=1 582 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,0,0,0,0,0|1,0,0]=1 583 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,0,0,0,0,0|2,0,0]=2 584 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,0,0,0,0,0|1,0,0]=1 585 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,0,0,0,0,0|1,0,0]=1 586 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,0,0,0,0,0|2,0,0]=2 587 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,0,0,0,0,0|2,0,0]=2 588 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,0,0,0,0,0|2,0,0]=2 589 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,0,0,0,0,0|2,0,0]=2 590 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,0,0,0,0,0|2,0,0]=2 591 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,0,0,0,0,0|2,0,0]=2 592 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,0,0,0,0,0|2,0,0]=2 593 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,0,0,0,0,0|2,0,1]=3 594 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,0,0,0,0,0|2,0,1]=3 595 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,0,0,0,0,0|2,0,1]=3 596 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,0,0,0,0,0|2,0,1]=3 597 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,0,0,0,0,0|2,0,0]=2 598 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,0,0,0,0,0|2,0,0]=2 599 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,0,0,0,0,0|2,0,0]=2 600 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,0,0,0,0,0|2,0,0]=2 601 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,0,0,0,0,0|2,0,0]=2 602 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,0,0,0,0,0|2,0,0]=2 603 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,0,0,0,0,0|2,0,0]=2 604 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,0,0,0,0,0|2,0,0]=2 605 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,0,0,0,0,0|2,0,0]=2 606 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,0,0,0,0,0|2,0,0]=2 607 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,0,0,0,0,0|2,0,0]=2 608 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,0,0,0,0,0|2,0,0]=2 609 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,0,0,0,0,0|2,0,0]=2 610 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,0,0,0,0,0|2,0,0]=2 611 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,0,0,0,0,0|2,0,0]=2 612 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,0,0,0,0,0|2,0,0]=2 613 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,0,0,0,0,0|2,0,0]=2 614 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,0,0,0,0,0|2,0,0]=2 615 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,0,0,0,0,0|2,0,0]=2 616 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,0,0,0,0,0|2,0,0]=2 617 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,0,0,0,0,0|2,0,0]=2 618 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,0,0,0,0,0|3,0,0]=3 619 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,0,0,0,0,0|2,0,0]=2 620 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,0,0,0,0,0|2,0,0]=2 621 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,0,0,0,0,0|2,0,0]=2 622 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,0,0,0,0,0|2,0,0]=2 623 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,0,0,0,0,0|2,0,0]=2 624 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,0,0,0,0,0|2,0,0]=2 625 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,0,0,0,0,0|2,0,1]=3 626 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,0,0,0,0,0|2,0,1]=3 627 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,0,0,0,0,0|2,0,0]=2 628 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,0,0,0,0,0|2,0,0]=2 629 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,0,0,0,0,0|2,0,0]=2 630 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,0,0,0,0,0|2,0,0]=2 631 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,0,0,0,0,0|2,0,0]=2 632 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,0,0,0,0,0|2,0,0]=2 633 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,0,0,0,0,0|2,0,0]=2 634 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,0,0,0,0,0|2,0,0]=2 635 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,0,0,0,0,0|2,0,0]=2 636 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,0,0,0,0,0|2,0,0]=2 637 B10R0.1 CCOC(=O)CSCSC#N 62a_100000188475_100000211825 [0,0,0,0,0,0|3,0,1]=4 638 B10R0.1 CCOC(=O)CSCSC#N 62a_100000211825_100000188475 [0,0,0,0,0,0|3,0,1]=4 639 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,0,0,0,0,0|3,0,0]=3 640 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,0,0,0,0,0|2,0,0]=2 641 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,0,0,0,0,0|3,0,0]=3 642 B10R0.1 CCOC(=O)NN=CCSC 62a_200000210301_100015372823 [0,0,0,0,0,0|3,0,1]=4 643 B10R0.1 CCOC(=O)NN=CCS[13CH3] 62a_200025704644_100015372823 [0,0,0,0,0,0|3,0,1]=4 644 B10R0.1 CCOC(=O)OCSCC#N 62a_100011215382_100000075025 [0,0,0,0,0,0|3,0,1]=4 645 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,0,0,0,0,0|3,0,1]=4 646 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,0,0,0,0,0|3,0,0]=3 647 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,0,0,0,0,0|3,0,0]=3 648 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,0,0,0,0,0|3,0,0]=3 649 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,0,0,0,0,0|3,0,0]=3 650 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,0,0,0,0,0|1,0,2]=3 651 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,0,0,0,0,0|3,0,1]=4 652 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,0,0,0,0,0|3,0,1]=4 653 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,0,0,0,0,0|3,0,1]=4 654 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,0,0,0,0,0|3,0,1]=4 655 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,0,0,0,0,0|3,0,0]=3 656 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,0,0,0,0,0|3,0,0]=3 657 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,0,0,0,0,0|3,0,0]=3 658 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,0,0,0,0,0|1,0,0]=1 659 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,0,0,0,0,0|1,0,0]=1 660 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,0,0,0,0,0|4,0,0]=4 661 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,0,0,0,0,0|4,0,0]=4 662 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,0,0,0,0,0|4,0,0]=4 663 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,0,0,0,0,0|4,0,0]=4 664 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,0,0,0,0,0|4,0,0]=4 665 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,0,0,0,0,0|4,0,0]=4 666 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,0,0,0,0,0|4,0,0]=4 667 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,0,0,0,0,0|4,0,0]=4 668 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,0,0,0,0,0|4,0,0]=4 669 B10R0.1 CCOCCNC(=O)NNC 273464a_102516460346_100016993582 [0,0,0,0,0,0|4,0,0]=4 670 B10R0.1 CCOCCNC(=O)NNC 512a_100011200944_100016993582 [0,0,0,0,0,0|4,0,0]=4 671 B10R0.1 CCOCCNC(=O)NNC 512a_100016993582_100011200944 [0,0,0,0,0,0|4,0,0]=4 672 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,0,0,0,0,0|2,0,0]=2 673 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,0,0,0,0,0|4,0,0]=4 674 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,0,0,0,0,0|4,0,0]=4 675 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,0,0,0,0,0|4,0,0]=4 676 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,0,0,0,0,0|4,0,0]=4 677 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,0,0,0,0,0|4,0,0]=4 678 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,0,0,0,0,0|4,0,0]=4 679 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,0,0,0,0,0|4,0,0]=4 680 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,0,0,0,0,0|4,0,0]=4 681 B10R0.1 CCOCSCC(=O)NCO 62a_100000185155_100000739092 [0,0,0,0,0,0|4,0,0]=4 682 B10R0.1 CCOCSCC(=O)NCO 62a_100000739092_100000185155 [0,0,0,0,0,0|4,0,0]=4 683 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,0,0,0,0,0|2,0,0]=2 684 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,0,0,0,0,0|2,0,0]=2 685 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,0,0,0,0,0|4,0,0]=4 686 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,0,0,0,0,0|4,0,0]=4 687 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,0,0,0,0,0|4,0,0]=4 688 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,0,0,0,0,0|4,0,0]=4 689 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,0,0,0,0,0|4,0,0]=4 690 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,0,0,0,0,0|4,0,0]=4 691 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,0,0,0,0,0|4,0,0]=4 692 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,0,0,0,0,0|4,0,0]=4 693 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,0,0,0,0,0|4,0,0]=4 694 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,0,0,0,0,0|4,0,0]=4 695 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,0,0,0,0,0|4,0,0]=4 696 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,0,0,0,0,0|4,0,0]=4 697 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,0,0,0,0,0|4,0,0]=4 698 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,0,0,0,0,0|4,0,0]=4 699 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,0,0,0,0,0|4,0,0]=4 700 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,0,0,0,0,0|3,0,0]=3 701 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [0,0,0,0,0,0|4,0,0]=4 702 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,0,0,0,0,0|4,0,0]=4 703 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,0,0,0,0,0|4,0,0]=4 704 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,0,0,0,0,0|4,0,0]=4 705 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,0,0,0,0,0|4,0,0]=4 706 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,0,0,0,0,0|4,0,0]=4 707 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,0,0,0,0,0|4,0,0]=4 708 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,0,0,0,0,0|4,0,0]=4 709 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,0,0,0,0,0|4,0,0]=4 710 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,0,0,0,0,0|4,0,0]=4 711 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,0,0,0,0,0|3,0,1]=4 712 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,0,0,0,0,0|3,0,0]=3 713 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,0,0,0,0,0|3,0,0]=3 714 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,0,0,0,0,0|4,0,0]=4 715 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,0,0,0,0,0|4,0,0]=4 716 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,0,0,0,0,0|4,0,0]=4 717 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,0,0,0,0,0|4,0,0]=4 718 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,0,0,0,0,0|4,0,0]=4 719 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,0,0,0,0,0|4,0,0]=4 720 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,0,0,0,0,0|4,0,0]=4 721 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,0,0,0,0,0|3,0,1]=4 722 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,0,0,0,0,0|3,0,1]=4 723 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,0,0,0,0,0|3,0,1]=4 724 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,0,0,0,0,0|3,0,1]=4 725 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,0,0,0,0,0|3,0,0]=3 726 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,0,0,0,0,0|3,0,0]=3 727 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,0,0,0,0,0|3,0,0]=3 728 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,0,0,0,0,0|4,0,0]=4 729 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,0,0,0,0,0|4,0,0]=4 730 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,0,0,0,0,0|4,0,0]=4 731 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,0,0,0,0,0|4,0,0]=4 732 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,0,0,0,0,0|4,0,0]=4 733 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,0,0,0,0,0|4,0,0]=4 734 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,0,0,0,0,0|4,0,0]=4 735 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,0,0,0,0,0|4,0,0]=4 736 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,0,0,0,0,0|4,0,0]=4 737 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,0,0,0,0,0|4,0,0]=4 738 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,0,0,0,0,0|4,0,0]=4 739 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,0,0,0,0,0|4,0,0]=4 740 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,0,0,0,0,0|4,0,0]=4 741 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,0,0,0,0,0|4,0,0]=4 742 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,0,0,0,0,0|4,0,0]=4 743 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,0,0,0,0,0|4,0,0]=4 744 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,0,0,0,0,0|3,0,1]=4 745 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,0,0,0,0,0|3,0,0]=3 746 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,0,0,0,0,0|3,0,0]=3 747 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,0,0,0,0,0|4,0,0]=4 748 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,0,0,0,0,0|4,0,0]=4 749 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,0,0,0,0,0|4,0,0]=4 750 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,0,0,0,0,0|4,0,0]=4 751 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,0,0,0,0,0|4,0,0]=4 752 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,0,0,0,0,0|4,0,0]=4 753 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,0,0,0,0,0|4,0,0]=4 754 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,0,0,0,0,0|4,0,0]=4 755 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,0,0,0,0,0|4,0,0]=4 756 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,0,0,0,0,0|4,0,0]=4 757 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,0,0,0,0,0|4,0,0]=4 758 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,0,0,0,0,0|4,0,0]=4 759 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,0,0,0,0,0|4,0,0]=4 760 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,0,0,0,0,0|3,0,1]=4 761 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,0,0,0,0,0|3,0,1]=4 762 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,0,0,0,0,0|3,0,1]=4 763 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,0,0,0,0,0|3,0,1]=4 764 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,0,0,0,0,0|4,0,0]=4 765 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,0,0,0,0,0|3,0,1]=4 766 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,0,0,0,0,0|3,0,1]=4 767 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,0,0,0,0,0|3,0,1]=4 768 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,0,0,0,0,0|3,0,1]=4 769 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,0,0,0,0,0|3,0,1]=4 770 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,0,0,0,0,0|3,0,1]=4 771 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,0,0,0,0,0|3,0,0]=3 772 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,0,0,0,0,0|4,0,0]=4 773 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,0,0,0,0,0|3,0,0]=3 774 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,0,0,0,0,0|3,0,0]=3 775 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,0,0,0,0,0|3,0,0]=3 776 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,0,0,0,0,0|4,0,0]=4 777 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,0,0,0,0,0|4,0,0]=4 778 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,0,0,0,0,0|4,0,0]=4 779 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,0,0,0,0,0|4,0,0]=4 780 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,0,0,0,0,0|4,0,0]=4 781 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,0,0,0,0,0|4,0,0]=4 782 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,0,0,0,0,0|4,0,0]=4 783 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,0,0,0,0,0|4,0,0]=4 784 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,0,0,0,0,0|4,0,0]=4 785 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,0,0,0,0,0|4,0,0]=4 786 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,0,0,0,0,0|4,0,0]=4 787 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,0,0,0,0,0|4,0,0]=4 788 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,0,0,0,0,0|1,0,2]=4 789 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,0,0,0,0,0|1,0,2]=4 790 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,0,0,0,0,0|1,0,2]=4 791 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,0,0,0,0,0|1,0,2]=4 792 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 793 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 794 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 795 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [1,0,0,0,0,0|1,0,2]=4 796 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [1,0,0,0,0,0|1,0,2]=4 797 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [1,0,0,0,0,0|1,0,2]=4 798 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,0,0,0,0|1,0,2]=4 799 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,0,0,0,0|1,0,2]=4 800 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,0,0,0,0,0|1,0,2]=4 801 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,0,0,0,0,0|1,0,2]=4 802 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 803 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 804 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 805 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,0,0,0,0,0|1,0,2]=4 806 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,0,0,0,0,0|1,0,2]=4 807 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,0,0,0,0,0|1,0,2]=4 808 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,0,0,0,0,0|1,0,2]=4 809 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [1,0,0,0,0,0|1,0,2]=4 810 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [1,0,0,0,0,0|1,0,2]=4 811 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [1,0,0,0,0,0|1,0,2]=4 812 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,0,0,0,0|1,0,1]=3 813 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [1,0,0,0,0,0|2,0,1]=4 814 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,0,0,0,0,0|2,0,1]=4 815 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [1,0,0,0,0,0|2,0,1]=4 816 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,0,0,0,0,0|2,0,1]=4 817 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [1,0,0,0,0,0|2,0,1]=4 818 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,0,0,0,0|1,0,2]=4 819 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 820 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 821 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 822 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,0,0,0,0|1,0,2]=4 823 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|1,0,1]=3 824 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,0,0,0,0,0|2,0,1]=4 825 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,0,0,0,0,0|2,0,1]=4 826 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,0,0,0,0,0|2,0,1]=4 827 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,0,0,0,0,0|2,0,1]=4 828 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,0,0,0,0,0|2,0,1]=4 829 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,0,0,0,0,0|2,0,1]=4 830 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,0,0,0,0,0|2,0,1]=4 831 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,0,0,0,0,0|2,0,1]=4 832 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,0,0,0,0|1,0,2]=4 833 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,0,0,0,0,0|1,0,2]=4 834 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,0,0,0,0,0|1,0,2]=4 835 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,0,0,0,0,0|2,0,1]=4 836 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,0,0,0,0,0|2,0,1]=4 837 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|2,0,0]=3 838 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|2,0,0]=3 839 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|2,0,0]=3 840 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|2,0,0]=3 841 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|2,0,0]=3 842 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|2,0,0]=3 843 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|2,0,0]=3 844 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|2,0,0]=3 845 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|2,0,0]=3 846 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|2,0,0]=3 847 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,0,0,0,0|3,0,0]=4 848 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,0,0,0,0|3,0,0]=4 849 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,0,0,0,0|3,0,0]=4 850 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,0,0,0,0|3,0,0]=4 851 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,0,0,0,0|3,0,0]=4 852 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,0,0,0,0|3,0,0]=4 853 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,0,0,0,0|3,0,0]=4 854 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,0,0,0,0|3,0,0]=4 855 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,0,0,0,0|3,0,0]=4 856 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,0,0,0,0|3,0,0]=4 857 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,0,0,0,0,0|3,0,0]=4 858 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,0,0,0,0,0|3,0,0]=4 859 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,0,0,0,0,0|3,0,0]=4 860 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,0,0,0,0,0|3,0,0]=4 861 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,0,0,0,0,0|3,0,0]=4 862 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,0,0,0,0,0|3,0,0]=4 863 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 864 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 865 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,0,0,0,0,0|3,0,0]=4 866 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 867 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 868 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 869 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,0,0,0,0,0|3,0,0]=4 870 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,0,0,0,0,0|3,0,0]=4 871 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,0,0,0,0|3,0,0]=4 872 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,0,0,0,0,0|3,0,0]=4 873 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,0,0,0,0|1,0,2]=4 874 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,0,0,0,0|1,0,2]=4 875 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,0,0,0,0|1,0,2]=4 876 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,0,0,0,0,0|2,0,1]=4 877 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,0,0,0,0,0|2,0,1]=4 878 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,0,0,0,0,0|2,0,1]=4 879 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,0,0,0,0,0|2,0,1]=4 880 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,0,0,0,0,0|2,0,1]=4 881 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|1,0,0]=2 882 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|1,0,0]=2 883 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|2,0,0]=3 884 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|2,0,0]=3 885 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|2,0,0]=3 886 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|2,0,0]=3 887 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|2,0,0]=3 888 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|2,0,0]=3 889 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|2,0,0]=3 890 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|2,0,0]=3 891 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|2,0,0]=3 892 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|2,0,0]=3 893 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|2,0,0]=3 894 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|2,0,0]=3 895 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|2,0,0]=3 896 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 897 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 898 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 899 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,0,0,0,0|2,0,0]=3 900 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,0,0,0,0,0|2,0,1]=4 901 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,0,0,0,0,0|2,0,1]=4 902 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,0,0,0,0,0|2,0,1]=4 903 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,0,0,0,0,0|1,0,1]=3 904 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,0,0,0,0,0|1,0,1]=3 905 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,0,0,0,0,0|1,0,1]=3 906 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,0,0,0,0,0|2,0,1]=4 907 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,0,0,0,0,0|2,0,1]=4 908 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,0,0,0,0,0|1,1,1]=4 909 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,0,0,0,0,0|1,1,1]=4 910 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,0,0,0,0,0|3,0,0]=4 911 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,0,0,0,0,0|3,0,0]=4 912 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,0,0,0,0,0|3,0,0]=4 913 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,0,0,0,0,0|3,0,0]=4 914 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,0,0,0,0,0|3,0,0]=4 915 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,0,0,0,0,0|3,0,0]=4 916 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,0,0,0,0,0|3,0,0]=4 917 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,0,0,0,0,0|3,0,0]=4 918 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|2,0,0]=3 919 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|2,0,0]=3 920 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|2,0,0]=3 921 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|2,0,0]=3 922 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,0,0,0,0|3,0,0]=4 923 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,0,0,0,0,0|3,0,0]=4 924 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,0,0,0,0,0|3,0,0]=4 925 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,0,0,0,0,0|3,0,0]=4 926 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,0,0,0,0,0|3,0,0]=4 927 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,0,0,0,0,0|3,0,0]=4 928 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,0,0,0,0,0|3,0,0]=4 929 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,0,0,0,0,0|3,0,0]=4 930 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,0,0,0,0,0|3,0,0]=4 931 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,0,0,0,0,0|3,0,0]=4 932 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,0,0,0,0,0|3,0,0]=4 933 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,0,0,0,0,0|3,0,0]=4 934 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,0,0,0,0,0|3,0,0]=4 935 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,0,0,0,0,0|3,0,0]=4 936 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,0,0,0,0,0|3,0,0]=4 937 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,0,0,0,0,0|3,0,0]=4 938 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,0,0,0,0,0|3,0,0]=4 939 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 940 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 941 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 942 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 943 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 944 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 945 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 946 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 947 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,0,0,0,0,0|3,0,0]=4 948 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,0,0,0,0,0|3,0,0]=4 949 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,0,0,0,0,0|3,0,0]=4 950 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,0,0,0,0,0|3,0,0]=4 951 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,0,0,0,0,0|3,0,0]=4 952 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,0,0,0,0,0|3,0,0]=4 953 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,0,0,0,0,0|3,0,0]=4 954 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,0,0,0,0,0|3,0,0]=4 955 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,0,0,0,0,0|3,0,0]=4 956 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|2,0,0]=3 957 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,0,0,0,0,0|3,0,0]=4 958 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 959 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,0,0,0,0,0|3,0,0]=4 960 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 961 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|2,0,0]=3 962 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,0,0,0,0|3,0,0]=4 963 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|3,0,0]=4 964 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 965 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 966 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|2,0,0]=3 967 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 968 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,0,0,0,0,0|3,0,0]=4 969 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [1,0,0,0,0,0|3,0,0]=4 970 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|1,0,0]=2 971 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|2,0,0]=3 972 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|2,0,0]=3 973 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|2,0,0]=3 974 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,0,0,0,0|3,0,0]=4 975 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|3,0,0]=4 976 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 977 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 978 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 979 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|2,0,0]=3 980 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|2,0,0]=3 981 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,0,0,0,0,0|3,0,0]=4 982 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,0,0,0,0,0|3,0,0]=4 983 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [1,0,0,0,0,0|3,0,0]=4 984 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|1,0,0]=2 985 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|1,0,0]=2 986 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 987 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 988 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 989 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 990 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 991 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 992 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 993 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 994 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 995 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [1,0,0,0,0,0|3,0,0]=4 996 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 997 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 998 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 999 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1000 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1001 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1002 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|2,0,0]=3 1003 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|2,0,0]=3 1004 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [1,0,0,0,0,0|3,0,0]=4 1005 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [1,0,0,0,0,0|3,0,0]=4 1006 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [1,0,0,0,0,0|3,0,0]=4 1007 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [1,0,0,0,0,0|3,0,0]=4 1008 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,0,0,0,0,0|3,0,0]=4 1009 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,0,0,0,0,0|3,0,0]=4 1010 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,0,0,0,0,0|3,0,0]=4 1011 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,0,0,0,0,0|3,0,0]=4 1012 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,0,0,0,0,0|3,0,0]=4 1013 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 1014 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [1,0,0,0,0,0|3,0,0]=4 1015 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,0,0,0,0,0|3,0,0]=4 1016 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [1,0,0,0,0,0|3,0,0]=4 1017 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [1,0,0,0,0,0|3,0,0]=4 1018 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,0,0,0,0,0|3,0,0]=4 1019 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 1020 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,0,0,0,0,0|3,0,0]=4 1021 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,0,0,0,0,0|3,0,0]=4 1022 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,0,0,0,0,0|3,0,0]=4 1023 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,0,0,0,0,0|3,0,0]=4 1024 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1025 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1026 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1027 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1028 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1029 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1030 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1031 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,0,0,0,0,0|3,0,0]=4 1032 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1033 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1034 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1035 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,0,0,0,0,0|3,0,0]=4 1036 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1037 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1038 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1039 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1040 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1041 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1042 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1043 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|2,0,0]=3 1044 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|2,0,0]=3 1045 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|1,0,0]=2 1046 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,0,0,0,0,0|2,0,1]=4 1047 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,0,0,0,0,0|1,0,2]=4 1048 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,0,0,0,0,0|1,0,2]=4 1049 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,0,0,0,0,0|1,0,2]=4 1050 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,0,0,0,0,0|1,0,2]=4 1051 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,0,0,0,0,0|1,0,2]=4 1052 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,0,0,0,0,0|1,0,2]=4 1053 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,0,0,0,0,0|1,0,2]=4 1054 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,0,0,0,0,0|1,0,2]=4 1055 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|1,0,0]=2 1056 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|1,0,0]=2 1057 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|1,0,0]=2 1058 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|1,0,0]=2 1059 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|1,0,0]=2 1060 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|1,0,0]=2 1061 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|1,0,0]=2 1062 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|1,0,0]=2 1063 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|1,0,0]=2 1064 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|1,0,0]=2 1065 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|1,0,0]=2 1066 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|1,0,0]=2 1067 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,0,0,0,0,0|2,0,0]=3 1068 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,0,0,0,0,0|2,0,0]=3 1069 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,0,0,0,0,0|2,0,0]=3 1070 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,0,0,0,0,0|2,0,0]=3 1071 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,0,0,0,0,0|2,0,0]=3 1072 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,0,0,0,0,0|2,0,0]=3 1073 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,0,0,0,0,0|2,0,0]=3 1074 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [1,0,0,0,0,0|2,0,1]=4 1075 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [1,0,0,0,0,0|2,0,1]=4 1076 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,0,0,0,0,0|2,0,1]=4 1077 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,0,0,0,0,0|2,0,1]=4 1078 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,0,0,0,0,0|2,0,0]=3 1079 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,0,0,0,0,0|2,0,0]=3 1080 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,0,0,0,0,0|2,0,0]=3 1081 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,0,0,0,0,0|2,0,0]=3 1082 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,0,0,0,0,0|2,0,0]=3 1083 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,0,0,0,0,0|2,0,0]=3 1084 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,0,0,0,0,0|2,0,0]=3 1085 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,0,0,0,0,0|2,0,0]=3 1086 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,0,0,0,0|2,0,0]=3 1087 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,0,0,0,0|2,0,0]=3 1088 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,0,0,0,0|2,0,0]=3 1089 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,0,0,0,0|2,0,0]=3 1090 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,0,0,0,0|2,0,0]=3 1091 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|2,0,0]=3 1092 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,0,0,0,0,0|3,0,0]=4 1093 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,0,0,0,0,0|2,0,1]=4 1094 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,0,0,0,0,0|2,0,1]=4 1095 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|3,0,0]=4 1096 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|3,0,0]=4 1097 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|3,0,0]=4 1098 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|3,0,0]=4 1099 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|3,0,0]=4 1100 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,0,0,0,0,0|3,0,0]=4 1101 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|1,0,0]=2 1102 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,0,0,0,0|3,0,0]=4 1103 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|3,0,0]=4 1104 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|3,0,0]=4 1105 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,0,0,0,0|3,0,0]=4 1106 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,0,0,0,0|3,0,0]=4 1107 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [1,0,0,0,0,0|3,0,0]=4 1108 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [1,0,0,0,0,0|3,0,0]=4 1109 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [1,0,0,0,0,0|3,0,0]=4 1110 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,0,0,0,0|3,0,0]=4 1111 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,0,0,0,0|3,0,0]=4 1112 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,0,0,0,0|3,0,0]=4 1113 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|3,0,0]=4 1114 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|3,0,0]=4 1115 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,0,0,0,0|3,0,0]=4 1116 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,0,0,0,0|3,0,0]=4 1117 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,0,0,0,0|3,0,0]=4 1118 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,0,0,0,0|3,0,0]=4 1119 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,0,0,0,0|3,0,0]=4 1120 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|3,0,0]=4 1121 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,0,0,0,0|3,0,0]=4 1122 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|3,0,0]=4 1123 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|3,0,0]=4 1124 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|3,0,0]=4 1125 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,0,0,0,0,0|0,0,3]=4 1126 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,0,0,0,0,0|0,0,3]=4 1127 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,0,0,0,0,0|0,0,3]=4 1128 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|0,0,3]=4 1129 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|0,0,3]=4 1130 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|0,0,3]=4 1131 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,0,0,0,0,0|2,0,0]=3 1132 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,0,0,0,0,0|2,0,0]=3 1133 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [1,0,0,0,0,0|3,0,0]=4 1134 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [1,0,0,0,0,0|3,0,0]=4 1135 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,0,0,0,0,0|2,0,0]=3 1136 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,0,0,0,0,0|2,0,0]=3 1137 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,0,0,0,0,0|2,0,0]=3 1138 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,0,0,0,0,0|2,0,0]=3 1139 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [1,0,0,0,0,0|3,0,0]=4 1140 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,0,0,0,0,0|3,0,0]=4 1141 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,0,0,0,0,0|3,0,0]=4 1142 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,0,0,0,0,0|3,0,0]=4 1143 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|2,0,0]=3 1144 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|2,0,0]=3 1145 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|2,0,0]=3 1146 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,0,0,0,0,0|3,0,0]=4 1147 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,0,0,0,0,0|3,0,0]=4 1148 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,0,0,0,0,0|3,0,0]=4 1149 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,0,0,0,0,0|3,0,0]=4 1150 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,0,0,0,0,0|3,0,0]=4 1151 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,0,0,0,0,0|3,0,0]=4 1152 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,0,0,0,0,0|2,0,0]=3 1153 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,0,0,0,0,0|2,0,0]=3 1154 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [1,0,0,0,0,0|3,0,0]=4 1155 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [1,0,0,0,0,0|3,0,0]=4 1156 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,0,0,0,0,0|3,0,0]=4 1157 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,0,0,0,0,0|3,0,0]=4 1158 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [1,0,0,0,0,0|3,0,0]=4 1159 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [1,0,0,0,0,0|3,0,0]=4 1160 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [1,0,0,0,0,0|3,0,0]=4 1161 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [1,0,0,0,0,0|3,0,0]=4 1162 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,0,0,0,0,0|2,0,0]=3 1163 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,0,0,0,0,0|2,0,0]=3 1164 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [1,0,0,0,0,0|3,0,0]=4 1165 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [1,0,0,0,0,0|3,0,0]=4 1166 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [1,0,0,0,0,0|3,0,0]=4 1167 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [1,0,0,0,0,0|3,0,0]=4 1168 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [1,0,0,0,0,0|3,0,0]=4 1169 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,0,0,0,0,0|2,0,0]=3 1170 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,0,0,0,0,0|2,0,0]=3 1171 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,0,0,0,0,0|2,0,0]=3 1172 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [1,0,0,0,0,0|3,0,0]=4 1173 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [1,0,0,0,0,0|3,0,0]=4 1174 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [1,0,0,0,0,0|3,0,0]=4 1175 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [1,0,0,0,0,0|3,0,0]=4 1176 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,0,0,0,0,0|3,0,0]=4 1177 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [1,0,0,0,0,0|3,0,0]=4 1178 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [1,0,0,0,0,0|3,0,0]=4 1179 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [1,0,0,0,0,0|3,0,0]=4 1180 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [1,0,0,0,0,0|3,0,0]=4 1181 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [1,0,0,0,0,0|3,0,0]=4 1182 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,0,0,0,0,0|2,0,0]=3 1183 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,0,0,0,0,0|2,0,0]=3 1184 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [1,0,0,0,0,0|3,0,0]=4 1185 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [1,0,0,0,0,0|3,0,0]=4 1186 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,0,0,0,0,0|3,0,0]=4 1187 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,0,0,0,0,0|3,0,0]=4 1188 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [1,0,0,0,0,0|3,0,0]=4 1189 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [1,0,0,0,0,0|3,0,0]=4 1190 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [1,0,0,0,0,0|3,0,0]=4 1191 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [1,0,0,0,0,0|3,0,0]=4 1192 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [1,0,0,0,0,0|3,0,0]=4 1193 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [1,0,0,0,0,0|3,0,0]=4 1194 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,0,0,0,0,0|2,0,1]=4 1195 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,0,0,0,0,0|2,0,1]=4 1196 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,0,0,0,0,0|2,0,1]=4 1197 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [1,0,0,0,0,0|2,0,1]=4 1198 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [1,0,0,0,0,0|2,0,1]=4 1199 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [1,0,0,0,0,0|2,0,1]=4 1200 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [1,0,0,0,0,0|2,0,1]=4 1201 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [1,0,0,0,0,0|2,0,1]=4 1202 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [1,0,0,0,0,0|2,0,1]=4 1203 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [1,0,0,0,0,0|2,0,1]=4 1204 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,0,0,0,0|2,0,1]=4 1205 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,0,0,0,0|2,0,1]=4 1206 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|3,0,0]=4 1207 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,0,0,0,0,0|0,0,3]=4 1208 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,0,0,0,0,0|0,0,3]=4 1209 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,0,0,0,0,0|0,0,3]=4 1210 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,0,0,0,0,0|0,0,3]=4 1211 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,0,0,0,0,0|3,0,0]=4 1212 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [1,0,0,0,0,0|0,0,3]=4 1213 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [1,0,0,0,0,0|0,0,3]=4 1214 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|2,0,1]=4 1215 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|2,0,1]=4 1216 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|2,0,1]=4 1217 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|2,0,1]=4 1218 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,0,0,0,0,0|2,0,1]=4 1219 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|2,0,1]=4 1220 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|2,0,1]=4 1221 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|2,0,1]=4 1222 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|2,0,1]=4 1223 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|2,0,1]=4 1224 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|2,0,1]=4 1225 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|2,0,1]=4 1226 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|2,0,1]=4 1227 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|2,0,1]=4 1228 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|2,0,1]=4 1229 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|2,0,1]=4 1230 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|2,0,1]=4 1231 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|2,0,1]=4 1232 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|2,0,1]=4 1233 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|2,0,1]=4 1234 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|2,0,1]=4 1235 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|1,0,1]=3 1236 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|1,0,1]=3 1237 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|0,0,1]=2 1238 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|0,0,1]=2 1239 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|0,0,1]=2 1240 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,0,0,0,0,0|1,0,1]=3 1241 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,0,0,0,0,0|1,0,1]=3 1242 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|0,1,1]=3 1243 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|0,1,1]=3 1244 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [1,0,0,0,0,0|1,1,1]=4 1245 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [1,0,0,0,0,0|1,1,1]=4 1246 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|2,0,0]=3 1247 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|3,0,0]=4 1248 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|3,0,0]=4 1249 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|3,0,0]=4 1250 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|3,0,0]=4 1251 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|3,0,0]=4 1252 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|3,0,0]=4 1253 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|3,0,0]=4 1254 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|3,0,0]=4 1255 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|2,0,0]=3 1256 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|2,0,0]=3 1257 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|2,0,0]=3 1258 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|3,0,0]=4 1259 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|3,0,0]=4 1260 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|3,0,0]=4 1261 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|3,0,0]=4 1262 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|3,0,0]=4 1263 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|3,0,0]=4 1264 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|2,0,0]=3 1265 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|2,0,0]=3 1266 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|3,0,0]=4 1267 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|3,0,0]=4 1268 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|3,0,0]=4 1269 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|3,0,0]=4 1270 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|3,0,0]=4 1271 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|3,0,0]=4 1272 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|3,0,0]=4 1273 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|3,0,0]=4 1274 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|2,0,1]=4 1275 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|2,0,1]=4 1276 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|2,0,1]=4 1277 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|2,0,1]=4 1278 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|2,0,1]=4 1279 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|2,0,1]=4 1280 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|2,0,1]=4 1281 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|2,0,1]=4 1282 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|2,0,1]=4 1283 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|1,0,1]=3 1284 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|1,0,1]=3 1285 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|1,0,1]=3 1286 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|1,0,1]=3 1287 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|1,0,1]=3 1288 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|1,0,1]=3 1289 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|1,1,1]=4 1290 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|1,1,1]=4 1291 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|1,1,1]=4 1292 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|2,0,1]=4 1293 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|1,0,1]=3 1294 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|1,0,1]=3 1295 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|1,0,1]=3 1296 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|1,0,1]=3 1297 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|1,0,1]=3 1298 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|1,0,1]=3 1299 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|1,0,1]=3 1300 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,0,0,0,0,0|2,0,1]=4 1301 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,0,0,0,0,0|2,0,1]=4 1302 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|1,1,1]=4 1303 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|1,1,1]=4 1304 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|1,1,1]=4 1305 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|1,1,1]=4 1306 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|1,1,1]=4 1307 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|1,1,1]=4 1308 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,0,0,0,0,0|3,0,0]=4 1309 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,0,0,0,0,0|3,0,0]=4 1310 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,0,0,0,0,0|3,0,0]=4 1311 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|2,0,1]=4 1312 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|1,0,1]=3 1313 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|1,0,1]=3 1314 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|1,0,1]=3 1315 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|1,0,1]=3 1316 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,0,0,0,0,0|2,0,1]=4 1317 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,0,0,0,0,0|2,0,1]=4 1318 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|1,1,1]=4 1319 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|1,1,1]=4 1320 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|3,0,0]=4 1321 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|3,0,0]=4 1322 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|1,0,1]=3 1323 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|1,0,1]=3 1324 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,0,0,0,0|3,0,0]=4 1325 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,0,0,0,0|3,0,0]=4 1326 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,0,0,0,0,0|3,0,0]=4 1327 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|3,0,0]=4 1328 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|3,0,0]=4 1329 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 1330 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 1331 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|3,0,0]=4 1332 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|3,0,0]=4 1333 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|3,0,0]=4 1334 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|3,0,0]=4 1335 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|3,0,0]=4 1336 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|3,0,0]=4 1337 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|3,0,0]=4 1338 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|3,0,0]=4 1339 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|3,0,0]=4 1340 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|2,0,1]=4 1341 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|2,0,1]=4 1342 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|1,0,1]=3 1343 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|1,0,1]=3 1344 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|1,0,1]=3 1345 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|1,1,1]=4 1346 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|1,1,1]=4 1347 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,0,0,0,0|3,0,0]=4 1348 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,0,0,0,0|3,0,0]=4 1349 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,0,0,0,0|3,0,0]=4 1350 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,0,0,0,0|3,0,0]=4 1351 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,0,0,0,0|3,0,0]=4 1352 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,0,0,0,0|3,0,0]=4 1353 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,0,0,0,0|3,0,0]=4 1354 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|3,0,0]=4 1355 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|3,0,0]=4 1356 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|3,0,0]=4 1357 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|3,0,0]=4 1358 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|3,0,0]=4 1359 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|3,0,0]=4 1360 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|1,0,1]=3 1361 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|1,0,1]=3 1362 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,0,0,0,0,0|2,0,1]=4 1363 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 1364 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,0,0,0,0,0|2,0,1]=4 1365 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,0,0,0,0,0|2,0,1]=4 1366 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,0,0,0,0,0|2,0,1]=4 1367 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,0,0,0,0,0|2,0,1]=4 1368 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,0,0,0,0,0|1,0,1]=3 1369 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,0,0,0,0,0|1,0,1]=3 1370 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,0,0,0,0,0|1,0,1]=3 1371 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,0,0,0,0,0|1,0,1]=3 1372 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,0,0,0,0,0|1,0,1]=3 1373 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,0,0,0,0,0|1,0,1]=3 1374 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,0,0,0,0,0|1,0,1]=3 1375 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,0,0,0,0,0|1,0,1]=3 1376 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,0,0,0,0,0|1,0,1]=3 1377 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,0,0,0,0,0|1,0,1]=3 1378 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,0,0,0,0,0|2,0,1]=4 1379 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,0,0,0,0,0|2,0,1]=4 1380 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,0,0,0,0,0|2,0,1]=4 1381 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,0,0,0,0,0|2,0,1]=4 1382 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,0,0,0,0,0|2,0,1]=4 1383 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,0,0,0,0,0|2,0,1]=4 1384 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,0,0,0,0,0|2,0,1]=4 1385 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,0,0,0,0,0|2,0,1]=4 1386 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [1,0,0,0,0,0|2,0,1]=4 1387 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [1,0,0,0,0,0|2,0,1]=4 1388 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,0,0,0,0,0|2,0,1]=4 1389 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,0,0,0,0,0|2,0,1]=4 1390 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,0,0,0,0,0|2,0,1]=4 1391 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,0,0,0,0,0|2,0,1]=4 1392 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 1393 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 1394 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,0,0,0,0,0|2,0,1]=4 1395 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,0,0,0,0,0|2,0,1]=4 1396 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,0,0,0,0,0|2,0,1]=4 1397 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,0,0,0,0,0|2,0,1]=4 1398 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,0,0,0,0,0|2,0,1]=4 1399 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,0,0,0,0,0|2,0,1]=4 1400 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,0,0,0,0,0|2,0,1]=4 1401 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [1,0,0,0,0,0|2,0,1]=4 1402 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [1,0,0,0,0,0|2,0,1]=4 1403 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,0,0,0,0,0|2,0,1]=4 1404 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,0,0,0,0,0|2,0,1]=4 1405 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,0,0,0,0,0|2,0,1]=4 1406 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,0,0,0,0,0|2,0,1]=4 1407 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,0,0,0,0,0|2,0,1]=4 1408 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,0,0,0,0,0|2,0,1]=4 1409 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,0,0,0,0,0|2,0,1]=4 1410 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,0,0,0,0,0|2,0,1]=4 1411 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,0,0,0,0,0|2,0,1]=4 1412 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [1,0,0,0,0,0|2,0,1]=4 1413 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [1,0,0,0,0,0|2,0,1]=4 1414 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [1,0,0,0,0,0|2,0,1]=4 1415 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,0,0,0,0,0|2,0,1]=4 1416 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,0,0,0,0,0|2,0,1]=4 1417 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,0,0,0,0,0|2,0,1]=4 1418 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,0,0,0,0,0|2,0,1]=4 1419 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,0,0,0,0,0|2,0,1]=4 1420 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,0,0,0,0,0|2,0,1]=4 1421 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,0,0,0,0,0|2,0,1]=4 1422 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,0,0,0,0,0|2,0,1]=4 1423 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,0,0,0,0,0|2,0,1]=4 1424 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,0,0,0,0,0|2,0,1]=4 1425 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,0,0,0,0,0|2,0,1]=4 1426 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,0,0,0,0,0|2,0,1]=4 1427 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,0,0,0,0,0|2,0,1]=4 1428 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,0,0,0,0,0|2,0,1]=4 1429 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,0,0,0,0,0|2,0,1]=4 1430 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,0,0,0,0,0|2,0,1]=4 1431 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,0,0,0,0,0|2,0,1]=4 1432 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,0,0,0,0,0|2,0,1]=4 1433 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,0,0,0,0,0|2,0,1]=4 1434 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1435 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,0,0,0,0,0|2,0,1]=4 1436 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,0,0,0,0,0|2,0,1]=4 1437 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,0,0,0,0,0|2,0,1]=4 1438 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,0,0,0,0,0|2,0,1]=4 1439 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,0,0,0,0,0|2,0,1]=4 1440 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,0,0,0,0,0|2,0,1]=4 1441 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,0,0,0,0,0|2,0,1]=4 1442 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,0,0,0,0,0|2,0,1]=4 1443 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,0,0,0,0,0|2,0,1]=4 1444 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,0,0,0,0,0|2,0,1]=4 1445 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,0,0,0,0,0|2,0,1]=4 1446 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,0,0,0,0,0|2,0,1]=4 1447 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,0,0,0,0,0|2,0,1]=4 1448 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,0,0,0,0,0|2,0,1]=4 1449 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,0,0,0,0,0|2,0,1]=4 1450 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,0,0,0,0,0|2,0,1]=4 1451 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,0,0,0,0,0|2,0,1]=4 1452 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,0,0,0,0,0|2,0,1]=4 1453 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,0,0,0,0,0|2,0,1]=4 1454 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,0,0,0,0,0|2,0,1]=4 1455 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,0,0,0,0,0|2,0,1]=4 1456 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [1,0,0,0,0,0|2,0,1]=4 1457 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [1,0,0,0,0,0|2,0,1]=4 1458 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [1,0,0,0,0,0|2,0,1]=4 1459 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [1,0,0,0,0,0|2,0,1]=4 1460 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,0,0,0,0,0|2,0,1]=4 1461 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,0,0,0,0,0|2,0,1]=4 1462 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,0,0,0,0,0|2,0,1]=4 1463 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,0,0,0,0,0|2,0,1]=4 1464 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,0,0,0,0,0|2,0,1]=4 1465 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,0,0,0,0,0|2,0,1]=4 1466 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [1,0,0,0,0,0|2,0,1]=4 1467 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [1,0,0,0,0,0|2,0,1]=4 1468 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,0,0,0,0,0|1,1,1]=4 1469 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,0,0,0,0,0|1,1,1]=4 1470 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,0,0,0,0,0|1,1,1]=4 1471 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,0,0,0,0,0|1,1,1]=4 1472 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,0,0,0,0,0|2,0,1]=4 1473 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,0,0,0,0,0|2,0,1]=4 1474 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,0,0,0,0,0|2,0,1]=4 1475 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,0,0,0,0,0|2,0,1]=4 1476 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,0,0,0,0,0|2,0,1]=4 1477 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,0,0,0,0,0|2,0,1]=4 1478 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,0,0,0,0,0|2,0,1]=4 1479 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,0,0,0,0,0|2,0,1]=4 1480 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [1,0,0,0,0,0|0,0,2]=3 1481 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [1,0,0,0,0,0|1,0,2]=4 1482 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [1,0,0,0,0,0|1,0,2]=4 1483 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [1,0,0,0,0,0|1,0,2]=4 1484 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [1,0,0,0,0,0|1,0,2]=4 1485 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [1,0,0,0,0,0|1,0,2]=4 1486 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [1,0,0,0,0,0|1,0,2]=4 1487 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [1,0,0,0,0,0|0,0,2]=3 1488 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [1,0,0,0,0,0|0,0,2]=3 1489 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [1,0,0,0,0,0|1,0,2]=4 1490 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [1,0,0,0,0,0|1,0,2]=4 1491 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [1,0,0,0,0,0|1,0,2]=4 1492 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1493 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1494 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [1,0,0,0,0,0|1,0,2]=4 1495 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 1496 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 1497 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 1498 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [1,0,0,0,0,0|1,0,2]=4 1499 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [1,0,0,0,0,0|1,0,2]=4 1500 B9R0.46 C#CCCOCC(=O)CC 34a_100000725409_100000688953 [1,0,0,0,0,0|1,0,2]=4 1501 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [1,0,0,0,0,0|1,0,2]=4 1502 B9R0.46 C#CCCSCC(=O)CC 62a_100000688953_100000747405 [1,0,0,0,0,0|1,0,2]=4 1503 B9R0.46 C#CCCSCC(=O)CC 62a_100000747405_100000688953 [1,0,0,0,0,0|1,0,2]=4 1504 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [1,0,0,0,0,0|1,0,2]=4 1505 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [1,0,0,0,0,0|1,0,2]=4 1506 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [1,0,0,0,0,0|1,0,2]=4 1507 B9R0.46 C#CCOCCC(=O)CC 1458a_100000210414_100010402529 [1,0,0,0,0,0|1,0,2]=4 1508 B9R0.46 C#CCOCCC(=O)CC 1458a_100000693358_100000210202 [1,0,0,0,0,0|1,0,2]=4 1509 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [1,0,0,0,0,0|1,0,2]=4 1510 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [1,0,0,0,0,0|1,0,2]=4 1511 B9R0.46 C/C=C/COCC(=O)CC 34a_100000725409_100102629194 [1,0,0,0,0,0|1,0,2]=4 1512 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [1,0,0,0,0,0|1,0,2]=4 1513 B9R0.46 C/C=C/CSCC(=O)CC 62a_100000747405_100102629194 [1,0,0,0,0,0|1,0,2]=4 1514 B9R0.46 C/C=C/CSCC(=O)CC 62a_100102629194_100000747405 [1,0,0,0,0,0|1,0,2]=4 1515 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [1,0,0,0,0,0|1,0,2]=4 1516 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [1,0,0,0,0,0|1,0,2]=4 1517 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [1,0,0,0,0,0|0,0,2]=3 1518 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [1,0,0,0,0,0|1,0,2]=4 1519 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [1,0,0,0,0,0|1,0,2]=4 1520 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [1,0,0,0,0,0|1,0,2]=4 1521 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [1,0,0,0,0,0|1,0,2]=4 1522 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [1,0,0,0,0,0|1,0,2]=4 1523 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [1,0,0,0,0,0|1,0,2]=4 1524 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [1,0,0,0,0,0|1,0,2]=4 1525 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [1,0,0,0,0,0|1,0,2]=4 1526 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [1,0,0,0,0,0|0,0,2]=3 1527 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [1,0,0,0,0,0|0,0,2]=3 1528 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [1,0,0,0,0,0|1,0,2]=4 1529 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [1,0,0,0,0,0|1,0,2]=4 1530 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [1,0,0,0,0,0|1,0,2]=4 1531 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1532 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1533 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [1,0,0,0,0,0|1,0,2]=4 1534 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 1535 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 1536 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 1537 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [1,0,0,0,0,0|1,0,2]=4 1538 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [1,0,0,0,0,0|1,0,2]=4 1539 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [1,0,0,0,0,0|1,0,2]=4 1540 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [1,0,0,0,0,0|1,0,2]=4 1541 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [1,0,0,0,0,0|1,0,2]=4 1542 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [1,0,0,0,0,0|1,0,2]=4 1543 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [1,0,0,0,0,0|1,0,2]=4 1544 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [1,0,0,0,0,0|1,0,2]=4 1545 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [1,0,0,0,0,0|1,0,2]=4 1546 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [1,0,0,0,0,0|1,0,2]=4 1547 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [1,0,0,0,0,0|1,0,2]=4 1548 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [1,0,0,0,0,0|1,0,2]=4 1549 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [1,0,0,0,0,0|1,0,2]=4 1550 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [1,0,0,0,0,0|1,0,2]=4 1551 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [1,0,0,0,0,0|1,0,2]=4 1552 B9R0.46 CC#CCOCC(=O)CC 34a_100000725409_100000748600 [1,0,0,0,0,0|1,0,2]=4 1553 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [1,0,0,0,0,0|1,0,2]=4 1554 B9R0.46 CC#CCSCC(=O)CC 62a_100000747405_100000748600 [1,0,0,0,0,0|1,0,2]=4 1555 B9R0.46 CC#CCSCC(=O)CC 62a_100000748600_100000747405 [1,0,0,0,0,0|1,0,2]=4 1556 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [1,0,0,0,0,0|1,0,2]=4 1557 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [1,0,0,0,0,0|1,0,2]=4 1558 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,0,0,0,0,0|0,0,2]=3 1559 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [1,0,0,0,0,0|1,0,2]=4 1560 B9R0.46 CC=CCOCC(=O)CC 34a_100000725409_100000070051 [1,0,0,0,0,0|1,0,2]=4 1561 B9R0.46 CC=CCSCC(=O)CC 62a_100000070051_100000747405 [1,0,0,0,0,0|1,0,2]=4 1562 B9R0.46 CC=CCSCC(=O)CC 62a_100000747405_100000070051 [1,0,0,0,0,0|1,0,2]=4 1563 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [1,0,0,0,0,0|1,0,2]=4 1564 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [1,0,0,0,0,0|1,0,2]=4 1565 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [1,0,0,0,0,0|1,0,1]=3 1566 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [1,0,0,0,0,0|1,0,0]=2 1567 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [1,0,0,0,0,0|1,0,0]=2 1568 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [1,0,0,0,0,0|1,0,0]=2 1569 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [1,0,0,0,0,0|1,0,0]=2 1570 B9R0.46 CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210202 [1,0,0,0,0,0|3,0,0]=4 1571 B9R0.46 CCC(=O)CCOCC#N 1458a_100000210414_200000047693 [1,0,0,0,0,0|2,0,1]=4 1572 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [1,0,0,0,0,0|2,0,0]=3 1573 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [1,0,0,0,0,0|2,0,0]=3 1574 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [1,0,0,0,0,0|2,0,0]=3 1575 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [1,0,0,0,0,0|2,0,0]=3 1576 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [1,0,0,0,0,0|2,0,0]=3 1577 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [1,0,0,0,0,0|2,0,0]=3 1578 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [1,0,0,0,0,0|2,0,0]=3 1579 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [1,0,0,0,0,0|2,0,0]=3 1580 B9R0.46 CCC(=O)CSCCC#N 62a_100000747405_100011215226 [1,0,0,0,0,0|2,0,1]=4 1581 B9R0.46 CCC(=O)CSCCC#N 62a_100011215226_100000747405 [1,0,0,0,0,0|2,0,1]=4 1582 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [1,0,0,0,0,0|2,0,0]=3 1583 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [1,0,0,0,0,0|2,0,0]=3 1584 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [1,0,0,0,0,0|2,0,0]=3 1585 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [1,0,0,0,0,0|2,0,0]=3 1586 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [1,0,0,0,0,0|2,0,0]=3 1587 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [1,0,0,0,0,0|2,0,0]=3 1588 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [1,0,0,0,0,0|2,0,0]=3 1589 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [1,0,0,0,0,0|2,0,0]=3 1590 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [1,0,0,0,0,0|2,0,0]=3 1591 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [1,0,0,0,0,0|2,0,0]=3 1592 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 1593 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 1594 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [1,0,0,0,0,0|2,0,0]=3 1595 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 1596 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 1597 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 1598 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [1,0,0,0,0,0|2,0,0]=3 1599 B9R0.46 CCC(=O)NCCNCF 34a_100132302217_100015361967 [1,0,0,0,0,0|3,0,0]=4 1600 B9R0.46 CCC(=O)NCCOCF 34a_200000158885_100015361967 [1,0,0,0,0,0|3,0,0]=4 1601 B9R0.46 CCC(=O)NCCOCF 7a_200000158885_100015361967 [1,0,0,0,0,0|3,0,0]=4 1602 B9R0.46 CCC(=O)NNCCOC 22a_100000741390_100000210414 [1,0,0,0,0,0|3,0,0]=4 1603 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [1,0,0,0,0,0|3,0,0]=4 1604 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [1,0,0,0,0,0|0,0,2]=3 1605 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [1,0,0,0,0,0|1,0,2]=4 1606 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [1,0,0,0,0,0|1,0,2]=4 1607 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 1608 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 1609 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [1,0,0,0,0,0|1,0,2]=4 1610 B9R0.46 CCCC=NNC(=O)CC 4a_100000183195_100000185831 [1,0,0,0,0,0|2,0,1]=4 1611 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,0,0,0,0,0|0,0,2]=3 1612 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [1,0,0,0,0,0|1,0,2]=4 1613 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [1,0,0,0,0,0|1,0,2]=4 1614 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [1,0,0,0,0,0|1,0,2]=4 1615 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [1,0,0,0,0,0|1,0,2]=4 1616 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,0,0,0,0,0|0,0,0]=1 1617 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,0,0,0,0,0|0,0,0]=1 1618 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [1,0,0,0,0,0|1,0,0]=2 1619 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [1,0,0,0,0,0|1,0,0]=2 1620 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [1,0,0,0,0,0|1,0,0]=2 1621 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 1622 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 1623 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [1,0,0,0,0,0|1,0,0]=2 1624 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 1625 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 1626 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [1,0,0,0,0,0|2,0,1]=4 1627 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [1,0,0,0,0,0|2,0,1]=4 1628 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [1,0,0,0,0,0|2,0,1]=4 1629 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [1,0,0,0,0,0|2,0,1]=4 1630 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 1631 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [1,0,0,0,0,0|2,0,1]=4 1632 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [1,0,0,0,0,0|1,0,1]=3 1633 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [1,0,0,0,0,0|1,0,1]=3 1634 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [1,0,0,0,0,0|1,0,1]=3 1635 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [1,0,0,0,0,0|1,0,1]=3 1636 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [1,0,0,0,0,0|1,0,1]=3 1637 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [1,0,0,0,0,0|1,1,1]=4 1638 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [1,0,0,0,0,0|1,1,1]=4 1639 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [1,0,0,0,0,0|1,1,1]=4 1640 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [1,0,0,0,0,0|1,1,1]=4 1641 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,0,0,0,0,0|2,0,0]=3 1642 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,0,0,0,0,0|2,0,0]=3 1643 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,0,0,0,0,0|2,0,0]=3 1644 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,0,0,0,0,0|2,0,0]=3 1645 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [1,0,0,0,0,0|3,0,0]=4 1646 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 1647 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 1648 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 1649 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,0,0,0,0,0|1,0,0]=2 1650 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [1,0,0,0,0,0|2,0,0]=3 1651 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [1,0,0,0,0,0|2,0,0]=3 1652 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [1,0,0,0,0,0|2,0,0]=3 1653 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 1654 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 1655 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [1,0,0,0,0,0|2,0,0]=3 1656 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [1,0,0,0,0,0|2,0,0]=3 1657 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [1,0,0,0,0,0|2,0,0]=3 1658 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,0,0,0,0,0|2,0,1]=4 1659 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,0,0,0,0,0|2,0,1]=4 1660 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,0,0,0,0,0|2,0,1]=4 1661 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,0,0,0,0,0|2,0,1]=4 1662 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,0,0,0,0,0|2,0,1]=4 1663 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,0,0,0,0,0|2,0,1]=4 1664 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,0,0,0,0,0|2,0,1]=4 1665 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [1,0,0,0,0,0|2,0,1]=4 1666 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [1,0,0,0,0,0|2,0,1]=4 1667 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [1,0,0,0,0,0|1,0,0]=2 1668 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [1,0,0,0,0,0|2,0,0]=3 1669 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [1,0,0,0,0,0|2,0,0]=3 1670 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [1,0,0,0,0,0|2,0,0]=3 1671 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [1,0,0,0,0,0|1,0,0]=2 1672 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [1,0,0,0,0,0|1,0,0]=2 1673 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [1,0,0,0,0,0|2,0,1]=4 1674 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [1,0,0,0,0,0|2,0,1]=4 1675 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [1,0,0,0,0,0|2,0,1]=4 1676 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [1,0,0,0,0,0|2,0,1]=4 1677 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [1,0,0,0,0,0|1,0,2]=4 1678 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [1,0,0,0,0,0|1,0,2]=4 1679 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [1,0,0,0,0,0|1,0,2]=4 1680 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [1,0,0,0,0,0|2,0,1]=4 1681 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [1,0,0,0,0,0|2,0,1]=4 1682 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [1,0,0,0,0,0|2,0,1]=4 1683 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [1,0,0,0,0,0|2,0,0]=3 1684 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [1,0,0,0,0,0|3,0,0]=4 1685 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [1,0,0,0,0,0|3,0,0]=4 1686 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [1,0,0,0,0,0|3,0,0]=4 1687 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [1,0,0,0,0,0|3,0,0]=4 1688 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [1,0,0,0,0,0|1,0,0]=2 1689 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [1,0,0,0,0,0|1,0,0]=2 1690 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [1,0,0,0,0,0|1,0,0]=2 1691 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [1,0,0,0,0,0|1,0,0]=2 1692 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [1,0,0,0,0,0|2,0,0]=3 1693 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [1,0,0,0,0,0|2,0,0]=3 1694 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [1,0,0,0,0,0|2,0,0]=3 1695 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 1696 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 1697 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [1,0,0,0,0,0|2,0,0]=3 1698 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [1,0,0,0,0,0|2,0,0]=3 1699 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [1,0,0,0,0,0|2,0,0]=3 1700 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [1,0,0,0,0,0|2,0,0]=3 1701 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [1,0,0,0,0,0|1,0,0]=2 1702 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [1,0,0,0,0,0|1,0,0]=2 1703 B9R0.46 CCCCOCC(C)CC 34a_100000210227_100000748023 [1,0,0,0,0,0|2,0,1]=4 1704 B9R0.46 CCCCOCC(C)CC 7a_100000210227_100000748023 [1,0,0,0,0,0|2,0,1]=4 1705 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [1,0,0,0,0,0|2,0,1]=4 1706 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [1,0,0,0,0,0|2,0,1]=4 1707 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [1,0,0,0,0,0|2,0,1]=4 1708 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [1,0,0,0,0,0|2,0,1]=4 1709 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [1,0,0,0,0,0|2,0,1]=4 1710 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [1,0,0,0,0,0|1,0,2]=4 1711 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [1,0,0,0,0,0|1,0,2]=4 1712 B9R0.46 CCCCOCN(C)CC 2230a_100000225621_100011995733 [1,0,0,0,0,0|3,0,0]=4 1713 B9R0.46 CCCCOCN(C)CC 269982a_100000225621_100011995733 [1,0,0,0,0,0|3,0,0]=4 1714 B9R0.46 CCCCOC[C@@H](C)CC 34a_100000210227_100009816398 [1,0,0,0,0,0|2,0,1]=4 1715 B9R0.46 CCCCOC[C@@H](C)CC 7a_100000210227_100009816398 [1,0,0,0,0,0|2,0,1]=4 1716 B9R0.46 CCCCOC[C@@H](C)CC 7a_100009816381_100000210211 [1,0,0,0,0,0|2,0,1]=4 1717 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [1,0,0,0,0,0|1,0,0]=2 1718 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [1,0,0,0,0,0|1,0,0]=2 1719 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [1,0,0,0,0,0|1,0,0]=2 1720 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [1,0,0,0,0,0|2,0,0]=3 1721 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [1,0,0,0,0,0|2,0,0]=3 1722 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 1723 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 1724 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [1,0,0,0,0,0|2,0,0]=3 1725 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [1,0,0,0,0,0|2,0,0]=3 1726 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [1,0,0,0,0,0|2,0,0]=3 1727 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [1,0,0,0,0,0|1,0,0]=2 1728 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [1,0,0,0,0,0|1,0,0]=2 1729 B9R0.46 CCCCSCC(C)CC 62a_100000210211_100000748023 [1,0,0,0,0,0|2,0,1]=4 1730 B9R0.46 CCCCSCC(C)CC 62a_100000748023_100000210210 [1,0,0,0,0,0|2,0,1]=4 1731 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [1,0,0,0,0,0|1,0,2]=4 1732 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [1,0,0,0,0,0|1,0,2]=4 1733 B9R0.46 CCCCSC[C@@H](C)CC 62a_100000210211_100009816398 [1,0,0,0,0,0|2,0,1]=4 1734 B9R0.46 CCCCSC[C@@H](C)CC 62a_100009816398_100000210210 [1,0,0,0,0,0|2,0,1]=4 1735 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [1,0,0,0,0,0|2,0,0]=3 1736 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [1,0,0,0,0,0|2,0,0]=3 1737 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,0,0,0,0,0|2,0,1]=4 1738 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [1,0,0,0,0,0|2,0,1]=4 1739 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [1,0,0,0,0,0|1,0,0]=2 1740 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [1,0,0,0,0,0|2,0,0]=3 1741 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [1,0,0,0,0,0|2,0,0]=3 1742 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [1,0,0,0,0,0|2,0,0]=3 1743 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [1,0,0,0,0,0|1,0,0]=2 1744 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,0,0,0,0,0|2,0,1]=4 1745 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [1,0,0,0,0,0|2,0,1]=4 1746 B9R0.46 CCCOCCN(C)CC 2230a_100000225621_100011215938 [1,0,0,0,0,0|3,0,0]=4 1747 B9R0.46 CCCOCCN(C)CC 269982a_100000225621_100011215938 [1,0,0,0,0,0|3,0,0]=4 1748 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [1,0,0,0,0,0|2,0,0]=3 1749 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [1,0,0,0,0,0|2,0,0]=3 1750 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [1,0,0,0,0,0|1,0,0]=2 1751 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [1,0,0,0,0,0|1,0,0]=2 1752 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [1,0,0,0,0,0|2,0,0]=3 1753 B9R0.46 CCN(C)CCCCCF 2230a_100000225621_100000729378 [1,0,0,0,0,0|3,0,0]=4 1754 B9R0.46 CCN(C)CCCCCF 269982a_100000225621_100000729378 [1,0,0,0,0,0|3,0,0]=4 1755 B9R0.46 CCN(C)CCCCCO 2230a_100000225621_100000746330 [1,0,0,0,0,0|3,0,0]=4 1756 B9R0.46 CCN(C)CCCCCO 2230a_100000722520_100000210202 [1,0,0,0,0,0|3,0,0]=4 1757 B9R0.46 CCN(C)CCCCCO 269982a_100000225621_100000746330 [1,0,0,0,0,0|3,0,0]=4 1758 B9R0.46 CCN(C)CCCCCO 269982a_100000722520_100000204670 [1,0,0,0,0,0|3,0,0]=4 1759 B9R0.46 CCN(C)CCCCOC 2230a_100000225621_100000730899 [1,0,0,0,0,0|3,0,0]=4 1760 B9R0.46 CCN(C)CCCCOC 269982a_100000225621_100000730899 [1,0,0,0,0,0|3,0,0]=4 1761 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [1,0,0,0,0,0|1,0,2]=4 1762 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [1,0,0,0,0,0|2,0,0]=3 1763 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [1,0,0,0,0,0|2,0,0]=3 1764 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [1,0,0,0,0,0|2,0,0]=3 1765 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [1,0,0,0,0,0|1,0,0]=2 1766 B9R0.46 CCNCCCN(C)CC 2230a_100015525214_100015186262 [1,0,0,0,0,0|3,0,0]=4 1767 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [1,0,0,0,0,0|2,0,0]=3 1768 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [1,0,0,0,0,0|3,0,0]=4 1769 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [1,0,0,0,0,0|2,0,1]=4 1770 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [1,0,0,0,0,0|1,0,2]=4 1771 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,0,0,0,0,0|1,0,0]=2 1772 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [1,0,0,0,0,0|2,0,0]=3 1773 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [1,0,0,0,0,0|2,0,0]=3 1774 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [1,0,0,0,0,0|3,0,0]=4 1775 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [1,0,0,0,0,0|1,0,0]=2 1776 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,0,0,0,0,0|2,0,1]=4 1777 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,0,0,0,0,0|3,0,0]=4 1778 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,0,0,0,0,0|3,0,0]=4 1779 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 1780 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [1,0,0,0,0,0|2,0,0]=3 1781 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 1782 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [1,0,0,0,0,0|2,0,0]=3 1783 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [1,0,0,0,0,0|2,0,0]=3 1784 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [1,0,0,0,0,0|2,0,0]=3 1785 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 1786 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [1,0,0,0,0,0|3,0,0]=4 1787 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [1,0,0,0,0,0|3,0,0]=4 1788 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [1,0,0,0,0,0|3,0,0]=4 1789 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [1,0,0,0,0,0|3,0,0]=4 1790 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [1,0,0,0,0,0|3,0,0]=4 1791 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [1,0,0,0,0,0|3,0,0]=4 1792 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [1,0,0,0,0,0|3,0,0]=4 1793 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [1,0,0,0,0,0|2,0,0]=3 1794 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [1,0,0,0,0,0|2,0,0]=3 1795 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [1,0,0,0,0,0|3,0,0]=4 1796 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [1,0,0,0,0,0|2,0,0]=3 1797 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [1,0,0,0,0,0|2,0,0]=3 1798 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [1,0,0,0,0,0|2,0,0]=3 1799 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [1,0,0,0,0,0|3,0,0]=4 1800 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [1,0,0,0,0,0|3,0,0]=4 1801 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [1,0,0,0,0,0|2,0,0]=3 1802 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [1,0,0,0,0,0|2,0,0]=3 1803 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [1,0,0,0,0,0|1,0,2]=4 1804 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [1,0,0,0,0,0|1,0,2]=4 1805 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [1,0,0,0,0,0|2,0,0]=3 1806 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [1,0,0,0,0,0|2,0,0]=3 1807 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [1,0,0,0,0,0|1,0,0]=2 1808 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [1,0,0,0,0,0|1,0,0]=2 1809 B9R0.46 CCSCCCN(C)CC 62a_100000210202_100015186262 [1,0,0,0,0,0|3,0,0]=4 1810 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 1811 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 1812 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 1813 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [1,0,0,0,0,0|2,0,0]=3 1814 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 1815 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [1,0,0,0,0,0|3,0,0]=4 1816 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [1,0,0,0,0,0|3,0,0]=4 1817 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 1818 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 1819 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [1,0,0,0,0,0|3,0,0]=4 1820 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [1,0,0,0,0,0|3,0,0]=4 1821 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [1,0,0,0,0,0|3,0,0]=4 1822 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [1,0,0,0,0,0|3,0,0]=4 1823 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [1,0,0,0,0,0|3,0,0]=4 1824 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [1,0,0,0,0,0|2,0,0]=3 1825 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [1,0,0,0,0,0|3,0,0]=4 1826 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [1,0,0,0,0,0|3,0,0]=4 1827 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [1,0,0,0,0,0|3,0,0]=4 1828 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [1,0,0,0,0,0|3,0,0]=4 1829 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [1,0,0,0,0,0|3,0,0]=4 1830 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [1,0,0,0,0,0|3,0,0]=4 1831 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [1,0,0,0,0,0|3,0,0]=4 1832 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [1,0,0,0,0,0|3,0,0]=4 1833 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [1,0,0,0,0,0|3,0,0]=4 1834 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [1,0,0,0,0,0|3,0,0]=4 1835 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [1,0,0,0,0,0|3,0,0]=4 1836 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [1,0,0,0,0,0|3,0,0]=4 1837 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [1,0,0,0,0,0|3,0,0]=4 1838 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [1,0,0,0,0,0|3,0,0]=4 1839 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [1,0,0,0,0,0|3,0,0]=4 1840 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [1,0,0,0,0,0|3,0,0]=4 1841 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [1,0,0,0,0,0|3,0,0]=4 1842 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [1,0,0,0,0,0|3,0,0]=4 1843 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [1,0,0,0,0,0|3,0,0]=4 1844 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [1,0,0,0,0,0|3,0,0]=4 1845 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [1,0,0,0,0,0|3,0,0]=4 1846 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [1,0,0,0,0,0|3,0,0]=4 1847 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [1,0,0,0,0,0|3,0,0]=4 1848 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [1,0,0,0,0,0|3,0,0]=4 1849 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [1,0,0,0,0,0|3,0,0]=4 1850 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [1,0,0,0,0,0|3,0,0]=4 1851 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [1,0,0,0,0,0|3,0,0]=4 1852 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [1,0,0,0,0,0|3,0,0]=4 1853 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [1,0,0,0,0,0|3,0,0]=4 1854 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [1,0,0,0,0,0|3,0,0]=4 1855 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [1,0,0,0,0,0|3,0,0]=4 1856 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [1,0,0,0,0,0|3,0,0]=4 1857 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [1,0,0,0,0,0|3,0,0]=4 1858 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [1,0,0,0,0,0|3,0,0]=4 1859 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [1,0,0,0,0,0|3,0,0]=4 1860 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [1,0,0,0,0,0|3,0,0]=4 1861 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [1,0,0,0,0,0|3,0,0]=4 1862 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [1,0,0,0,0,0|3,0,0]=4 1863 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [1,0,0,0,0,0|3,0,0]=4 1864 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [1,0,0,0,0,0|3,0,0]=4 1865 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [1,0,0,0,0,0|3,0,0]=4 1866 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [1,0,0,0,0,0|3,0,0]=4 1867 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [1,0,0,0,0,0|3,0,0]=4 1868 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 1869 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 1870 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [1,0,0,0,0,0|3,0,0]=4 1871 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [1,0,0,0,0,0|3,0,0]=4 1872 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [1,0,0,0,0,0|3,0,0]=4 1873 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [1,0,0,0,0,0|3,0,0]=4 1874 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [1,0,0,0,0,0|3,0,0]=4 1875 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [1,0,0,0,0,0|3,0,0]=4 1876 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [1,0,0,0,0,0|3,0,0]=4 1877 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [1,0,0,0,0,0|3,0,0]=4 1878 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [1,0,0,0,0,0|3,0,0]=4 1879 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [1,0,0,0,0,0|3,0,0]=4 1880 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [1,0,0,0,0,0|3,0,0]=4 1881 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [1,0,0,0,0,0|3,0,0]=4 1882 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [1,0,0,0,0,0|3,0,0]=4 1883 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [1,0,0,0,0,0|3,0,0]=4 1884 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [1,0,0,0,0,0|3,0,0]=4 1885 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 1886 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 1887 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [1,0,0,0,0,0|3,0,0]=4 1888 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [1,0,0,0,0,0|3,0,0]=4 1889 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [1,0,0,0,0,0|3,0,0]=4 1890 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 1891 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [1,0,0,0,0,0|3,0,0]=4 1892 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [1,0,0,0,0,0|3,0,0]=4 1893 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [1,0,0,0,0,0|3,0,0]=4 1894 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [1,0,0,0,0,0|3,0,0]=4 1895 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [1,0,0,0,0,0|3,0,0]=4 1896 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 1897 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 1898 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [1,0,0,0,0,0|3,0,0]=4 1899 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [1,0,0,0,0,0|3,0,0]=4 1900 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [1,0,0,0,0,0|3,0,0]=4 1901 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [1,0,0,0,0,0|1,0,0]=2 1902 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [1,0,0,0,0,0|1,0,0]=2 1903 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [1,0,0,0,0,0|1,0,0]=2 1904 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [1,0,0,0,0,0|2,0,0]=3 1905 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [1,0,0,0,0,0|2,0,0]=3 1906 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [1,0,0,0,0,0|2,0,0]=3 1907 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [1,0,0,0,0,0|1,0,0]=2 1908 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [1,0,0,0,0,0|1,0,0]=2 1909 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [1,0,0,0,0,0|1,0,0]=2 1910 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [1,0,0,0,0,0|1,0,0]=2 1911 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [1,0,0,0,0,0|1,0,0]=2 1912 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [1,0,0,0,0,0|1,0,0]=2 1913 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [1,0,0,0,0,0|2,0,0]=3 1914 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [1,0,0,0,0,0|2,0,0]=3 1915 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [1,0,0,0,0,0|2,0,0]=3 1916 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [1,0,0,0,0,0|2,0,0]=3 1917 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [1,0,0,0,0,0|2,0,0]=3 1918 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [1,0,0,0,0,0|2,0,0]=3 1919 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [1,0,0,0,0,0|2,0,0]=3 1920 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [1,0,0,0,0,0|2,0,1]=4 1921 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [1,0,0,0,0,0|2,0,1]=4 1922 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [1,0,0,0,0,0|2,0,1]=4 1923 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [1,0,0,0,0,0|2,0,1]=4 1924 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [1,0,0,0,0,0|2,0,0]=3 1925 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [1,0,0,0,0,0|2,0,0]=3 1926 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [1,0,0,0,0,0|2,0,0]=3 1927 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [1,0,0,0,0,0|2,0,0]=3 1928 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [1,0,0,0,0,0|2,0,0]=3 1929 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [1,0,0,0,0,0|2,0,0]=3 1930 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [1,0,0,0,0,0|2,0,0]=3 1931 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [1,0,0,0,0,0|2,0,0]=3 1932 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [1,0,0,0,0,0|2,0,0]=3 1933 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [1,0,0,0,0,0|2,0,0]=3 1934 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [1,0,0,0,0,0|2,0,0]=3 1935 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [1,0,0,0,0,0|2,0,0]=3 1936 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [1,0,0,0,0,0|2,0,0]=3 1937 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [1,0,0,0,0,0|3,0,0]=4 1938 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [1,0,0,0,0,0|2,0,0]=3 1939 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [1,0,0,0,0,0|2,0,0]=3 1940 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [1,0,0,0,0,0|2,0,0]=3 1941 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [1,0,0,0,0,0|2,0,0]=3 1942 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [1,0,0,0,0,0|2,0,0]=3 1943 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [1,0,0,0,0,0|2,0,0]=3 1944 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [1,0,0,0,0,0|2,0,1]=4 1945 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [1,0,0,0,0,0|2,0,1]=4 1946 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [1,0,0,0,0,0|2,0,0]=3 1947 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [1,0,0,0,0,0|2,0,0]=3 1948 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [1,0,0,0,0,0|2,0,0]=3 1949 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [1,0,0,0,0,0|2,0,0]=3 1950 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [1,0,0,0,0,0|2,0,0]=3 1951 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [1,0,0,0,0,0|2,0,0]=3 1952 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [1,0,0,0,0,0|3,0,0]=4 1953 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [1,0,0,0,0,0|3,0,0]=4 1954 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [1,0,0,0,0,0|3,0,0]=4 1955 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [1,0,0,0,0,0|3,0,0]=4 1956 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [1,0,0,0,0,0|3,0,0]=4 1957 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [1,0,0,0,0,0|2,0,0]=3 1958 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [1,0,0,0,0,0|1,0,0]=2 1959 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [1,0,0,0,0,0|1,0,0]=2 1960 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [1,0,0,0,0,0|1,0,0]=2 1961 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [1,0,0,0,0,0|3,0,0]=4 1962 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [1,0,0,0,0,0|3,0,0]=4 1963 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [1,0,0,0,0,0|2,0,0]=3 1964 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [1,0,0,0,0,0|3,0,0]=4 1965 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [1,0,0,0,0,0|2,0,0]=3 1966 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [1,0,0,0,0,0|2,0,0]=3 1967 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [1,0,0,0,0,0|2,0,0]=3 1968 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [1,0,0,0,0,0|2,0,0]=3 1969 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [1,0,0,0,0,0|2,0,0]=3 1970 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [1,0,0,0,0,0|2,0,0]=3 1971 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [1,0,0,0,0,0|3,0,0]=4 1972 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [1,0,0,0,0,0|3,0,0]=4 1973 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [1,0,0,0,0,0|3,0,0]=4 1974 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [1,0,0,0,0,0|2,0,1]=4 1975 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [1,0,0,0,0,0|2,0,0]=3 1976 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [1,0,0,0,0,0|3,0,0]=4 1977 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [1,0,0,0,0,0|2,0,0]=3 1978 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [1,0,0,0,0,0|2,0,0]=3 1979 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [1,0,0,0,0,0|3,0,0]=4 1980 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [1,0,0,0,0,0|3,0,0]=4 1981 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [1,0,0,0,0,0|3,0,0]=4 1982 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000210554_100010269958 [0,1,0,0,0,0|1,0,2]=4 1983 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000696528_100000210624 [0,1,0,0,0,0|1,0,2]=4 1984 B11R0.2 C#CCCCCC(=O)CC(C)O 1458a_100000696528_100011218427 [0,1,0,0,0,0|1,0,2]=4 1985 B11R0.2 C#CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100010269958 [0,1,0,0,0,0|1,0,2]=4 1986 B11R0.2 C#CCCCCC(=O)NC(C)C 11a_100138425928_100000696528 [0,1,0,0,0,0|1,0,2]=4 1987 B11R0.2 C#CCCCCC(=O)NC(C)C 1626a_100138425928_100000696528 [0,1,0,0,0,0|1,0,2]=4 1988 B11R0.2 C#CCCCCC(=O)NC(C)C 240690a_100138425928_100000696528 [0,1,0,0,0,0|1,0,2]=4 1989 B11R0.2 C#CCCCCC(=O)NC(C)C 527a_100138425928_100000696528 [0,1,0,0,0,0|1,0,2]=4 1990 B11R0.2 C#CCCNCC(=O)OC(C)C 34a_100000755551_100011215430 [0,1,0,0,0,0|1,0,2]=4 1991 B11R0.2 C#CCCOCC(=O)OC(C)C 34a_100011215631_100011215430 [0,1,0,0,0,0|1,0,2]=4 1992 B11R0.2 C#CCCSCC(=O)OC(C)C 62a_100000688953_100011215430 [0,1,0,0,0,0|1,0,2]=4 1993 B11R0.2 C#CCCSCC(=O)OC(C)C 62a_100011215430_100000688953 [0,1,0,0,0,0|1,0,2]=4 1994 B11R0.2 C#CCSCCC(=O)OC(C)C 62a_100000038162_100000760027 [0,1,0,0,0,0|1,0,2]=4 1995 B11R0.2 C/C=C/COCC(=O)OC(C)C 34a_100016270725_100011215430 [0,1,0,0,0,0|1,0,2]=4 1996 B11R0.2 C/C=C/CSCC(=O)OC(C)C 62a_100011215430_100102629194 [0,1,0,0,0,0|1,0,2]=4 1997 B11R0.2 C/C=C/CSCC(=O)OC(C)C 62a_100102629194_100011215430 [0,1,0,0,0,0|1,0,2]=4 1998 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,1,0,0,0,0|1,0,1]=3 1999 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,1,0,0,0,0|2,0,1]=4 2000 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,1,0,0,0,0|2,0,1]=4 2001 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [0,1,0,0,0,0|2,0,1]=4 2002 B11R0.2 C=C(F)CC(=O)CCCCCC 1458a_100102632555_100009893438 [0,1,0,0,0,0|1,0,2]=4 2003 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,1,0,0,0,0|1,0,2]=4 2004 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,1,0,0,0,0|1,0,2]=4 2005 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,1,0,0,0,0|1,0,2]=4 2006 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,1,0,0,0,0|1,0,2]=4 2007 B11R0.2 C=CCCCCC(=O)NC(C)C 11a_100138425928_100011215552 [0,1,0,0,0,0|1,0,2]=4 2008 B11R0.2 C=CCCCCC(=O)NC(C)C 1626a_100138425928_100011215552 [0,1,0,0,0,0|1,0,2]=4 2009 B11R0.2 C=CCCCCC(=O)NC(C)C 240690a_100138425928_100011215552 [0,1,0,0,0,0|1,0,2]=4 2010 B11R0.2 C=CCCCCC(=O)NC(C)C 527a_100138425928_100011215552 [0,1,0,0,0,0|1,0,2]=4 2011 B11R0.2 C=CCCNCC(=O)OC(C)C 2230a_100015191253_100011215430 [0,1,0,0,0,0|1,0,2]=4 2012 B11R0.2 C=CCCOCC(=O)OC(C)C 34a_100011205117_100011215430 [0,1,0,0,0,0|1,0,2]=4 2013 B11R0.2 C=CCCSCC(=O)OC(C)C 62a_100000754431_100011215430 [0,1,0,0,0,0|1,0,2]=4 2014 B11R0.2 C=CCCSCC(=O)OC(C)C 62a_100011215430_100000754431 [0,1,0,0,0,0|1,0,2]=4 2015 B11R0.2 C=CCNCCC(=O)OC(C)C 2230a_100020586998_100000760027 [0,1,0,0,0,0|1,0,2]=4 2016 B11R0.2 C=CCSCCC(=O)OC(C)C 62a_100000210623_100000760027 [0,1,0,0,0,0|1,0,2]=4 2017 B11R0.2 C=CCSCCC(=O)OC(C)C 62a_100000760027_100000210623 [0,1,0,0,0,0|1,0,2]=4 2018 B11R0.2 CC#CCNCC(=O)OC(C)C 2230a_100000685387_100011215430 [0,1,0,0,0,0|1,0,2]=4 2019 B11R0.2 CC#CCNCC(=O)OC(C)C 34a_100000685387_100011215430 [0,1,0,0,0,0|1,0,2]=4 2020 B11R0.2 CC#CCOCC(=O)OC(C)C 34a_100000761923_100011215430 [0,1,0,0,0,0|1,0,2]=4 2021 B11R0.2 CC#CCSCC(=O)OC(C)C 62a_100000748600_100011215430 [0,1,0,0,0,0|1,0,2]=4 2022 B11R0.2 CC#CCSCC(=O)OC(C)C 62a_100011215430_100000748600 [0,1,0,0,0,0|1,0,2]=4 2023 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [0,1,0,0,0,0|2,0,1]=4 2024 B11R0.2 CC(=CC(=O)CCCCCF)Cl 1458a_200042562850_100000729378 [0,1,0,0,0,0|2,0,1]=4 2025 B11R0.2 CC(=CC(=O)CCCCCF)I 1458a_100025716642_100000729378 [0,1,0,0,0,0|2,0,1]=4 2026 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [0,1,0,0,0,0|2,0,1]=4 2027 B11R0.2 CC(=CC(=O)CCCCCO)Cl 1458a_200042562850_100000746330 [0,1,0,0,0,0|2,0,1]=4 2028 B11R0.2 CC(=CC(=O)CCCCCO)I 1458a_100025716642_100000746330 [0,1,0,0,0,0|2,0,1]=4 2029 B11R0.2 CC(C)CC(=O)CCCCC#N 1458a_100000210554_100000211819 [0,1,0,0,0,0|2,0,1]=4 2030 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,1,0,0,0,0|2,0,0]=3 2031 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,1,0,0,0,0|2,0,0]=3 2032 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,1,0,0,0,0|2,0,0]=3 2033 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100000210554_100011215305 [0,1,0,0,0,0|3,0,0]=4 2034 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100011229844_100000210624 [0,1,0,0,0,0|3,0,0]=4 2035 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,1,0,0,0,0|3,0,0]=4 2036 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,1,0,0,0,0|3,0,0]=4 2037 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,1,0,0,0,0|2,0,0]=3 2038 B11R0.2 CC(C)NC(=O)CCNCCO 2230a_100016997473_100000737564 [0,1,0,0,0,0|3,0,0]=4 2039 B11R0.2 CC(C)NC(=O)CCOCCO 1626a_100138425928_100011229844 [0,1,0,0,0,0|3,0,0]=4 2040 B11R0.2 CC(C)NC(=O)CCOCCO 240690a_100138425928_100011229844 [0,1,0,0,0,0|3,0,0]=4 2041 B11R0.2 CC(C)NC(=O)CCSCCF 62a_100000737564_100011217306 [0,1,0,0,0,0|3,0,0]=4 2042 B11R0.2 CC(C)NC(=O)CCSCCF 62a_100011217306_100000737564 [0,1,0,0,0,0|3,0,0]=4 2043 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000211926_100000737564 [0,1,0,0,0,0|3,0,0]=4 2044 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000737564_100000211926 [0,1,0,0,0,0|3,0,0]=4 2045 B11R0.2 CC(C)NC(=O)CNCCCF 2230a_100000168517_100011934791 [0,1,0,0,0,0|3,0,0]=4 2046 B11R0.2 CC(C)NC(=O)CNCCCF 2230a_100015189416_100000183996 [0,1,0,0,0,0|3,0,0]=4 2047 B11R0.2 CC(C)NC(=O)CNCCCF 34a_100015189416_100000183996 [0,1,0,0,0,0|3,0,0]=4 2048 B11R0.2 CC(C)NC(=O)CNCCCO 2230a_100000168517_100000230001 [0,1,0,0,0,0|3,0,0]=4 2049 B11R0.2 CC(C)NC(=O)COCCCBr 34a_100011217188_100000183996 [0,1,0,0,0,0|3,0,0]=4 2050 B11R0.2 CC(C)NC(=O)COCCCCl 34a_100000230001_100000183996 [0,1,0,0,0,0|3,0,0]=4 2051 B11R0.2 CC(C)NC(=O)COCCCF 34a_100000759539_100000183996 [0,1,0,0,0,0|3,0,0]=4 2052 B11R0.2 CC(C)NC(=O)COCCCN 34a_100000182051_100000183996 [0,1,0,0,0,0|3,0,0]=4 2053 B11R0.2 CC(C)NC(=O)CSCCCF 62a_100000183996_100011934791 [0,1,0,0,0,0|3,0,0]=4 2054 B11R0.2 CC(C)NC(=O)CSCCCF 62a_100011934791_100000183996 [0,1,0,0,0,0|3,0,0]=4 2055 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100000183996_100011215043 [0,1,0,0,0,0|3,0,0]=4 2056 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100011215043_100000183996 [0,1,0,0,0,0|3,0,0]=4 2057 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100000750430_100138425928 [0,1,0,0,0,0|3,0,0]=4 2058 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100138425928_100000750430 [0,1,0,0,0,0|3,0,0]=4 2059 B11R0.2 CC(C)NC(=O)NCCCCO 273464a_100138425928_100000750430 [0,1,0,0,0,0|3,0,0]=4 2060 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100000750430_100138425928 [0,1,0,0,0,0|3,0,0]=4 2061 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100138425928_100000750430 [0,1,0,0,0,0|3,0,0]=4 2062 B11R0.2 CC(C)OC(=O)CCNCCO 2230a_100016997473_100000760027 [0,1,0,0,0,0|2,0,0]=3 2063 B11R0.2 CC(C)OC(=O)CCSCC#N 62a_100000760027_100011215382 [0,1,0,0,0,0|2,0,1]=4 2064 B11R0.2 CC(C)OC(=O)CCSCC#N 62a_100011215382_100000760027 [0,1,0,0,0,0|2,0,1]=4 2065 B11R0.2 CC(C)OC(=O)CCSCC=O 62a_100000760027_200015260668 [0,1,0,0,0,0|2,0,1]=4 2066 B11R0.2 CC(C)OC(=O)CCSCC=O 62a_200015260668_100000760027 [0,1,0,0,0,0|2,0,1]=4 2067 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100000760027_100011217306 [0,1,0,0,0,0|2,0,0]=3 2068 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100011217306_100000760027 [0,1,0,0,0,0|2,0,0]=3 2069 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000211926_100000760027 [0,1,0,0,0,0|2,0,0]=3 2070 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000760027_100000211926 [0,1,0,0,0,0|2,0,0]=3 2071 B11R0.2 CC(C)OC(=O)CNCCCF 2230a_100015189416_100011215430 [0,1,0,0,0,0|2,0,0]=3 2072 B11R0.2 CC(C)OC(=O)CNCCCF 34a_100015189416_100011215430 [0,1,0,0,0,0|2,0,0]=3 2073 B11R0.2 CC(C)OC(=O)COCCCBr 34a_100011217188_100011215430 [0,1,0,0,0,0|2,0,0]=3 2074 B11R0.2 CC(C)OC(=O)COCCCCl 34a_100000230001_100011215430 [0,1,0,0,0,0|2,0,0]=3 2075 B11R0.2 CC(C)OC(=O)COCCCF 34a_100000759539_100011215430 [0,1,0,0,0,0|2,0,0]=3 2076 B11R0.2 CC(C)OC(=O)COCCCN 34a_100000182051_100011215430 [0,1,0,0,0,0|2,0,0]=3 2077 B11R0.2 CC(C)OC(=O)COCCON 34a_100000700252_100011215430 [0,1,0,0,0,0|3,0,0]=4 2078 B11R0.2 CC(C)OC(=O)CSCCC#N 62a_100011215226_100011215430 [0,1,0,0,0,0|2,0,1]=4 2079 B11R0.2 CC(C)OC(=O)CSCCC#N 62a_100011215430_100011215226 [0,1,0,0,0,0|2,0,1]=4 2080 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011215430_100011934791 [0,1,0,0,0,0|2,0,0]=3 2081 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011934791_100011215430 [0,1,0,0,0,0|2,0,0]=3 2082 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215043_100011215430 [0,1,0,0,0,0|2,0,0]=3 2083 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215430_100011215043 [0,1,0,0,0,0|2,0,0]=3 2084 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100000003507_100011217306 [0,1,0,0,0,0|3,0,0]=4 2085 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100011217306_100000003507 [0,1,0,0,0,0|3,0,0]=4 2086 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000003507_100000211926 [0,1,0,0,0,0|3,0,0]=4 2087 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000211926_100000003507 [0,1,0,0,0,0|3,0,0]=4 2088 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,1,0,0,0,0|2,0,0]=3 2089 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,1,0,0,0,0|3,0,0]=4 2090 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [0,1,0,0,0,0|1,0,2]=4 2091 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,1,0,0,0,0|1,0,2]=4 2092 B11R0.2 CC=CCSCC(=O)OC(C)C 62a_100000070051_100011215430 [0,1,0,0,0,0|1,0,2]=4 2093 B11R0.2 CC=CCSCC(=O)OC(C)C 62a_100011215430_100000070051 [0,1,0,0,0,0|1,0,2]=4 2094 B11R0.2 CCC/C=C/CC(=O)CC(C)C 1458a_200016266809_100000210624 [0,1,0,0,0,0|1,0,2]=4 2095 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,1,0,0,0,0|1,0,2]=4 2096 B11R0.2 CCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016266809 [0,1,0,0,0,0|1,0,2]=4 2097 B11R0.2 CCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016266809 [0,1,0,0,0,0|1,0,2]=4 2098 B11R0.2 CCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016266809 [0,1,0,0,0,0|1,0,2]=4 2099 B11R0.2 CCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016266809 [0,1,0,0,0,0|1,0,2]=4 2100 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [0,1,0,0,0,0|1,0,2]=4 2101 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,1,0,0,0,0|1,0,2]=4 2102 B11R0.2 CCCCC=CC(=O)NC(C)C 11a_100138425928_100016266645 [0,1,0,0,0,0|1,0,2]=4 2103 B11R0.2 CCCCC=CC(=O)NC(C)C 1626a_100138425928_100016266645 [0,1,0,0,0,0|1,0,2]=4 2104 B11R0.2 CCCCC=CC(=O)NC(C)C 240690a_100138425928_100016266645 [0,1,0,0,0,0|1,0,2]=4 2105 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,1,0,0,0,0|1,0,1]=3 2106 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,1,0,0,0,0|1,0,1]=3 2107 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,1,0,0,0,0|1,0,1]=3 2108 B11R0.2 CCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210757 [0,1,0,0,0,0|2,0,1]=4 2109 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [0,1,0,0,0,0|2,0,1]=4 2110 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [0,1,0,0,0,0|2,0,1]=4 2111 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [0,1,0,0,0,0|2,0,1]=4 2112 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,1,0,0,0,0|1,0,0]=2 2113 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,1,0,0,0,0|1,0,0]=2 2114 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,1,0,0,0,0|1,0,0]=2 2115 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,1,0,0,0,0|2,0,0]=3 2116 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,1,0,0,0,0|2,0,0]=3 2117 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,1,0,0,0,0|1,0,0]=2 2118 B11R0.2 CCCCCCC(=O)C[N+](=O)[O-] 1458a_100102632555_100000761209 [0,1,0,0,0,0|3,0,0]=4 2119 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,1,0,0,0,0|2,0,0]=3 2120 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,1,0,0,0,0|1,0,0]=2 2121 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,1,0,0,0,0|1,0,0]=2 2122 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,1,0,0,0,0|1,0,0]=2 2123 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,1,0,0,0,0|1,0,0]=2 2124 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100000210919_100000210206 [0,1,0,0,0,0|2,0,1]=4 2125 B11R0.2 CCCCCCC(C)NC(C)C 2230a_100138425928_100011215978 [0,1,0,0,0,0|2,0,1]=4 2126 B11R0.2 CCCCCCC(C)NC(C)C 34a_100000210919_100000210206 [0,1,0,0,0,0|2,0,1]=4 2127 B11R0.2 CCCCCCC(C)NC(C)C 34a_100138425928_100011215978 [0,1,0,0,0,0|2,0,1]=4 2128 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [0,1,0,0,0,0|1,0,1]=3 2129 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [0,1,0,0,0,0|1,0,1]=3 2130 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [0,1,0,0,0,0|1,0,1]=3 2131 B11R0.2 CCCCCCC(C)SC(C)C 62a_100000210206_100011215978 [0,1,0,0,0,0|1,1,1]=4 2132 B11R0.2 CCCCCCC(C)SC(C)C 62a_100011215978_100000210206 [0,1,0,0,0,0|1,1,1]=4 2133 B11R0.2 CCCCCCN(C)CC(C)C 2230a_100000747067_100000210314 [0,1,0,0,0,0|3,0,0]=4 2134 B11R0.2 CCCCCCN(C)CC(C)C 2230a_106256046315_100000210760 [0,1,0,0,0,0|3,0,0]=4 2135 B11R0.2 CCCCCCN(C)CC(C)C 269982a_100000747067_100000210757 [0,1,0,0,0,0|3,0,0]=4 2136 B11R0.2 CCCCCCN(C)CC(C)C 269982a_106256046315_100000210624 [0,1,0,0,0,0|3,0,0]=4 2137 B11R0.2 CCCCCCN(C)CC(C)C 270004a_106256046315_100000210432 [0,1,0,0,0,0|3,0,0]=4 2138 B11R0.2 CCCCCCN(C)CC(C)O 2230a_100000227577_100000210314 [0,1,0,0,0,0|3,0,0]=4 2139 B11R0.2 CCCCCCN(C)CC(C)O 2230a_106256046315_100011218427 [0,1,0,0,0,0|3,0,0]=4 2140 B11R0.2 CCCCCCN(C)CC(C)O 269982a_100000227577_100000210757 [0,1,0,0,0,0|3,0,0]=4 2141 B11R0.2 CCCCCCN(C)CC(C)O 269982a_106256046315_100011218427 [0,1,0,0,0,0|3,0,0]=4 2142 B11R0.2 CCCCCCN(C)C[C@@H](C)O 2230a_106256046315_100009817552 [0,1,0,0,0,0|3,0,0]=4 2143 B11R0.2 CCCCCCN(C)C[C@@H](C)O 269982a_106256046315_100009817552 [0,1,0,0,0,0|3,0,0]=4 2144 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [0,1,0,0,0,0|2,0,1]=4 2145 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [0,1,0,0,0,0|2,0,1]=4 2146 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [0,1,0,0,0,0|2,0,1]=4 2147 B11R0.2 CCCCCNC(=O)C=C(C)Cl 11a_100000209983_200042562850 [0,1,0,0,0,0|2,0,1]=4 2148 B11R0.2 CCCCCNC(=O)C=C(C)Cl 1626a_100000209983_200042562850 [0,1,0,0,0,0|2,0,1]=4 2149 B11R0.2 CCCCCNC(=O)C=C(C)Cl 240690a_100000209983_200042562850 [0,1,0,0,0,0|2,0,1]=4 2150 B11R0.2 CCCCCNC(=O)C=C(C)I 11a_100000209983_100025716642 [0,1,0,0,0,0|2,0,1]=4 2151 B11R0.2 CCCCCNC(=O)C=C(C)I 1626a_100000209983_100025716642 [0,1,0,0,0,0|2,0,1]=4 2152 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,1,0,0,0,0|2,0,1]=4 2153 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,1,0,0,0,0|2,0,0]=3 2154 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,1,0,0,0,0|2,0,0]=3 2155 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,1,0,0,0,0|2,0,0]=3 2156 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,1,0,0,0,0|2,0,0]=3 2157 B11R0.2 CCCCCNC(=O)CN(C)C 11a_100000209983_100000750896 [0,1,0,0,0,0|3,0,0]=4 2158 B11R0.2 CCCCCNC(=O)CN(C)C 2230a_100102631434_100000230301 [0,1,0,0,0,0|3,0,0]=4 2159 B11R0.2 CCCCCNC(=O)CN(C)C 240690a_100000209983_100000750896 [0,1,0,0,0,0|3,0,0]=4 2160 B11R0.2 CCCCCNC(=O)CN(C)C 269982a_100102631434_100000230301 [0,1,0,0,0,0|3,0,0]=4 2161 B11R0.2 CCCCCNC(=O)CN(C)C 527a_100000209983_100000750896 [0,1,0,0,0,0|3,0,0]=4 2162 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,1,0,0,0,0|2,0,0]=3 2163 B11R0.2 CCCCCNC(=O)C[S+](C)C 11a_100000209983_200159257847 [0,1,0,0,0,0|3,0,0]=4 2164 B11R0.2 CCCCCNC(=O)C[S+](C)C 1626a_100000209983_200159257847 [0,1,0,0,0,0|3,0,0]=4 2165 B11R0.2 CCCCCNC(=O)C[S+](C)C 240690a_100000209983_200159257847 [0,1,0,0,0,0|3,0,0]=4 2166 B11R0.2 CCCCCNC(=O)C[S+](C)C 527a_100000209983_200159257847 [0,1,0,0,0,0|3,0,0]=4 2167 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [0,1,0,0,0,0|2,0,0]=3 2168 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 2169 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 2170 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [0,1,0,0,0,0|2,0,0]=3 2171 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [0,1,0,0,0,0|2,0,0]=3 2172 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [0,1,0,0,0,0|2,0,1]=4 2173 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000102301_100000183996 [0,1,0,0,0,0|2,0,0]=3 2174 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000168517_100000210211 [0,1,0,0,0,0|2,0,0]=3 2175 B11R0.2 CCCCNCC(=O)NC(C)C 7a_106832991798_100000183996 [0,1,0,0,0,0|2,0,0]=3 2176 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,1,0,0,0,0|1,0,0]=2 2177 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,1,0,0,0,0|1,0,0]=2 2178 B11R0.2 CCCCNNC(=O)CC(C)C 22a_100025702795_100000210554 [0,1,0,0,0,0|3,0,0]=4 2179 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,1,0,0,0,0|3,0,0]=4 2180 B11R0.2 CCCCNNC(=O)NC(C)C 273464a_100138425928_100025702795 [0,1,0,0,0,0|3,0,0]=4 2181 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100025702795_100138425928 [0,1,0,0,0,0|3,0,0]=4 2182 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100138425928_100025702795 [0,1,0,0,0,0|3,0,0]=4 2183 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [0,1,0,0,0,0|2,0,1]=4 2184 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [0,1,0,0,0,0|2,0,1]=4 2185 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [0,1,0,0,0,0|2,0,1]=4 2186 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,1,0,0,0,0|2,0,0]=3 2187 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,1,0,0,0,0|2,0,0]=3 2188 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,1,0,0,0,0|2,0,0]=3 2189 B11R0.2 CCCCOCC(=O)CC(F)F 1458a_100000757543_100011934356 [0,1,0,0,0,0|3,0,0]=4 2190 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [0,1,0,0,0,0|3,0,0]=4 2191 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,1,0,0,0,0|2,0,0]=3 2192 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [0,1,0,0,0,0|3,0,0]=4 2193 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,1,0,0,0,0|2,0,1]=4 2194 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [0,1,0,0,0,0|2,0,0]=3 2195 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [0,1,0,0,0,0|2,0,0]=3 2196 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [0,1,0,0,0,0|2,0,0]=3 2197 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [0,1,0,0,0,0|2,0,0]=3 2198 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [0,1,0,0,0,0|2,0,0]=3 2199 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [0,1,0,0,0,0|2,0,0]=3 2200 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,1,0,0,0,0|1,0,0]=2 2201 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,1,0,0,0,0|1,0,0]=2 2202 B11R0.2 CCCCOCC(C)OC(C)C 34a_100011217071_100000210206 [0,1,0,0,0,0|2,0,1]=4 2203 B11R0.2 CCCCOCC(C)OC(C)C 7a_100011217071_100000210206 [0,1,0,0,0,0|2,0,1]=4 2204 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,1,0,0,0,0|2,0,0]=3 2205 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,1,0,0,0,0|2,0,0]=3 2206 B11R0.2 CCCCSCC(=O)CC(F)F 1458a_100000191162_100011934356 [0,1,0,0,0,0|3,0,0]=4 2207 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [0,1,0,0,0,0|2,0,1]=4 2208 B11R0.2 CCCCSCC(=O)NC(C)C 11a_100138425928_100000191162 [0,1,0,0,0,0|2,0,0]=3 2209 B11R0.2 CCCCSCC(=O)NC(C)C 1626a_100138425928_100000191162 [0,1,0,0,0,0|2,0,0]=3 2210 B11R0.2 CCCCSCC(=O)NC(C)C 240690a_100138425928_100000191162 [0,1,0,0,0,0|2,0,0]=3 2211 B11R0.2 CCCCSCC(=O)NC(C)C 527a_100138425928_100000191162 [0,1,0,0,0,0|2,0,0]=3 2212 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000183996_100000210210 [0,1,0,0,0,0|2,0,0]=3 2213 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000210211_100000183996 [0,1,0,0,0,0|2,0,0]=3 2214 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,1,0,0,0,0|1,0,0]=2 2215 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,1,0,0,0,0|1,0,0]=2 2216 B11R0.2 CCCOCCC(=O)C=C(C)C 1458a_100000211388_100011215938 [0,1,0,0,0,0|2,0,1]=4 2217 B11R0.2 CCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215938 [0,1,0,0,0,0|2,0,1]=4 2218 B11R0.2 CCCOCCC(=O)C=C(C)I 1458a_100025716642_100011215938 [0,1,0,0,0,0|2,0,1]=4 2219 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,1,0,0,0,0|2,0,0]=3 2220 B11R0.2 CCCOCCC(=O)CN(C)C 1458a_100000750896_100011215938 [0,1,0,0,0,0|3,0,0]=4 2221 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,1,0,0,0,0|2,0,0]=3 2222 B11R0.2 CCCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215938 [0,1,0,0,0,0|3,0,0]=4 2223 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000210303_100000737564 [0,1,0,0,0,0|2,0,0]=3 2224 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000737564_100000210303 [0,1,0,0,0,0|2,0,0]=3 2225 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,1,0,0,0,0|1,0,0]=2 2226 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,1,0,0,0,0|1,0,0]=2 2227 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [0,1,0,0,0,0|2,0,0]=3 2228 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [0,1,0,0,0,0|2,0,0]=3 2229 B11R0.2 CCOCCCC(=O)C=C(C)C 1458a_100000211388_100012232248 [0,1,0,0,0,0|2,0,1]=4 2230 B11R0.2 CCOCCCC(=O)C=C(C)Cl 1458a_200042562850_100012232248 [0,1,0,0,0,0|2,0,1]=4 2231 B11R0.2 CCOCCCC(=O)C=C(C)I 1458a_100025716642_100012232248 [0,1,0,0,0,0|2,0,1]=4 2232 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,1,0,0,0,0|2,0,0]=3 2233 B11R0.2 CCOCCCC(=O)CN(C)C 1458a_100000750896_100012232248 [0,1,0,0,0,0|3,0,0]=4 2234 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,1,0,0,0,0|2,0,0]=3 2235 B11R0.2 CCOCCCC(=O)C[S+](C)C 1458a_200159257847_100012232248 [0,1,0,0,0,0|3,0,0]=4 2236 B11R0.2 CCOCCNC(=O)CC(C)C 11a_100011200944_100000210554 [0,1,0,0,0,0|3,0,0]=4 2237 B11R0.2 CCOCCNC(=O)CC(C)C 1626a_102516460346_100000210554 [0,1,0,0,0,0|3,0,0]=4 2238 B11R0.2 CCOCCNC(=O)CC(C)C 240690a_100011200944_100000210554 [0,1,0,0,0,0|3,0,0]=4 2239 B11R0.2 CCOCCNC(=O)CC(C)C 527a_100011200944_100000210554 [0,1,0,0,0,0|3,0,0]=4 2240 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,1,0,0,0,0|3,0,0]=4 2241 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100011200944_100138425928 [0,1,0,0,0,0|3,0,0]=4 2242 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100138425928_100011200944 [0,1,0,0,0,0|3,0,0]=4 2243 B11R0.2 CCOCCNC(=O)NC(C)C 273464a_100138425928_102516460346 [0,1,0,0,0,0|3,0,0]=4 2244 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100011200944_100138425928 [0,1,0,0,0,0|3,0,0]=4 2245 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100138425928_100011200944 [0,1,0,0,0,0|3,0,0]=4 2246 B11R0.2 CCOCSCC(=O)NC(C)C 62a_100000183996_100000739092 [0,1,0,0,0,0|3,0,0]=4 2247 B11R0.2 CCOCSCC(=O)NC(C)C 62a_100000739092_100000183996 [0,1,0,0,0,0|3,0,0]=4 2248 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100000739092_100011215430 [0,1,0,0,0,0|2,0,0]=3 2249 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100011215430_100000739092 [0,1,0,0,0,0|2,0,0]=3 2250 B11R0.2 CCSCCNC(=O)CC(C)C 11a_100000106463_100000210554 [0,1,0,0,0,0|3,0,0]=4 2251 B11R0.2 CCSCCNC(=O)CC(C)C 1626a_100000106463_100000210554 [0,1,0,0,0,0|3,0,0]=4 2252 B11R0.2 CCSCCNC(=O)CC(C)C 240690a_100000106463_100000210554 [0,1,0,0,0,0|3,0,0]=4 2253 B11R0.2 CCSCCNC(=O)CC(C)C 527a_100000106463_100000210554 [0,1,0,0,0,0|3,0,0]=4 2254 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,1,0,0,0,0|3,0,0]=4 2255 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100000106463_100138425928 [0,1,0,0,0,0|3,0,0]=4 2256 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100138425928_100000106463 [0,1,0,0,0,0|3,0,0]=4 2257 B11R0.2 CCSCCNC(=O)NC(C)C 273464a_100138425928_100000106463 [0,1,0,0,0,0|3,0,0]=4 2258 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100000106463_100138425928 [0,1,0,0,0,0|3,0,0]=4 2259 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100138425928_100000106463 [0,1,0,0,0,0|3,0,0]=4 2260 B11R0.2 CN(C)CC(=O)CCCCCF 1458a_100000750896_100000729378 [0,1,0,0,0,0|3,0,0]=4 2261 B11R0.2 CN(C)CC(=O)CCCCCO 1458a_100000750896_100000746330 [0,1,0,0,0,0|3,0,0]=4 2262 B11R0.2 COCCCCC(=O)C=C(C)C 1458a_100000211388_100000755781 [0,1,0,0,0,0|2,0,1]=4 2263 B11R0.2 COCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000755781 [0,1,0,0,0,0|2,0,1]=4 2264 B11R0.2 COCCCCC(=O)C=C(C)I 1458a_100025716642_100000755781 [0,1,0,0,0,0|2,0,1]=4 2265 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,1,0,0,0,0|2,0,0]=3 2266 B11R0.2 COCCCCC(=O)CN(C)C 1458a_100000750896_100000755781 [0,1,0,0,0,0|3,0,0]=4 2267 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,1,0,0,0,0|2,0,0]=3 2268 B11R0.2 COCCCCC(=O)C[S+](C)C 1458a_200159257847_100000755781 [0,1,0,0,0,0|3,0,0]=4 2269 B11R0.2 COCCCNC(=O)CC(C)C 1626a_100150723488_100000210554 [0,1,0,0,0,0|3,0,0]=4 2270 B11R0.2 COCCCNC(=O)CC(C)C 240690a_100150723488_100000210554 [0,1,0,0,0,0|3,0,0]=4 2271 B11R0.2 COCCCNC(=O)CC(C)C 527a_100150723488_100000210554 [0,1,0,0,0,0|3,0,0]=4 2272 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,1,0,0,0,0|3,0,0]=4 2273 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100138425928_100150723488 [0,1,0,0,0,0|3,0,0]=4 2274 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100150723488_100138425928 [0,1,0,0,0,0|3,0,0]=4 2275 B11R0.2 COCCCNC(=O)NC(C)C 273464a_100138425928_100150723488 [0,1,0,0,0,0|3,0,0]=4 2276 B11R0.2 COCCCNC(=O)NC(C)C 512a_100138425928_100150723488 [0,1,0,0,0,0|3,0,0]=4 2277 B11R0.2 COCCNCC(=O)NC(C)C 2230a_100000168517_100011201679 [0,1,0,0,0,0|3,0,0]=4 2278 B11R0.2 COCCNCC(=O)NC(C)C 2230a_100000209980_100000183996 [0,1,0,0,0,0|3,0,0]=4 2279 B11R0.2 COCCNCC(=O)OC(C)C 2230a_100000209980_100011215430 [0,1,0,0,0,0|2,0,0]=3 2280 B11R0.2 COCCOCC(=O)CC(C)C 1458a_100000211095_100000210624 [0,1,0,0,0,0|3,0,0]=4 2281 B11R0.2 COCCOCC(=O)CC(C)O 1458a_100000211095_100011218427 [0,1,0,0,0,0|3,0,0]=4 2282 B11R0.2 COCCOCC(=O)NC(C)C 11a_100138425928_100000211095 [0,1,0,0,0,0|3,0,0]=4 2283 B11R0.2 COCCOCC(=O)NC(C)C 1626a_100138425928_100000211095 [0,1,0,0,0,0|3,0,0]=4 2284 B11R0.2 COCCOCC(=O)NC(C)C 240690a_100138425928_100000211095 [0,1,0,0,0,0|3,0,0]=4 2285 B11R0.2 COCCOCC(=O)NC(C)C 34a_100000210237_100000183996 [0,1,0,0,0,0|3,0,0]=4 2286 B11R0.2 COCCOCC(=O)NC(C)C 527a_100138425928_100000211095 [0,1,0,0,0,0|3,0,0]=4 2287 B11R0.2 COCCOCC(=O)OC(C)C 34a_100000210237_100011215430 [0,1,0,0,0,0|2,0,0]=3 2288 B11R0.2 COCCSCC(=O)NC(C)C 62a_100000183996_100000233755 [0,1,0,0,0,0|3,0,0]=4 2289 B11R0.2 COCCSCC(=O)NC(C)C 62a_100000233755_100000183996 [0,1,0,0,0,0|3,0,0]=4 2290 B11R0.2 COCCSCC(=O)OC(C)C 62a_100000233755_100011215430 [0,1,0,0,0,0|2,0,0]=3 2291 B11R0.2 COCCSCC(=O)OC(C)C 62a_100011215430_100000233755 [0,1,0,0,0,0|2,0,0]=3 2292 B11R0.2 COCSCCC(=O)NC(C)C 62a_100000737564_100000766300 [0,1,0,0,0,0|3,0,0]=4 2293 B11R0.2 COCSCCC(=O)NC(C)C 62a_100000766300_100000737564 [0,1,0,0,0,0|3,0,0]=4 2294 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000760027_100000766300 [0,1,0,0,0,0|2,0,0]=3 2295 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000766300_100000760027 [0,1,0,0,0,0|2,0,0]=3 2296 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000003507_100000766300 [0,1,0,0,0,0|3,0,0]=4 2297 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000766300_100000003507 [0,1,0,0,0,0|3,0,0]=4 2298 B11R0.2 CSCCCNC(=O)CC(C)C 11a_100000749238_100000210554 [0,1,0,0,0,0|3,0,0]=4 2299 B11R0.2 CSCCCNC(=O)CC(C)C 1626a_100000749238_100000210554 [0,1,0,0,0,0|3,0,0]=4 2300 B11R0.2 CSCCCNC(=O)CC(C)C 240690a_100000749238_100000210554 [0,1,0,0,0,0|3,0,0]=4 2301 B11R0.2 CSCCCNC(=O)CC(C)C 527a_100000749238_100000210554 [0,1,0,0,0,0|3,0,0]=4 2302 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,1,0,0,0,0|3,0,0]=4 2303 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100000749238_100138425928 [0,1,0,0,0,0|3,0,0]=4 2304 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100138425928_100000749238 [0,1,0,0,0,0|3,0,0]=4 2305 B11R0.2 CSCCCNC(=O)NC(C)C 273464a_100138425928_100000749238 [0,1,0,0,0,0|3,0,0]=4 2306 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100000749238_100138425928 [0,1,0,0,0,0|3,0,0]=4 2307 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100138425928_100000749238 [0,1,0,0,0,0|3,0,0]=4 2308 B11R0.2 CSCCNCC(=O)NC(C)C 2230a_100000168517_100000751147 [0,1,0,0,0,0|3,0,0]=4 2309 B11R0.2 CSCCNCC(=O)NC(C)C 2230a_100020590264_100000183996 [0,1,0,0,0,0|3,0,0]=4 2310 B11R0.2 CSCCNCC(=O)OC(C)C 2230a_100020590264_100011215430 [0,1,0,0,0,0|2,0,0]=3 2311 B11R0.2 CSCCOCC(=O)NC(C)C 34a_100000230434_100000183996 [0,1,0,0,0,0|3,0,0]=4 2312 B11R0.2 CSCCOCC(=O)NC(C)C 7a_100000230434_100000183996 [0,1,0,0,0,0|3,0,0]=4 2313 B11R0.2 CSCCOCC(=O)OC(C)C 34a_100000230434_100011215430 [0,1,0,0,0,0|2,0,0]=3 2314 B11R0.2 CSCCOCC(=O)OC(C)C 7a_100000230434_100011215430 [0,1,0,0,0,0|2,0,0]=3 2315 B11R0.2 CSCCSCC(=O)NC(C)C 62a_100000183996_100000751147 [0,1,0,0,0,0|3,0,0]=4 2316 B11R0.2 CSCCSCC(=O)NC(C)C 62a_100000212216_100000183996 [0,1,0,0,0,0|3,0,0]=4 2317 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100000212216_100011215430 [0,1,0,0,0,0|2,0,0]=3 2318 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100011215430_100000751147 [0,1,0,0,0,0|2,0,0]=3 2319 B11R0.2 CSCSCCC(=O)NC(C)C 62a_100000737564_100011218213 [0,1,0,0,0,0|3,0,0]=4 2320 B11R0.2 CSCSCCC(=O)NC(C)C 62a_100011218213_100000737564 [0,1,0,0,0,0|3,0,0]=4 2321 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100000760027_100011218213 [0,1,0,0,0,0|2,0,0]=3 2322 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100011218213_100000760027 [0,1,0,0,0,0|2,0,0]=3 2323 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100000003507_100011218213 [0,1,0,0,0,0|3,0,0]=4 2324 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100011218213_100000003507 [0,1,0,0,0,0|3,0,0]=4 2325 B11R0.2 C[C@@H](O)CC(=O)CCCCC#N 1458a_100011933948_100000211819 [0,1,0,0,0,0|2,0,1]=4 2326 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,1,0,0,0,0|2,0,0]=3 2327 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,1,0,0,0,0|2,0,0]=3 2328 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,1,0,0,0,0|3,0,0]=4 2329 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,1,0,0,0,0|3,0,0]=4 2330 B11R0.2 C[S+](C)CC(=O)CCCCCF 1458a_200159257847_100000729378 [0,1,0,0,0,0|3,0,0]=4 2331 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,1,0,0,0,0|3,0,0]=4 2332 B11R0.2 O=C(CCCCCO)CC(F)F 1458a_100102619762_100011934356 [0,1,0,0,0,0|3,0,0]=4 2333 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,1,0,0,0,0|1,0,2]=4 2334 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,1,0,0,0,0|1,0,2]=4 2335 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,1,0,0,0,0|1,0,2]=4 2336 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,1,0,0,0,0|1,0,2]=4 2337 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,1,0,0,0,0|1,0,2]=4 2338 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,1,0,0,0,0|1,0,2]=4 2339 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,1,0,0,0,0|1,0,2]=4 2340 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,1,0,0,0,0|1,0,2]=4 2341 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,1,0,0,0,0|1,0,2]=4 2342 B11R0.4 C#CCCCCCC(=O)C#CC 1458a_100000763181_100012094781 [0,1,0,0,0,0|1,0,2]=4 2343 B11R0.4 C#CCCCCCC(=O)C=CC 1458a_100000210699_100012094781 [0,1,0,0,0,0|1,0,2]=4 2344 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,1,0,0,0,0|1,0,1]=3 2345 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,1,0,0,0,0|1,0,1]=3 2346 B11R0.4 C#CCCCCCC(=O)CCF 1458a_100000694772_100011217306 [0,1,0,0,0,0|2,0,1]=4 2347 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,1,0,0,0,0|2,0,1]=4 2348 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,1,0,0,0,0|2,0,1]=4 2349 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,1,0,0,0,0|2,0,1]=4 2350 B11R0.4 C#CCCCCCC(=O)CSC 1458a_100000184570_100012094781 [0,1,0,0,0,0|2,0,1]=4 2351 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,1,0,0,0,0|1,0,1]=3 2352 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,1,0,0,0,0|1,0,1]=3 2353 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,1,0,0,0,0|1,0,1]=3 2354 B11R0.4 C#CCCCCCC(=O)NNC 22a_100016993582_100000694772 [0,1,0,0,0,0|2,0,1]=4 2355 B11R0.4 C#CCCCCNC(=O)CCC 11a_100000706060_100000211992 [0,1,0,0,0,0|1,0,2]=4 2356 B11R0.4 C#CCCCCNC(=O)CCC 1626a_100000706060_100000211992 [0,1,0,0,0,0|1,0,2]=4 2357 B11R0.4 C#CCCCCNC(=O)CCC 240690a_100000706060_100000211992 [0,1,0,0,0,0|1,0,2]=4 2358 B11R0.4 C#CCCCCNC(=O)CCC 527a_100000706060_100000211992 [0,1,0,0,0,0|1,0,2]=4 2359 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100000706060_100015525214 [0,1,0,0,0,0|1,0,2]=4 2360 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100015525214_100000706060 [0,1,0,0,0,0|1,0,2]=4 2361 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100000706060_100015525214 [0,1,0,0,0,0|1,0,2]=4 2362 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100015525214_100000706060 [0,1,0,0,0,0|1,0,2]=4 2363 B11R0.4 C#CCCCCNC(=O)NCC 512a_100000706060_100015525214 [0,1,0,0,0,0|1,0,2]=4 2364 B11R0.4 C#CCCCCNC(=O)NCC 512a_100015525214_100000706060 [0,1,0,0,0,0|1,0,2]=4 2365 B11R0.4 C#CCCCNCC(=O)NCC 2230a_100016988866_100000731252 [0,1,0,0,0,0|1,0,2]=4 2366 B11R0.4 C#CCCCNCC(=O)NCC 34a_100000718082_100000183381 [0,1,0,0,0,0|1,0,2]=4 2367 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,1,0,0,0,0|0,0,2]=3 2368 B11R0.4 C#CCCCOCC(=O)CCC 7a_100000215630_100000747444 [0,1,0,0,0,0|1,0,2]=4 2369 B11R0.4 C#CCCCOCC(=O)NCC 34a_100000215630_100000183381 [0,1,0,0,0,0|1,0,2]=4 2370 B11R0.4 C#CCCCOCC(=O)NCC 7a_100000215630_100000183381 [0,1,0,0,0,0|1,0,2]=4 2371 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,1,0,0,0,0|0,0,2]=3 2372 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,1,0,0,0,0|0,0,2]=3 2373 B11R0.4 C#CCCCSCC(=O)CCC 62a_100000747444_100011215417 [0,1,0,0,0,0|1,0,2]=4 2374 B11R0.4 C#CCCCSCC(=O)CCC 62a_100011215417_100000747444 [0,1,0,0,0,0|1,0,2]=4 2375 B11R0.4 C#CCCCSCC(=O)NCC 62a_100000183381_100011215417 [0,1,0,0,0,0|1,0,2]=4 2376 B11R0.4 C#CCCCSCC(=O)NCC 62a_100011215417_100000183381 [0,1,0,0,0,0|1,0,2]=4 2377 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,1,0,0,0,0|0,0,2]=3 2378 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,1,0,0,0,0|0,0,2]=3 2379 B11R0.4 C#CCCNCCC(=O)NCC 34a_100025743525_100000688953 [0,1,0,0,0,0|1,0,2]=4 2380 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [0,1,0,0,0,0|0,0,2]=3 2381 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [0,1,0,0,0,0|0,0,2]=3 2382 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000688953_100000737597 [0,1,0,0,0,0|1,0,2]=4 2383 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000737597_100000688953 [0,1,0,0,0,0|1,0,2]=4 2384 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [0,1,0,0,0,0|0,0,2]=3 2385 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [0,1,0,0,0,0|0,0,2]=3 2386 B11R0.4 C#CCCSCOC(=O)OCC 62a_100000688953_100000075025 [0,1,0,0,0,0|1,0,2]=4 2387 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [0,1,0,0,0,0|0,0,2]=3 2388 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [0,1,0,0,0,0|0,0,2]=3 2389 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [0,1,0,0,0,0|0,0,2]=3 2390 B11R0.4 C#CCOCCNC(=O)OCC 34a_100000158857_100000184674 [0,1,0,0,0,0|1,0,2]=4 2391 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [0,1,0,0,0,0|0,0,2]=3 2392 B11R0.4 C#CCSCCNC(=O)OCC 62a_100000038162_200011445536 [0,1,0,0,0,0|1,0,2]=4 2393 B11R0.4 C/C=C/CCOCC(=O)NCC 34a_100016278192_100000183381 [0,1,0,0,0,0|1,0,2]=4 2394 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,1,0,0,0,0|0,0,2]=3 2395 B11R0.4 C/C=C/CNCCC(=O)NCC 34a_100025743525_100102629194 [0,1,0,0,0,0|1,0,2]=4 2396 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,1,0,0,0,0|0,0,2]=3 2397 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100000737597_100102629194 [0,1,0,0,0,0|1,0,2]=4 2398 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100102629194_100000737597 [0,1,0,0,0,0|1,0,2]=4 2399 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,1,0,0,0,0|0,0,2]=3 2400 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,1,0,0,0,0|0,0,2]=3 2401 B11R0.4 C/C=C/CSCOC(=O)OCC 62a_100102629194_100000075025 [0,1,0,0,0,0|1,0,2]=4 2402 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,1,0,0,0,0|1,0,2]=4 2403 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,1,0,0,0,0|1,0,2]=4 2404 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,1,0,0,0,0|1,0,2]=4 2405 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,1,0,0,0,0|1,0,2]=4 2406 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,1,0,0,0,0|1,0,2]=4 2407 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,1,0,0,0,0|1,0,2]=4 2408 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,1,0,0,0,0|1,0,2]=4 2409 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 2410 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 2411 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 2412 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,1,0,0,0,0|1,0,2]=4 2413 B11R0.4 C=CCCCCCC(=O)C#CC 1458a_100000763181_100000700193 [0,1,0,0,0,0|1,0,2]=4 2414 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,1,0,0,0,0|1,0,2]=4 2415 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,1,0,0,0,0|1,0,1]=3 2416 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,1,0,0,0,0|1,0,1]=3 2417 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,1,0,0,0,0|2,0,1]=4 2418 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,1,0,0,0,0|2,0,1]=4 2419 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,1,0,0,0,0|2,0,1]=4 2420 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,1,0,0,0,0|2,0,1]=4 2421 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,1,0,0,0,0|2,0,1]=4 2422 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,1,0,0,0,0|1,0,1]=3 2423 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,1,0,0,0,0|1,0,1]=3 2424 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,1,0,0,0,0|1,0,1]=3 2425 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,1,0,0,0,0|2,0,1]=4 2426 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,1,0,0,0,0|1,0,2]=4 2427 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,1,0,0,0,0|1,0,2]=4 2428 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,1,0,0,0,0|1,0,2]=4 2429 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,1,0,0,0,0|1,0,2]=4 2430 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,1,0,0,0,0|1,0,2]=4 2431 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,1,0,0,0,0|1,0,2]=4 2432 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,1,0,0,0,0|1,0,2]=4 2433 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,1,0,0,0,0|1,0,2]=4 2434 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,1,0,0,0,0|1,0,2]=4 2435 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,1,0,0,0,0|1,0,2]=4 2436 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,1,0,0,0,0|1,0,2]=4 2437 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100000700776_100000183381 [0,1,0,0,0,0|1,0,2]=4 2438 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100016988866_100011713584 [0,1,0,0,0,0|1,0,2]=4 2439 B11R0.4 C=CCCCNCC(=O)NCC 34a_100000700776_100000183381 [0,1,0,0,0,0|1,0,2]=4 2440 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,1,0,0,0,0|0,0,2]=3 2441 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,1,0,0,0,0|0,0,2]=3 2442 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,1,0,0,0,0|1,0,2]=4 2443 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,1,0,0,0,0|1,0,2]=4 2444 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,1,0,0,0,0|1,0,2]=4 2445 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,1,0,0,0,0|0,0,2]=3 2446 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,1,0,0,0,0|0,0,2]=3 2447 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,1,0,0,0,0|1,0,2]=4 2448 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,1,0,0,0,0|1,0,2]=4 2449 B11R0.4 C=CCCCSCC(=O)NCC 62a_100000183381_100000757094 [0,1,0,0,0,0|1,0,2]=4 2450 B11R0.4 C=CCCCSCC(=O)NCC 62a_100011713584_100000183381 [0,1,0,0,0,0|1,0,2]=4 2451 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,1,0,0,0,0|0,0,2]=3 2452 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,1,0,0,0,0|0,0,2]=3 2453 B11R0.4 C=CCCNCCC(=O)NCC 2230a_100015191253_100000737597 [0,1,0,0,0,0|1,0,2]=4 2454 B11R0.4 C=CCCNCCC(=O)NCC 34a_100025743525_100000754431 [0,1,0,0,0,0|1,0,2]=4 2455 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,1,0,0,0,0|0,0,2]=3 2456 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,1,0,0,0,0|0,0,2]=3 2457 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000737597_100000754431 [0,1,0,0,0,0|1,0,2]=4 2458 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000754431_100000737597 [0,1,0,0,0,0|1,0,2]=4 2459 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,1,0,0,0,0|0,0,2]=3 2460 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,1,0,0,0,0|0,0,2]=3 2461 B11R0.4 C=CCCSCOC(=O)OCC 62a_100000754431_100000075025 [0,1,0,0,0,0|1,0,2]=4 2462 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,1,0,0,0,0|0,0,2]=3 2463 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,1,0,0,0,0|0,0,2]=3 2464 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,1,0,0,0,0|0,0,2]=3 2465 B11R0.4 C=CCOCCNC(=O)OCC 34a_100000158857_100015514636 [0,1,0,0,0,0|1,0,2]=4 2466 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,1,0,0,0,0|0,0,2]=3 2467 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,1,0,0,0,0|0,0,2]=3 2468 B11R0.4 C=CCSCCNC(=O)OCC 62a_100000210623_200011445536 [0,1,0,0,0,0|1,0,2]=4 2469 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,1,0,0,0,0|0,0,2]=3 2470 B11R0.4 C=COC(=O)CNCCCCO 2230a_100000750430_100000036128 [0,1,0,0,0,0|1,0,2]=4 2471 B11R0.4 C=COC(=O)CNCCCCO 34a_100000750430_100000036128 [0,1,0,0,0,0|1,0,2]=4 2472 B11R0.4 C=COC(=O)CNCCCOC 34a_100150723488_100000036128 [0,1,0,0,0,0|1,0,2]=4 2473 B11R0.4 C=COC(=O)CNCCCSC 2230a_100000749238_100000036128 [0,1,0,0,0,0|1,0,2]=4 2474 B11R0.4 C=COC(=O)CNCCOCC 2230a_102516460346_100000036128 [0,1,0,0,0,0|1,0,2]=4 2475 B11R0.4 C=COC(=O)CNCCOCC 34a_102516460346_100000036128 [0,1,0,0,0,0|1,0,2]=4 2476 B11R0.4 C=COC(=O)CNCCSCC 2230a_100000106463_100000036128 [0,1,0,0,0,0|1,0,2]=4 2477 B11R0.4 C=COC(=O)COCCCCBr 34a_100011216708_100000036128 [0,1,0,0,0,0|1,0,2]=4 2478 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,1,0,0,0,0|0,0,2]=3 2479 B11R0.4 C=COC(=O)COCCCCCl 34a_100000210776_100000036128 [0,1,0,0,0,0|1,0,2]=4 2480 B11R0.4 C=COC(=O)COCCCCF 34a_100011995726_100000036128 [0,1,0,0,0,0|1,0,2]=4 2481 B11R0.4 C=COC(=O)COCCCCI 34a_200012148704_100000036128 [0,1,0,0,0,0|1,0,2]=4 2482 B11R0.4 C=COC(=O)COCCCCN 34a_100000750430_100000036128 [0,1,0,0,0,0|1,0,2]=4 2483 B11R0.4 C=COC(=O)COCCCNC 34a_100000213112_100000036128 [0,1,0,0,0,0|1,0,2]=4 2484 B11R0.4 C=COC(=O)COCCCOC 34a_100000740835_100000036128 [0,1,0,0,0,0|1,0,2]=4 2485 B11R0.4 C=COC(=O)COCCCSC 34a_100000690336_100000036128 [0,1,0,0,0,0|1,0,2]=4 2486 B11R0.4 C=COC(=O)COCCOCC 34a_100000210136_100000036128 [0,1,0,0,0,0|1,0,2]=4 2487 B11R0.4 C=COC(=O)COCCSCC 34a_100000212035_100000036128 [0,1,0,0,0,0|1,0,2]=4 2488 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,1,0,0,0,0|0,0,2]=3 2489 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,1,0,0,0,0|0,0,2]=3 2490 B11R0.4 C=COC(=O)CSCCCCF 62a_100000036128_100000729493 [0,1,0,0,0,0|1,0,2]=4 2491 B11R0.4 C=COC(=O)CSCCCCF 62a_100000729493_100000036128 [0,1,0,0,0,0|1,0,2]=4 2492 B11R0.4 C=COC(=O)CSCCCCO 62a_100000036128_100000210776 [0,1,0,0,0,0|1,0,2]=4 2493 B11R0.4 C=COC(=O)CSCCCCO 62a_100000210776_100000036128 [0,1,0,0,0,0|1,0,2]=4 2494 B11R0.4 C=COC(=O)CSCCCOC 62a_100000036128_100000709357 [0,1,0,0,0,0|1,0,2]=4 2495 B11R0.4 C=COC(=O)CSCCCOC 62a_100000709357_100000036128 [0,1,0,0,0,0|1,0,2]=4 2496 B11R0.4 C=COC(=O)CSCCOCC 62a_100000036128_100011215890 [0,1,0,0,0,0|1,0,2]=4 2497 B11R0.4 C=COC(=O)CSCCOCC 62a_100000210147_100000036128 [0,1,0,0,0,0|1,0,2]=4 2498 B11R0.4 C=COC(=O)CSCCSCC 62a_100000036128_100000757381 [0,1,0,0,0,0|1,0,2]=4 2499 B11R0.4 C=COC(=O)CSCCSCC 62a_100000757381_100000036128 [0,1,0,0,0,0|1,0,2]=4 2500 B11R0.4 C=COCCOCC(=O)OCC 34a_100000033082_100000188475 [0,1,0,0,0,0|1,0,2]=4 2501 B11R0.4 C=COCCSCC(=O)OCC 62a_100000039644_100000188475 [0,1,0,0,0,0|1,0,2]=4 2502 B11R0.4 C=COCCSCC(=O)OCC 62a_100000188475_100000039644 [0,1,0,0,0,0|1,0,2]=4 2503 B11R0.4 CC#CC(=O)CCCCCC#N 1458a_100000763181_100009813376 [0,1,0,0,0,0|1,0,2]=4 2504 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,1,0,0,0,0|1,0,1]=3 2505 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,1,0,0,0,0|1,0,1]=3 2506 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,1,0,0,0,0|1,0,1]=3 2507 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,1,0,0,0,0|1,0,1]=3 2508 B11R0.4 CC#CC(=O)CCOCCOC 1458a_100000763181_100000695917 [0,1,0,0,0,0|2,0,1]=4 2509 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,1,0,0,0,0|2,0,1]=4 2510 B11R0.4 CC#CCCOCC(=O)NCC 34a_100000750427_100000183381 [0,1,0,0,0,0|1,0,2]=4 2511 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,1,0,0,0,0|0,0,2]=3 2512 B11R0.4 CC#CCNCCC(=O)NCC 2230a_100000685387_100000737597 [0,1,0,0,0,0|1,0,2]=4 2513 B11R0.4 CC#CCNCCC(=O)NCC 34a_100025743525_100000748600 [0,1,0,0,0,0|1,0,2]=4 2514 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [0,1,0,0,0,0|0,0,2]=3 2515 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [0,1,0,0,0,0|0,0,2]=3 2516 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [0,1,0,0,0,0|0,0,2]=3 2517 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000737597_100000748600 [0,1,0,0,0,0|1,0,2]=4 2518 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000748600_100000737597 [0,1,0,0,0,0|1,0,2]=4 2519 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [0,1,0,0,0,0|0,0,2]=3 2520 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [0,1,0,0,0,0|0,0,2]=3 2521 B11R0.4 CC#CCSCOC(=O)OCC 62a_100000748600_100000075025 [0,1,0,0,0,0|1,0,2]=4 2522 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,1,0,0,0,0|1,0,2]=4 2523 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,1,0,0,0,0|1,0,2]=4 2524 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,1,0,0,0,0|0,0,2]=3 2525 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,1,0,0,0,0|1,0,2]=4 2526 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,1,0,0,0,0|1,0,2]=4 2527 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,1,0,0,0,0|1,0,2]=4 2528 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,1,0,0,0,0|1,0,2]=4 2529 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,1,0,0,0,0|0,0,2]=3 2530 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,1,0,0,0,0|0,0,2]=3 2531 B11R0.4 CC=CC(=O)CCCCCC#N 1458a_100000210699_100009813376 [0,1,0,0,0,0|1,0,2]=4 2532 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,1,0,0,0,0|1,0,1]=3 2533 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,1,0,0,0,0|1,0,1]=3 2534 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,1,0,0,0,0|1,0,1]=3 2535 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,1,0,0,0,0|1,0,1]=3 2536 B11R0.4 CC=CC(=O)CCOCCOC 1458a_100000210699_100000695917 [0,1,0,0,0,0|2,0,1]=4 2537 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,1,0,0,0,0|1,0,1]=3 2538 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,1,0,0,0,0|1,0,1]=3 2539 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,1,0,0,0,0|1,0,1]=3 2540 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,1,0,0,0,0|2,0,1]=4 2541 B11R0.4 CC=CC(=O)NCCCOCC 11a_100000210961_100000210699 [0,1,0,0,0,0|2,0,1]=4 2542 B11R0.4 CC=CC(=O)NCCCOCC 1626a_100000210961_100000210699 [0,1,0,0,0,0|2,0,1]=4 2543 B11R0.4 CC=CC(=O)NCCCOCC 240690a_100000210961_100000210699 [0,1,0,0,0,0|2,0,1]=4 2544 B11R0.4 CC=CC(=O)NCCOCCC 1626a_100161115042_100000210699 [0,1,0,0,0,0|2,0,1]=4 2545 B11R0.4 CC=CC(=O)NCCOCCC 240690a_100161115042_100000210699 [0,1,0,0,0,0|2,0,1]=4 2546 B11R0.4 CC=CC(=O)NCCSCCC 11a_100020603323_100000210699 [0,1,0,0,0,0|2,0,1]=4 2547 B11R0.4 CC=CC(=O)NCCSCCC 240690a_100020603323_100000210699 [0,1,0,0,0,0|2,0,1]=4 2548 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,1,0,0,0,0|2,0,1]=4 2549 B11R0.4 CC=CCNCCC(=O)NCC 34a_100025743525_100000070051 [0,1,0,0,0,0|1,0,2]=4 2550 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000070051_100000737597 [0,1,0,0,0,0|1,0,2]=4 2551 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000737597_100000070051 [0,1,0,0,0,0|1,0,2]=4 2552 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,1,0,0,0,0|0,0,2]=3 2553 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,1,0,0,0,0|0,0,2]=3 2554 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,1,0,0,0,0|1,0,2]=4 2555 B11R0.4 CCC#CCNCC(=O)NCC 2230a_100016988866_100009813939 [0,1,0,0,0,0|1,0,2]=4 2556 B11R0.4 CCC#CCOCC(=O)NCC 34a_100000032950_100000183381 [0,1,0,0,0,0|1,0,2]=4 2557 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,1,0,0,0,0|0,0,2]=3 2558 B11R0.4 CCC#CCSCC(=O)CCC 62a_100000747444_100009813939 [0,1,0,0,0,0|1,0,2]=4 2559 B11R0.4 CCC#CCSCC(=O)CCC 62a_100009813939_100000747444 [0,1,0,0,0,0|1,0,2]=4 2560 B11R0.4 CCC#CCSCC(=O)NCC 62a_100000183381_100009813939 [0,1,0,0,0,0|1,0,2]=4 2561 B11R0.4 CCC#CCSCC(=O)NCC 62a_100009813939_100000183381 [0,1,0,0,0,0|1,0,2]=4 2562 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [0,1,0,0,0,0|0,0,2]=3 2563 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [0,1,0,0,0,0|0,0,2]=3 2564 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,1,0,0,0,0|1,0,1]=3 2565 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,1,0,0,0,0|1,0,0]=2 2566 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,1,0,0,0,0|1,0,0]=2 2567 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,1,0,0,0,0|1,0,0]=2 2568 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,1,0,0,0,0|1,0,0]=2 2569 B11R0.4 CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210303 [0,1,0,0,0,0|3,0,0]=4 2570 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,1,0,0,0,0|2,0,0]=3 2571 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,1,0,0,0,0|2,0,0]=3 2572 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,1,0,0,0,0|2,0,0]=3 2573 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,1,0,0,0,0|2,0,0]=3 2574 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,1,0,0,0,0|2,0,0]=3 2575 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,1,0,0,0,0|2,0,0]=3 2576 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,1,0,0,0,0|2,0,0]=3 2577 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,1,0,0,0,0|2,0,0]=3 2578 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,1,0,0,0,0|2,0,0]=3 2579 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,1,0,0,0,0|2,0,0]=3 2580 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,1,0,0,0,0|2,0,0]=3 2581 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000687738_100000747444 [0,1,0,0,0,0|2,0,1]=4 2582 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000747444_100000687738 [0,1,0,0,0,0|2,0,1]=4 2583 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,1,0,0,0,0|2,0,1]=4 2584 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,1,0,0,0,0|2,0,1]=4 2585 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,1,0,0,0,0|2,0,0]=3 2586 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,1,0,0,0,0|2,0,0]=3 2587 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,1,0,0,0,0|2,0,0]=3 2588 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,1,0,0,0,0|2,0,0]=3 2589 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,1,0,0,0,0|2,0,0]=3 2590 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,1,0,0,0,0|2,0,0]=3 2591 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,1,0,0,0,0|2,0,0]=3 2592 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,1,0,0,0,0|2,0,0]=3 2593 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,1,0,0,0,0|2,0,0]=3 2594 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,1,0,0,0,0|2,0,0]=3 2595 B11R0.4 CCCC(=O)NCCCCC#N 11a_100000751965_100000211992 [0,1,0,0,0,0|2,0,1]=4 2596 B11R0.4 CCCC(=O)NCCCCC#N 1626a_100000751965_100000211992 [0,1,0,0,0,0|2,0,1]=4 2597 B11R0.4 CCCC(=O)NCCCCC#N 240690a_100000751965_100000211992 [0,1,0,0,0,0|2,0,1]=4 2598 B11R0.4 CCCC(=O)NCCCCC#N 527a_100000751965_100000211992 [0,1,0,0,0,0|2,0,1]=4 2599 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,1,0,0,0,0|2,0,0]=3 2600 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,1,0,0,0,0|2,0,0]=3 2601 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,1,0,0,0,0|2,0,0]=3 2602 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,1,0,0,0,0|2,0,0]=3 2603 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,1,0,0,0,0|2,0,0]=3 2604 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,1,0,0,0,0|3,0,0]=4 2605 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,1,0,0,0,0|3,0,0]=4 2606 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,1,0,0,0,0|3,0,0]=4 2607 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,1,0,0,0,0|3,0,0]=4 2608 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,1,0,0,0,0|3,0,0]=4 2609 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,1,0,0,0,0|3,0,0]=4 2610 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,1,0,0,0,0|3,0,0]=4 2611 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,1,0,0,0,0|3,0,0]=4 2612 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,1,0,0,0,0|3,0,0]=4 2613 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,1,0,0,0,0|3,0,0]=4 2614 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,1,0,0,0,0|3,0,0]=4 2615 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,1,0,0,0,0|3,0,0]=4 2616 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,1,0,0,0,0|3,0,0]=4 2617 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,1,0,0,0,0|3,0,0]=4 2618 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,1,0,0,0,0|3,0,0]=4 2619 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,1,0,0,0,0|3,0,0]=4 2620 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,1,0,0,0,0|3,0,0]=4 2621 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,1,0,0,0,0|3,0,0]=4 2622 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,1,0,0,0,0|3,0,0]=4 2623 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,1,0,0,0,0|3,0,0]=4 2624 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,1,0,0,0,0|1,0,1]=3 2625 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,1,0,0,0,0|2,0,1]=4 2626 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,1,0,0,0,0|2,0,1]=4 2627 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,1,0,0,0,0|1,0,1]=3 2628 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,1,0,0,0,0|1,0,1]=3 2629 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,1,0,0,0,0|1,0,1]=3 2630 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,1,0,0,0,0|2,0,1]=4 2631 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,1,0,0,0,0|2,0,1]=4 2632 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,1,0,0,0,0|1,0,1]=3 2633 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,1,0,0,0,0|2,0,1]=4 2634 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,1,0,0,0,0|2,0,1]=4 2635 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,1,0,0,0,0|1,0,1]=3 2636 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,1,0,0,0,0|2,0,1]=4 2637 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,1,0,0,0,0|1,0,1]=3 2638 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,1,0,0,0,0|2,0,1]=4 2639 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,1,0,0,0,0|2,0,1]=4 2640 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,1,0,0,0,0|1,0,1]=3 2641 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,1,0,0,0,0|1,0,1]=3 2642 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,1,0,0,0,0|2,0,1]=4 2643 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,1,0,0,0,0|2,0,1]=4 2644 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,1,0,0,0,0|2,0,1]=4 2645 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,1,0,0,0,0|2,0,1]=4 2646 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,1,0,0,0,0|2,0,1]=4 2647 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,1,0,0,0,0|2,0,1]=4 2648 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,1,0,0,0,0|1,0,0]=2 2649 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,1,0,0,0,0|1,0,0]=2 2650 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,1,0,0,0,0|2,0,0]=3 2651 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,1,0,0,0,0|2,0,0]=3 2652 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,1,0,0,0,0|2,0,0]=3 2653 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,1,0,0,0,0|2,0,0]=3 2654 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,1,0,0,0,0|2,0,0]=3 2655 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 2656 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 2657 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,1,0,0,0,0|1,0,0]=2 2658 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,1,0,0,0,0|2,0,0]=3 2659 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,1,0,0,0,0|2,0,1]=4 2660 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,1,0,0,0,0|2,0,1]=4 2661 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,1,0,0,0,0|1,0,1]=3 2662 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,1,0,0,0,0|1,0,1]=3 2663 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,1,0,0,0,0|1,0,1]=3 2664 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,1,0,0,0,0|2,0,1]=4 2665 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,1,0,0,0,0|2,0,1]=4 2666 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,1,0,0,0,0|1,1,1]=4 2667 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,1,0,0,0,0|1,1,1]=4 2668 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2669 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,1,0,0,0,0|3,0,0]=4 2670 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,1,0,0,0,0|3,0,0]=4 2671 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,1,0,0,0,0|3,0,0]=4 2672 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,1,0,0,0,0|2,0,1]=4 2673 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,1,0,0,0,0|2,0,1]=4 2674 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 2675 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 2676 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,1,0,0,0,0|2,0,1]=4 2677 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,1,0,0,0,0|2,0,1]=4 2678 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,1,0,0,0,0|2,0,1]=4 2679 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,1,0,0,0,0|2,0,1]=4 2680 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 2681 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 2682 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 2683 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,1,0,0,0,0|1,0,0]=2 2684 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,1,0,0,0,0|2,0,0]=3 2685 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,1,0,0,0,0|2,0,0]=3 2686 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,1,0,0,0,0|2,0,0]=3 2687 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,1,0,0,0,0|2,0,0]=3 2688 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 2689 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 2690 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 2691 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,1,0,0,0,0|2,0,0]=3 2692 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,1,0,0,0,0|2,0,0]=3 2693 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,1,0,0,0,0|2,0,0]=3 2694 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,1,0,0,0,0|2,0,0]=3 2695 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,1,0,0,0,0|2,0,0]=3 2696 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,1,0,0,0,0|2,0,0]=3 2697 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,1,0,0,0,0|2,0,0]=3 2698 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,1,0,0,0,0|2,0,0]=3 2699 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,1,0,0,0,0|1,0,0]=2 2700 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,1,0,0,0,0|1,0,0]=2 2701 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,1,0,0,0,0|1,0,0]=2 2702 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,1,0,0,0,0|1,0,0]=2 2703 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,1,0,0,0,0|1,0,0]=2 2704 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,1,0,0,0,0|1,0,0]=2 2705 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,1,0,0,0,0|2,0,0]=3 2706 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,1,0,0,0,0|2,0,0]=3 2707 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,1,0,0,0,0|2,0,0]=3 2708 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,1,0,0,0,0|2,0,1]=4 2709 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,1,0,0,0,0|2,0,1]=4 2710 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,1,0,0,0,0|2,0,1]=4 2711 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,1,0,0,0,0|2,0,1]=4 2712 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,1,0,0,0,0|2,0,1]=4 2713 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,1,0,0,0,0|2,0,1]=4 2714 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,1,0,0,0,0|2,0,1]=4 2715 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,1,0,0,0,0|2,0,1]=4 2716 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,1,0,0,0,0|2,0,1]=4 2717 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,1,0,0,0,0|1,0,0]=2 2718 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,1,0,0,0,0|1,0,0]=2 2719 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,1,0,0,0,0|1,0,0]=2 2720 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,1,0,0,0,0|2,0,0]=3 2721 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,1,0,0,0,0|0,0,0]=1 2722 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,1,0,0,0,0|2,0,1]=4 2723 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,1,0,0,0,0|2,0,1]=4 2724 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,1,0,0,0,0|3,0,0]=4 2725 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,1,0,0,0,0|2,0,0]=3 2726 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,1,0,0,0,0|3,0,0]=4 2727 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,1,0,0,0,0|3,0,0]=4 2728 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,1,0,0,0,0|3,0,0]=4 2729 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,1,0,0,0,0|2,0,0]=3 2730 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,1,0,0,0,0|2,0,0]=3 2731 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,1,0,0,0,0|2,0,0]=3 2732 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,1,0,0,0,0|3,0,0]=4 2733 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,1,0,0,0,0|3,0,0]=4 2734 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,1,0,0,0,0|1,0,0]=2 2735 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,1,0,0,0,0|1,0,0]=2 2736 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,1,0,0,0,0|1,0,0]=2 2737 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,1,0,0,0,0|2,0,0]=3 2738 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,1,0,0,0,0|2,0,0]=3 2739 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,1,0,0,0,0|0,0,0]=1 2740 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,1,0,0,0,0|0,0,0]=1 2741 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,1,0,0,0,0|2,0,1]=4 2742 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,1,0,0,0,0|2,0,1]=4 2743 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,1,0,0,0,0|2,0,1]=4 2744 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,1,0,0,0,0|2,0,1]=4 2745 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,1,0,0,0,0|2,0,1]=4 2746 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,1,0,0,0,0|1,0,0]=2 2747 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,1,0,0,0,0|1,0,0]=2 2748 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,1,0,0,0,0|1,0,0]=2 2749 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,1,0,0,0,0|1,0,0]=2 2750 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,1,0,0,0,0|2,0,0]=3 2751 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,1,0,0,0,0|2,0,0]=3 2752 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,1,0,0,0,0|0,0,0]=1 2753 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,1,0,0,0,0|0,0,0]=1 2754 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,1,0,0,0,0|2,0,1]=4 2755 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,1,0,0,0,0|2,0,1]=4 2756 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,1,0,0,0,0|1,0,0]=2 2757 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,1,0,0,0,0|1,0,0]=2 2758 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,1,0,0,0,0|1,0,0]=2 2759 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,1,0,0,0,0|0,0,0]=1 2760 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,1,0,0,0,0|0,0,0]=1 2761 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,1,0,0,0,0|2,0,0]=3 2762 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,1,0,0,0,0|1,0,1]=3 2763 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,1,0,0,0,0|2,0,1]=4 2764 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,1,0,0,0,0|2,0,1]=4 2765 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,1,0,0,0,0|2,0,1]=4 2766 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,1,0,0,0,0|2,0,1]=4 2767 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,1,0,0,0,0|1,0,0]=2 2768 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,1,0,0,0,0|2,0,0]=3 2769 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,1,0,0,0,0|2,0,0]=3 2770 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,1,0,0,0,0|2,0,0]=3 2771 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,1,0,0,0,0|1,0,0]=2 2772 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,1,0,0,0,0|0,0,0]=1 2773 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,1,0,0,0,0|0,0,0]=1 2774 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,1,0,0,0,0|2,0,1]=4 2775 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,1,0,0,0,0|2,0,1]=4 2776 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 2777 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,1,0,0,0,0|3,0,0]=4 2778 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,1,0,0,0,0|2,0,1]=4 2779 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,1,0,0,0,0|2,0,0]=3 2780 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,1,0,0,0,0|1,0,0]=2 2781 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,1,0,0,0,0|1,0,0]=2 2782 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,1,0,0,0,0|0,0,0]=1 2783 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,1,0,0,0,0|0,0,0]=1 2784 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,1,0,0,0,0|2,0,0]=3 2785 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,1,0,0,0,0|1,0,0]=2 2786 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,1,0,0,0,0|3,0,0]=4 2787 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,1,0,0,0,0|3,0,0]=4 2788 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,1,0,0,0,0|3,0,0]=4 2789 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,1,0,0,0,0|3,0,0]=4 2790 B11R0.4 CCCNN=C[CH-]C(=O)OCC 4a_100000740057_100010622808 [0,1,0,0,0,0|1,0,2]=4 2791 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,1,0,0,0,0|0,0,2]=3 2792 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,1,0,0,0,0|0,0,0]=1 2793 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,1,0,0,0,0|0,0,0]=1 2794 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,1,0,0,0,0|2,0,1]=4 2795 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,1,0,0,0,0|2,0,1]=4 2796 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,1,0,0,0,0|2,0,0]=3 2797 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,1,0,0,0,0|2,0,0]=3 2798 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,1,0,0,0,0|2,0,0]=3 2799 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,1,0,0,0,0|3,0,0]=4 2800 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,1,0,0,0,0|3,0,0]=4 2801 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,1,0,0,0,0|3,0,0]=4 2802 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,1,0,0,0,0|3,0,0]=4 2803 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,1,0,0,0,0|3,0,0]=4 2804 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,1,0,0,0,0|3,0,0]=4 2805 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,1,0,0,0,0|3,0,0]=4 2806 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 2807 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 2808 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 2809 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 2810 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,1,0,0,0,0|2,0,0]=3 2811 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,1,0,0,0,0|2,0,0]=3 2812 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 2813 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,1,0,0,0,0|3,0,0]=4 2814 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,1,0,0,0,0|3,0,0]=4 2815 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,1,0,0,0,0|1,0,0]=2 2816 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,1,0,0,0,0|0,0,2]=3 2817 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,1,0,0,0,0|0,0,2]=3 2818 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,1,0,0,0,0|0,0,0]=1 2819 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,1,0,0,0,0|0,0,0]=1 2820 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,1,0,0,0,0|2,0,0]=3 2821 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,1,0,0,0,0|2,0,0]=3 2822 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,1,0,0,0,0|2,0,0]=3 2823 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,1,0,0,0,0|3,0,0]=4 2824 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,1,0,0,0,0|3,0,0]=4 2825 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,1,0,0,0,0|3,0,0]=4 2826 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,1,0,0,0,0|3,0,0]=4 2827 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,1,0,0,0,0|3,0,0]=4 2828 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,1,0,0,0,0|3,0,0]=4 2829 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,1,0,0,0,0|3,0,0]=4 2830 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 2831 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 2832 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 2833 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 2834 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,1,0,0,0,0|2,0,0]=3 2835 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,1,0,0,0,0|2,0,0]=3 2836 B11R0.4 CCCSCCNC(=O)NNC 273464a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 2837 B11R0.4 CCCSCCNC(=O)NNC 512a_100016993582_100020603323 [0,1,0,0,0,0|3,0,0]=4 2838 B11R0.4 CCCSCCNC(=O)NNC 512a_100020603323_100016993582 [0,1,0,0,0,0|3,0,0]=4 2839 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,1,0,0,0,0|1,0,0]=2 2840 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,1,0,0,0,0|1,0,0]=2 2841 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,1,0,0,0,0|1,0,0]=2 2842 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,1,0,0,0,0|1,0,0]=2 2843 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,1,0,0,0,0|1,0,0]=2 2844 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 11a_100015525214_100000070148 [0,1,0,0,0,0|3,0,0]=4 2845 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 240690a_100015525214_100000070148 [0,1,0,0,0,0|3,0,0]=4 2846 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 527a_100015525214_100000070148 [0,1,0,0,0,0|3,0,0]=4 2847 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,1,0,0,0,0|2,0,0]=3 2848 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,1,0,0,0,0|2,0,0]=3 2849 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,1,0,0,0,0|2,0,0]=3 2850 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,1,0,0,0,0|2,0,0]=3 2851 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,1,0,0,0,0|2,0,0]=3 2852 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [0,1,0,0,0,0|2,0,0]=3 2853 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [0,1,0,0,0,0|2,0,0]=3 2854 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,1,0,0,0,0|2,0,0]=3 2855 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,1,0,0,0,0|2,0,0]=3 2856 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,1,0,0,0,0|2,0,0]=3 2857 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,1,0,0,0,0|2,0,0]=3 2858 B11R0.4 CCNC(=O)CCSCCC#N 62a_100000737597_100011215226 [0,1,0,0,0,0|2,0,1]=4 2859 B11R0.4 CCNC(=O)CCSCCC#N 62a_100011215226_100000737597 [0,1,0,0,0,0|2,0,1]=4 2860 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,1,0,0,0,0|2,0,0]=3 2861 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,1,0,0,0,0|2,0,0]=3 2862 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,1,0,0,0,0|2,0,0]=3 2863 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,1,0,0,0,0|2,0,0]=3 2864 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,1,0,0,0,0|2,0,0]=3 2865 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,1,0,0,0,0|2,0,0]=3 2866 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [0,1,0,0,0,0|2,0,0]=3 2867 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [0,1,0,0,0,0|2,0,0]=3 2868 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [0,1,0,0,0,0|2,0,0]=3 2869 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [0,1,0,0,0,0|2,0,0]=3 2870 B11R0.4 CCNC(=O)CNCCCC#N 2230a_100016988866_100000687738 [0,1,0,0,0,0|2,0,1]=4 2871 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,1,0,0,0,0|2,0,1]=4 2872 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,1,0,0,0,0|2,0,0]=3 2873 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,1,0,0,0,0|2,0,0]=3 2874 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,1,0,0,0,0|2,0,0]=3 2875 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,1,0,0,0,0|2,0,0]=3 2876 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,1,0,0,0,0|2,0,0]=3 2877 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,1,0,0,0,0|2,0,0]=3 2878 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,1,0,0,0,0|2,0,0]=3 2879 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,1,0,0,0,0|2,0,0]=3 2880 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,1,0,0,0,0|2,0,0]=3 2881 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,1,0,0,0,0|2,0,0]=3 2882 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,1,0,0,0,0|2,0,0]=3 2883 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,1,0,0,0,0|2,0,0]=3 2884 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,1,0,0,0,0|2,0,0]=3 2885 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,1,0,0,0,0|2,0,0]=3 2886 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,1,0,0,0,0|2,0,0]=3 2887 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,1,0,0,0,0|2,0,0]=3 2888 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,1,0,0,0,0|2,0,0]=3 2889 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,1,0,0,0,0|2,0,0]=3 2890 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,1,0,0,0,0|2,0,0]=3 2891 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,1,0,0,0,0|2,0,0]=3 2892 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,1,0,0,0,0|2,0,0]=3 2893 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,1,0,0,0,0|2,0,0]=3 2894 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,1,0,0,0,0|2,0,0]=3 2895 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,1,0,0,0,0|2,0,0]=3 2896 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,1,0,0,0,0|2,0,0]=3 2897 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,1,0,0,0,0|2,0,0]=3 2898 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,1,0,0,0,0|2,0,0]=3 2899 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000183381_100000687738 [0,1,0,0,0,0|2,0,1]=4 2900 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000687738_100000183381 [0,1,0,0,0,0|2,0,1]=4 2901 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,1,0,0,0,0|2,0,1]=4 2902 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,1,0,0,0,0|2,0,1]=4 2903 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,1,0,0,0,0|2,0,0]=3 2904 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,1,0,0,0,0|2,0,0]=3 2905 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,1,0,0,0,0|2,0,0]=3 2906 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,1,0,0,0,0|2,0,0]=3 2907 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,1,0,0,0,0|2,0,0]=3 2908 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,1,0,0,0,0|2,0,0]=3 2909 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,1,0,0,0,0|2,0,0]=3 2910 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,1,0,0,0,0|2,0,0]=3 2911 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,1,0,0,0,0|2,0,0]=3 2912 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,1,0,0,0,0|2,0,0]=3 2913 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 2914 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 2915 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 2916 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 2917 B11R0.4 CCNC(=O)NCCCCC#N 512a_100000751965_100015525214 [0,1,0,0,0,0|2,0,1]=4 2918 B11R0.4 CCNC(=O)NCCCCC#N 512a_100015525214_100000751965 [0,1,0,0,0,0|2,0,1]=4 2919 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 2920 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,1,0,0,0,0|2,0,0]=3 2921 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 2922 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,1,0,0,0,0|2,0,0]=3 2923 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,1,0,0,0,0|2,0,0]=3 2924 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 2925 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 2926 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 2927 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 2928 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,1,0,0,0,0|2,0,0]=3 2929 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,1,0,0,0,0|2,0,0]=3 2930 B11R0.4 CCNC(=O)NCCOCCO 2708a_100015525214_100000211614 [0,1,0,0,0,0|3,0,0]=4 2931 B11R0.4 CCNC(=O)NCCOCCO 273464a_100000211614_100015525214 [0,1,0,0,0,0|3,0,0]=4 2932 B11R0.4 CCNC(=O)NCCOCCO 273464a_100015525214_100000211614 [0,1,0,0,0,0|3,0,0]=4 2933 B11R0.4 CCNC(=O)NCCOCCO 512a_100000211614_100015525214 [0,1,0,0,0,0|3,0,0]=4 2934 B11R0.4 CCNC(=O)NCCSCCO 2708a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 2935 B11R0.4 CCNC(=O)NCCSCCO 273464a_100011219999_100015525214 [0,1,0,0,0,0|3,0,0]=4 2936 B11R0.4 CCNC(=O)NCCSCCO 273464a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 2937 B11R0.4 CCNC(=O)NCCSCCO 512a_100011219999_100015525214 [0,1,0,0,0,0|3,0,0]=4 2938 B11R0.4 CCNC(=O)NCCSCCO 512a_100015525214_100011219999 [0,1,0,0,0,0|3,0,0]=4 2939 B11R0.4 CCNC(=O)NNCCCOC 273464a_100015525214_100025702787 [0,1,0,0,0,0|3,0,0]=4 2940 B11R0.4 CCNC(=O)NNCCCOC 512a_100015525214_100025702787 [0,1,0,0,0,0|3,0,0]=4 2941 B11R0.4 CCNC(=O)NNCCOCC 273464a_100015525214_100000732670 [0,1,0,0,0,0|3,0,0]=4 2942 B11R0.4 CCNC(=O)NNCCOCC 512a_100000732670_100015525214 [0,1,0,0,0,0|3,0,0]=4 2943 B11R0.4 CCNC(=O)NNCCOCC 512a_100015525214_100000732670 [0,1,0,0,0,0|3,0,0]=4 2944 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,1,0,0,0,0|0,0,0]=1 2945 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,1,0,0,0,0|1,0,0]=2 2946 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [0,1,0,0,0,0|1,0,2]=4 2947 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [0,1,0,0,0,0|1,0,2]=4 2948 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [0,1,0,0,0,0|1,0,2]=4 2949 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [0,1,0,0,0,0|1,0,2]=4 2950 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [0,1,0,0,0,0|1,0,2]=4 2951 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [0,1,0,0,0,0|1,0,2]=4 2952 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [0,1,0,0,0,0|1,0,2]=4 2953 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [0,1,0,0,0,0|1,0,2]=4 2954 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [0,1,0,0,0,0|1,0,2]=4 2955 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [0,1,0,0,0,0|1,0,2]=4 2956 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [0,1,0,0,0,0|1,0,2]=4 2957 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [0,1,0,0,0,0|1,0,2]=4 2958 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [0,1,0,0,0,0|1,0,2]=4 2959 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,1,0,0,0,0|0,0,0]=1 2960 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,1,0,0,0,0|0,0,0]=1 2961 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,1,0,0,0,0|0,0,0]=1 2962 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,1,0,0,0,0|0,0,0]=1 2963 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,1,0,0,0,0|0,0,0]=1 2964 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,1,0,0,0,0|0,0,0]=1 2965 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,1,0,0,0,0|0,0,0]=1 2966 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,1,0,0,0,0|0,0,0]=1 2967 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,1,0,0,0,0|0,0,0]=1 2968 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,1,0,0,0,0|0,0,0]=1 2969 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,1,0,0,0,0|0,0,0]=1 2970 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,1,0,0,0,0|0,0,0]=1 2971 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,1,0,0,0,0|1,0,0]=2 2972 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,1,0,0,0,0|1,0,0]=2 2973 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,1,0,0,0,0|1,0,0]=2 2974 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,1,0,0,0,0|1,0,0]=2 2975 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,1,0,0,0,0|1,0,0]=2 2976 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [0,1,0,0,0,0|1,0,1]=3 2977 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,1,0,0,0,0|1,0,1]=3 2978 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,1,0,0,0,0|1,0,0]=2 2979 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,1,0,0,0,0|1,0,0]=2 2980 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,1,0,0,0,0|1,0,0]=2 2981 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,1,0,0,0,0|1,0,0]=2 2982 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [0,1,0,0,0,0|1,0,1]=3 2983 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [0,1,0,0,0,0|1,0,1]=3 2984 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,1,0,0,0,0|1,0,1]=3 2985 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,1,0,0,0,0|1,0,1]=3 2986 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,1,0,0,0,0|1,0,0]=2 2987 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,1,0,0,0,0|1,0,0]=2 2988 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,1,0,0,0,0|1,0,0]=2 2989 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,1,0,0,0,0|1,0,0]=2 2990 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,1,0,0,0,0|1,0,0]=2 2991 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,1,0,0,0,0|1,0,0]=2 2992 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,1,0,0,0,0|1,0,0]=2 2993 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,1,0,0,0,0|1,0,0]=2 2994 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,1,0,0,0,0|1,0,0]=2 2995 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,1,0,0,0,0|1,0,0]=2 2996 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,1,0,0,0,0|1,0,0]=2 2997 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,1,0,0,0,0|1,0,0]=2 2998 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,1,0,0,0,0|1,0,0]=2 2999 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,1,0,0,0,0|1,0,0]=2 3000 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,1,0,0,0,0|1,0,0]=2 3001 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,1,0,0,0,0|1,0,0]=2 3002 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,1,0,0,0,0|1,0,0]=2 3003 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,1,0,0,0,0|2,0,0]=3 3004 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,1,0,0,0,0|1,0,0]=2 3005 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,1,0,0,0,0|1,0,0]=2 3006 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [0,1,0,0,0,0|1,0,1]=3 3007 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [0,1,0,0,0,0|1,0,1]=3 3008 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,1,0,0,0,0|1,0,0]=2 3009 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,1,0,0,0,0|1,0,0]=2 3010 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,1,0,0,0,0|1,0,0]=2 3011 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,1,0,0,0,0|1,0,0]=2 3012 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,1,0,0,0,0|1,0,0]=2 3013 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,1,0,0,0,0|1,0,0]=2 3014 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,1,0,0,0,0|1,0,0]=2 3015 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,1,0,0,0,0|1,0,0]=2 3016 B11R0.4 CCOC(=O)CCSCSC#N 62a_100000211825_100000765890 [0,1,0,0,0,0|2,0,1]=4 3017 B11R0.4 CCOC(=O)CCSCSC#N 62a_100000765890_100000211825 [0,1,0,0,0,0|2,0,1]=4 3018 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,1,0,0,0,0|1,0,0]=2 3019 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,1,0,0,0,0|1,0,0]=2 3020 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,1,0,0,0,0|1,0,0]=2 3021 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,1,0,0,0,0|1,0,0]=2 3022 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,1,0,0,0,0|1,0,0]=2 3023 B11R0.4 CCOC(=O)COCC#CCCl 34a_200000047223_100000188475 [0,1,0,0,0,0|1,0,2]=4 3024 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,1,0,0,0,0|1,0,0]=2 3025 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,1,0,0,0,0|1,0,0]=2 3026 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,1,0,0,0,0|1,0,0]=2 3027 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,1,0,0,0,0|1,0,0]=2 3028 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,1,0,0,0,0|1,0,0]=2 3029 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,1,0,0,0,0|1,0,0]=2 3030 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,1,0,0,0,0|1,0,0]=2 3031 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,1,0,0,0,0|1,0,0]=2 3032 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,1,0,0,0,0|1,0,0]=2 3033 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,1,0,0,0,0|1,0,0]=2 3034 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,1,0,0,0,0|1,0,0]=2 3035 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,1,0,0,0,0|1,0,0]=2 3036 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,1,0,0,0,0|1,0,0]=2 3037 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,1,0,0,0,0|1,0,0]=2 3038 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,1,0,0,0,0|1,0,0]=2 3039 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,1,0,0,0,0|1,0,0]=2 3040 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,1,0,0,0,0|1,0,0]=2 3041 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,1,0,0,0,0|1,0,0]=2 3042 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,1,0,0,0,0|1,0,0]=2 3043 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,1,0,0,0,0|1,0,0]=2 3044 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,1,0,0,0,0|1,0,0]=2 3045 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,1,0,0,0,0|1,0,0]=2 3046 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,1,0,0,0,0|1,0,0]=2 3047 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,1,0,0,0,0|2,0,0]=3 3048 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,1,0,0,0,0|2,0,0]=3 3049 B11R0.4 CCOC(=O)CSCC#CCO 62a_100000188475_200000047223 [0,1,0,0,0,0|1,0,2]=4 3050 B11R0.4 CCOC(=O)CSCC#CCO 62a_200000047223_100000188475 [0,1,0,0,0,0|1,0,2]=4 3051 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,1,0,0,0,0|1,0,1]=3 3052 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,1,0,0,0,0|1,0,1]=3 3053 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,1,0,0,0,0|1,0,1]=3 3054 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,1,0,0,0,0|1,0,1]=3 3055 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,1,0,0,0,0|1,0,0]=2 3056 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,1,0,0,0,0|1,0,0]=2 3057 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,1,0,0,0,0|1,0,0]=2 3058 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,1,0,0,0,0|1,0,0]=2 3059 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,1,0,0,0,0|1,0,0]=2 3060 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,1,0,0,0,0|1,0,0]=2 3061 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,1,0,0,0,0|2,0,0]=3 3062 B11R0.4 CCOC(=O)CSCCSC#N 62a_100000034367_100000188475 [0,1,0,0,0,0|2,0,1]=4 3063 B11R0.4 CCOC(=O)CSCCSC#N 62a_100000188475_100000034367 [0,1,0,0,0,0|2,0,1]=4 3064 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,1,0,0,0,0|1,0,0]=2 3065 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,1,0,0,0,0|1,0,0]=2 3066 B11R0.4 CCOC(=O)NCCOCC=O 34a_100000158857_200009817547 [0,1,0,0,0,0|2,0,1]=4 3067 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,1,0,0,0,0|2,0,0]=3 3068 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,1,0,0,0,0|2,0,0]=3 3069 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,1,0,0,0,0|2,0,0]=3 3070 B11R0.4 CCOC(=O)NCCSCC#N 62a_100011215382_200011445536 [0,1,0,0,0,0|2,0,1]=4 3071 B11R0.4 CCOC(=O)NCCSCC=O 62a_200015260668_200011445536 [0,1,0,0,0,0|2,0,1]=4 3072 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,1,0,0,0,0|2,0,0]=3 3073 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,1,0,0,0,0|2,0,0]=3 3074 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,1,0,0,0,0|2,0,0]=3 3075 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,1,0,0,0,0|2,0,0]=3 3076 B11R0.4 CCOC(=O)NN=CCSCC 62a_100000210202_100015372823 [0,1,0,0,0,0|2,0,1]=4 3077 B11R0.4 CCOC(=O)OCSCCC#N 62a_100011215226_100000075025 [0,1,0,0,0,0|2,0,1]=4 3078 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,1,0,0,0,0|2,0,0]=3 3079 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,1,0,0,0,0|2,0,0]=3 3080 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,1,0,0,0,0|2,0,0]=3 3081 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,1,0,0,0,0|2,0,0]=3 3082 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,1,0,0,0,0|0,0,0]=1 3083 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,1,0,0,0,0|3,0,0]=4 3084 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,1,0,0,0,0|3,0,0]=4 3085 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,1,0,0,0,0|3,0,0]=4 3086 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,1,0,0,0,0|3,0,0]=4 3087 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,1,0,0,0,0|3,0,0]=4 3088 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,1,0,0,0,0|3,0,0]=4 3089 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,1,0,0,0,0|3,0,0]=4 3090 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,1,0,0,0,0|3,0,0]=4 3091 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,1,0,0,0,0|3,0,0]=4 3092 B11R0.4 CCOCCCNC(=O)NNC 273464a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 3093 B11R0.4 CCOCCCNC(=O)NNC 512a_100000210961_100016993582 [0,1,0,0,0,0|3,0,0]=4 3094 B11R0.4 CCOCCCNC(=O)NNC 512a_100016993582_100000210961 [0,1,0,0,0,0|3,0,0]=4 3095 B11R0.4 CCOCCNCC(=O)NCO 2230a_102516460346_100000185155 [0,1,0,0,0,0|3,0,0]=4 3096 B11R0.4 CCOCCNCC(=O)NCO 34a_102516460346_100000185155 [0,1,0,0,0,0|3,0,0]=4 3097 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,1,0,0,0,0|1,0,0]=2 3098 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,1,0,0,0,0|1,0,0]=2 3099 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,1,0,0,0,0|3,0,0]=4 3100 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,1,0,0,0,0|3,0,0]=4 3101 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,1,0,0,0,0|1,0,0]=2 3102 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,1,0,0,0,0|1,0,0]=2 3103 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,1,0,0,0,0|1,0,0]=2 3104 B11R0.4 CCOCCSCC(=O)NCO 62a_100000185155_100011215890 [0,1,0,0,0,0|3,0,0]=4 3105 B11R0.4 CCOCCSCC(=O)NCO 62a_100000210147_100000185155 [0,1,0,0,0,0|3,0,0]=4 3106 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,1,0,0,0,0|1,0,0]=2 3107 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,1,0,0,0,0|1,0,0]=2 3108 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,1,0,0,0,0|1,0,0]=2 3109 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,1,0,0,0,0|1,0,0]=2 3110 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,1,0,0,0,0|1,0,0]=2 3111 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,1,0,0,0,0|2,0,0]=3 3112 B11R0.4 CCSCCNCC(=O)NCO 2230a_100000106463_100000185155 [0,1,0,0,0,0|3,0,0]=4 3113 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,1,0,0,0,0|3,0,0]=4 3114 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,1,0,0,0,0|3,0,0]=4 3115 B11R0.4 CCSCCSCC(=O)NCO 62a_100000185155_100000757381 [0,1,0,0,0,0|3,0,0]=4 3116 B11R0.4 CCSCCSCC(=O)NCO 62a_100000757381_100000185155 [0,1,0,0,0,0|3,0,0]=4 3117 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,1,0,0,0,0|3,0,0]=4 3118 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,1,0,0,0,0|2,0,0]=3 3119 B11R0.4 CNNC(=O)CCOCCOC 22a_100016993582_100000745395 [0,1,0,0,0,0|3,0,0]=4 3120 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 3121 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,1,0,0,0,0|3,0,0]=4 3122 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,1,0,0,0,0|3,0,0]=4 3123 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,1,0,0,0,0|2,0,1]=4 3124 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,1,0,0,0,0|2,0,0]=3 3125 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,1,0,0,0,0|2,0,0]=3 3126 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,1,0,0,0,0|3,0,0]=4 3127 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,1,0,0,0,0|2,0,1]=4 3128 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,1,0,0,0,0|2,0,0]=3 3129 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,1,0,0,0,0|2,0,0]=3 3130 B11R0.4 COCCCNCC(=O)NCO 34a_100150723488_100000185155 [0,1,0,0,0,0|3,0,0]=4 3131 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,1,0,0,0,0|3,0,0]=4 3132 B11R0.4 COCCCSCC(=O)NCO 62a_100000185155_100000709357 [0,1,0,0,0,0|3,0,0]=4 3133 B11R0.4 COCCCSCC(=O)NCO 62a_100000709357_100000185155 [0,1,0,0,0,0|3,0,0]=4 3134 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,1,0,0,0,0|3,0,0]=4 3135 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,1,0,0,0,0|3,0,0]=4 3136 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,1,0,0,0,0|3,0,0]=4 3137 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,1,0,0,0,0|3,0,0]=4 3138 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [0,1,0,0,0,0|3,0,0]=4 3139 B11R0.4 CSCC(=O)CCCCCC#N 1458a_100000184570_100009813376 [0,1,0,0,0,0|2,0,1]=4 3140 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,1,0,0,0,0|2,0,0]=3 3141 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,1,0,0,0,0|2,0,0]=3 3142 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,1,0,0,0,0|3,0,0]=4 3143 B11R0.4 CSCCCNCC(=O)NCO 2230a_100000749238_100000185155 [0,1,0,0,0,0|3,0,0]=4 3144 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,1,0,0,0,0|3,0,0]=4 3145 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,1,0,0,0,0|3,0,0]=4 3146 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,1,0,0,0,0|2,0,1]=4 3147 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,1,0,0,0,0|2,0,1]=4 3148 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,1,0,0,0,0|2,0,1]=4 3149 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,1,0,0,0,0|2,0,1]=4 3150 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 3151 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,1,0,0,0,0|2,0,1]=4 3152 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,1,0,0,0,0|2,0,1]=4 3153 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,1,0,0,0,0|2,0,1]=4 3154 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,1,0,0,0,0|2,0,1]=4 3155 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,1,0,0,0,0|2,0,1]=4 3156 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,1,0,0,0,0|2,0,1]=4 3157 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,1,0,0,0,0|2,0,0]=3 3158 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,1,0,0,0,0|2,0,0]=3 3159 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,1,0,0,0,0|2,0,0]=3 3160 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,1,0,0,0,0|2,0,0]=3 3161 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,1,0,0,0,0|3,0,0]=4 3162 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 3163 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,1,0,0,0,0|3,0,0]=4 3164 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,1,0,0,0,0|3,0,0]=4 3165 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 3166 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 3167 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,1,0,0,0,0|3,0,0]=4 3168 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,1,0,0,0,0|3,0,0]=4 3169 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,1,0,0,0,0|3,0,0]=4 3170 B11R0.4 O=C(CSCCCCF)NCO 62a_100000185155_100000729493 [0,1,0,0,0,0|3,0,0]=4 3171 B11R0.4 O=C(CSCCCCF)NCO 62a_100000729493_100000185155 [0,1,0,0,0,0|3,0,0]=4 3172 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,1,0,0,0,0|3,0,0]=4 3173 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,1,0,0,0,0|3,0,0]=4 3174 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,1,0,0,0,0|0,0,3]=4 3175 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,1,0,0,0,0|0,0,3]=4 3176 B11R0.5 C#CCCN(C)CC(=O)OCC 2230a_100000220588_100000688953 [0,1,0,0,0,0|1,0,2]=4 3177 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000038162 [0,1,0,0,0,0|1,0,2]=4 3178 B11R0.5 C#CCSC(C)CC(=O)OCC 62a_100000038162_100009817359 [0,1,0,0,0,0|1,0,2]=4 3179 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,1,0,0,0,0|0,0,3]=4 3180 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,1,0,0,0,0|2,0,1]=4 3181 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,1,0,0,0,0|0,0,3]=4 3182 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,1,0,0,0,0|0,0,3]=4 3183 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100000220588_100000754431 [0,1,0,0,0,0|1,0,2]=4 3184 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100020639649_100000188475 [0,1,0,0,0,0|1,0,2]=4 3185 B11R0.5 C=CCCN(C)CC(=O)OCC 269982a_100020639649_100000188475 [0,1,0,0,0,0|1,0,2]=4 3186 B11R0.5 C=CCNC(C)CC(=O)OCC 2230a_100020586998_100009817359 [0,1,0,0,0,0|1,0,2]=4 3187 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015514636 [0,1,0,0,0,0|1,0,2]=4 3188 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100000210623_100009817359 [0,1,0,0,0,0|1,0,2]=4 3189 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100009817359_100000210623 [0,1,0,0,0,0|1,0,2]=4 3190 B11R0.5 C=COC(=O)CC(=O)CCCC 1458a_100000210183_100000036128 [0,1,0,0,0,0|0,0,3]=4 3191 B11R0.5 C=COC(=O)CN(C)CCCC 2230a_100000207549_100000036128 [0,1,0,0,0,0|1,0,2]=4 3192 B11R0.5 C=COC(=O)CN(C)CCCC 269982a_100000207549_100000036128 [0,1,0,0,0,0|1,0,2]=4 3193 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [0,1,0,0,0,0|0,0,3]=4 3194 B11R0.5 CC#CCN(C)CC(=O)OCC 2230a_100000220588_100000748600 [0,1,0,0,0,0|1,0,2]=4 3195 B11R0.5 CC=CC(=O)NC(C)CCCC 11a_100000126638_100000210699 [0,1,0,0,0,0|2,0,1]=4 3196 B11R0.5 CC=CC(=O)NC(C)CCCC 1626a_100000126638_100000210699 [0,1,0,0,0,0|2,0,1]=4 3197 B11R0.5 CC=CC(=O)NC(C)CCCC 240690a_100000126638_100000210699 [0,1,0,0,0,0|2,0,1]=4 3198 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,1,0,0,0,0|0,0,3]=4 3199 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,1,0,0,0,0|0,0,3]=4 3200 B11R0.5 CC=CCN(C)CC(=O)OCC 2230a_100000220588_100000070051 [0,1,0,0,0,0|1,0,2]=4 3201 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [0,1,0,0,0,0|0,0,3]=4 3202 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [0,1,0,0,0,0|0,0,3]=4 3203 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,1,0,0,0,0|2,0,1]=4 3204 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,1,0,0,0,0|2,0,1]=4 3205 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,1,0,0,0,0|2,0,1]=4 3206 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,1,0,0,0,0|2,0,1]=4 3207 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,1,0,0,0,0|3,0,0]=4 3208 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,1,0,0,0,0|3,0,0]=4 3209 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,1,0,0,0,0|3,0,0]=4 3210 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,1,0,0,0,0|3,0,0]=4 3211 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,1,0,0,0,0|3,0,0]=4 3212 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,1,0,0,0,0|3,0,0]=4 3213 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,0,0,0,0|1,0,1]=3 3214 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,1,0,0,0,0|1,0,1]=3 3215 B11R0.5 CCCCC(=O)CC(=O)NCO 1458a_100000210183_100000185155 [0,1,0,0,0,0|2,0,1]=4 3216 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,1,0,0,0,0|0,0,1]=2 3217 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,1,0,0,0,0|0,0,1]=2 3218 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,1,0,0,0,0|2,0,1]=4 3219 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,1,0,0,0,0|2,0,0]=3 3220 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,1,0,0,0,0|2,0,0]=3 3221 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,1,0,0,0,0|2,0,0]=3 3222 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,1,0,0,0,0|2,0,0]=3 3223 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [0,1,0,0,0,0|3,0,0]=4 3224 B11R0.5 CCCCC(C)NC(=O)COC 11a_100000126638_100000210968 [0,1,0,0,0,0|3,0,0]=4 3225 B11R0.5 CCCCC(C)NC(=O)COC 1626a_100000126638_100000210968 [0,1,0,0,0,0|3,0,0]=4 3226 B11R0.5 CCCCC(C)NC(=O)COC 240690a_100000126638_100000210968 [0,1,0,0,0,0|3,0,0]=4 3227 B11R0.5 CCCCC(C)NC(=O)COC 527a_100000126638_100000210968 [0,1,0,0,0,0|3,0,0]=4 3228 B11R0.5 CCCCC(C)NC(=O)CSC 11a_100000126638_100000184570 [0,1,0,0,0,0|3,0,0]=4 3229 B11R0.5 CCCCC(C)NC(=O)CSC 1626a_100000126638_100000184570 [0,1,0,0,0,0|3,0,0]=4 3230 B11R0.5 CCCCC(C)NC(=O)CSC 240690a_100000126638_100000184570 [0,1,0,0,0,0|3,0,0]=4 3231 B11R0.5 CCCCC(C)NC(=O)CSC 527a_100000126638_100000184570 [0,1,0,0,0,0|3,0,0]=4 3232 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [0,1,0,0,0,0|2,0,0]=3 3233 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [0,1,0,0,0,0|2,0,0]=3 3234 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [0,1,0,0,0,0|2,0,0]=3 3235 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [0,1,0,0,0,0|2,0,0]=3 3236 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [0,1,0,0,0,0|2,0,0]=3 3237 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [0,1,0,0,0,0|2,0,0]=3 3238 B11R0.5 CCCCC(C)NC(=O)NNC 273464a_100000126638_100016993582 [0,1,0,0,0,0|3,0,0]=4 3239 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100000126638_100016993582 [0,1,0,0,0,0|3,0,0]=4 3240 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100016993582_100000126638 [0,1,0,0,0,0|3,0,0]=4 3241 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,1,0,0,0,0|2,0,0]=3 3242 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,1,0,0,0,0|2,0,0]=3 3243 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [0,1,0,0,0,0|2,0,0]=3 3244 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [0,1,0,0,0,0|2,0,0]=3 3245 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [0,1,0,0,0,0|2,0,0]=3 3246 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [0,1,0,0,0,0|2,0,0]=3 3247 B11R0.5 CCCCN(C)CC(=O)NCO 2230a_100000207549_100000185155 [0,1,0,0,0,0|3,0,0]=4 3248 B11R0.5 CCCCN(C)CC(=O)NCO 269982a_100000207549_100000185155 [0,1,0,0,0,0|3,0,0]=4 3249 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,1,0,0,0,0|1,0,0]=2 3250 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,1,0,0,0,0|1,0,0]=2 3251 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,1,0,0,0,0|1,0,0]=2 3252 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,1,0,0,0,0|2,0,1]=4 3253 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,1,0,0,0,0|1,0,1]=3 3254 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,0|2,0,1]=4 3255 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,1,0,0,0,0|1,0,0]=2 3256 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,1,0,0,0,0|1,0,0]=2 3257 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,1,0,0,0,0|1,0,0]=2 3258 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,1,0,0,0,0|2,0,0]=3 3259 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,1,0,0,0,0|2,0,0]=3 3260 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [0,1,0,0,0,0|2,0,1]=4 3261 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [0,1,0,0,0,0|2,0,1]=4 3262 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,1,0,0,0,0|2,0,1]=4 3263 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [0,1,0,0,0,0|2,0,1]=4 3264 B11R0.5 CCNC(=O)CN(C)CCCF 2230a_100000741943_100011934791 [0,1,0,0,0,0|3,0,0]=4 3265 B11R0.5 CCNC(=O)CN(C)CCCF 269982a_100000741943_100011934791 [0,1,0,0,0,0|3,0,0]=4 3266 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183381 [0,1,0,0,0,0|3,0,0]=4 3267 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000741943_100000230001 [0,1,0,0,0,0|3,0,0]=4 3268 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183381 [0,1,0,0,0,0|3,0,0]=4 3269 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000741943_100011215043 [0,1,0,0,0,0|3,0,0]=4 3270 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000741943_100011201679 [0,1,0,0,0,0|3,0,0]=4 3271 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000743101_100000183381 [0,1,0,0,0,0|3,0,0]=4 3272 B11R0.5 CCNC(=O)CN(C)CCOC 240690a_100015525214_100015184299 [0,1,0,0,0,0|3,0,0]=4 3273 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000741943_100000233755 [0,1,0,0,0,0|3,0,0]=4 3274 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000743101_100000183381 [0,1,0,0,0,0|3,0,0]=4 3275 B11R0.5 CCNC(=O)CN(C)CCOC 527a_100015525214_100015184299 [0,1,0,0,0,0|3,0,0]=4 3276 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000686725_100000183381 [0,1,0,0,0,0|3,0,0]=4 3277 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000741943_100000751147 [0,1,0,0,0,0|3,0,0]=4 3278 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000686725_100000183381 [0,1,0,0,0,0|3,0,0]=4 3279 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000741943_100000212216 [0,1,0,0,0,0|3,0,0]=4 3280 B11R0.5 CCNC(=O)CN(C)COCC 269982a_100000741943_100000739092 [0,1,0,0,0,0|3,0,0]=4 3281 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,1,0,0,0,0|1,0,2]=4 3282 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [0,1,0,0,0,0|2,0,1]=4 3283 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,1,0,0,0,0|1,0,2]=4 3284 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,1,0,0,0,0|1,0,2]=4 3285 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,1,0,0,0,0|1,0,2]=4 3286 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,1,0,0,0,0|1,0,2]=4 3287 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,1,0,0,0,0|1,0,1]=3 3288 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,1,0,0,0,0|1,0,1]=3 3289 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,1,0,0,0,0|1,0,1]=3 3290 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,1,0,0,0,0|1,0,1]=3 3291 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,1,0,0,0,0|1,0,1]=3 3292 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,1,0,0,0,0|1,0,1]=3 3293 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,1,0,0,0,0|1,0,1]=3 3294 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,1,0,0,0,0|1,0,1]=3 3295 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,1,0,0,0,0|1,0,1]=3 3296 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [0,1,0,0,0,0|2,0,1]=4 3297 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [0,1,0,0,0,0|2,0,1]=4 3298 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [0,1,0,0,0,0|2,0,1]=4 3299 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,1,0,0,0,0|2,0,1]=4 3300 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,1,0,0,0,0|2,0,0]=3 3301 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100009817359_100011215382 [0,1,0,0,0,0|2,0,1]=4 3302 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100011215382_100009817359 [0,1,0,0,0,0|2,0,1]=4 3303 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_100009817359_200015260668 [0,1,0,0,0,0|2,0,1]=4 3304 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_200015260668_100009817359 [0,1,0,0,0,0|2,0,1]=4 3305 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,1,0,0,0,0|2,0,0]=3 3306 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,1,0,0,0,0|2,0,0]=3 3307 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,1,0,0,0,0|2,0,0]=3 3308 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,1,0,0,0,0|2,0,0]=3 3309 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,1,0,0,0,0|2,0,0]=3 3310 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,1,0,0,0,0|2,0,0]=3 3311 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,1,0,0,0,0|2,0,0]=3 3312 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,1,0,0,0,0|2,0,0]=3 3313 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000184479_100000188475 [0,1,0,0,0,0|2,0,1]=4 3314 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000220588_100011215226 [0,1,0,0,0,0|2,0,1]=4 3315 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,1,0,0,0,0|2,0,0]=3 3316 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 3317 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,1,0,0,0,0|2,0,0]=3 3318 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,1,0,0,0,0|2,0,0]=3 3319 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,1,0,0,0,0|2,0,0]=3 3320 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,1,0,0,0,0|2,0,0]=3 3321 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,1,0,0,0,0|2,0,0]=3 3322 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,1,0,0,0,0|2,0,0]=3 3323 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,1,0,0,0,0|2,0,0]=3 3324 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,1,0,0,0,0|2,0,0]=3 3325 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 7a_100009816390_100011215382 [0,1,0,0,0,0|2,0,1]=4 3326 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [0,1,0,0,0,0|2,0,1]=4 3327 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,1,0,0,0,0|2,0,0]=3 3328 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,1,0,0,0,0|2,0,0]=3 3329 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,1,0,0,0,0|1,0,0]=2 3330 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,1,0,0,0,0|1,0,0]=2 3331 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [0,1,0,0,0,0|2,0,0]=3 3332 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [0,1,0,0,0,0|2,0,0]=3 3333 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [0,1,0,0,0,0|2,0,1]=4 3334 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100000036008_100011217306 [0,1,0,0,0,0|3,0,0]=4 3335 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100011217306_100000036008 [0,1,0,0,0,0|3,0,0]=4 3336 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000036008_100000211926 [0,1,0,0,0,0|3,0,0]=4 3337 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000211926_100000036008 [0,1,0,0,0,0|3,0,0]=4 3338 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000036008_100000766300 [0,1,0,0,0,0|3,0,0]=4 3339 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000766300_100000036008 [0,1,0,0,0,0|3,0,0]=4 3340 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100000036008_100011218213 [0,1,0,0,0,0|3,0,0]=4 3341 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100011218213_100000036008 [0,1,0,0,0,0|3,0,0]=4 3342 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,1,0,0,0,0|1,0,2]=4 3343 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,1,0,0,0,0|1,0,1]=3 3344 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,1,0,0,0,0|1,0,0]=2 3345 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,1,0,0,0,0|0,0,3]=4 3346 B11R0.62 C#CCC(C)OCC(=O)OCC 34a_100000685586_100000188475 [0,1,0,0,0,0|1,0,2]=4 3347 B11R0.62 C#CCC(C)OCC(=O)OCC 7a_100000685586_100000188475 [0,1,0,0,0,0|1,0,2]=4 3348 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000225692_100011206558 [0,1,0,0,0,0|1,0,2]=4 3349 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000745921_100000038162 [0,1,0,0,0,0|1,0,2]=4 3350 B11R0.62 C#CCN(C)CCC(=O)OCC 34a_100000225692_100000765890 [0,1,0,0,0,0|1,0,2]=4 3351 B11R0.62 C/C=C/C(C)OCC(=O)OCC 34a_200102604097_100000188475 [0,1,0,0,0,0|1,0,2]=4 3352 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,1,0,0,0,0|0,0,3]=4 3353 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000225617_100011206558 [0,1,0,0,0,0|1,0,2]=4 3354 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000745921_100000210623 [0,1,0,0,0,0|1,0,2]=4 3355 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000225617_100011206558 [0,1,0,0,0,0|1,0,2]=4 3356 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000745921_100000210623 [0,1,0,0,0,0|1,0,2]=4 3357 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 34a_100000731007_100000188475 [0,1,0,0,0,0|1,0,2]=4 3358 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 7a_100000731007_100000188475 [0,1,0,0,0,0|1,0,2]=4 3359 B11R0.62 C=COC(=O)CNC(C)CCC 2230a_100000741246_100000036128 [0,1,0,0,0,0|1,0,2]=4 3360 B11R0.62 C=COC(=O)COC(C)CCC 34a_100000764384_100000036128 [0,1,0,0,0,0|1,0,2]=4 3361 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000036128_100000766640 [0,1,0,0,0,0|1,0,2]=4 3362 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000766640_100000036128 [0,1,0,0,0,0|1,0,2]=4 3363 B11R0.62 CC#CC(C)OCC(=O)OCC 34a_100011216543_100000188475 [0,1,0,0,0,0|1,0,2]=4 3364 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,1,0,0,0,0|0,0,3]=4 3365 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,1,0,0,0,0|1,0,1]=3 3366 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,1,0,0,0,0|0,0,1]=2 3367 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,1,0,0,0,0|1,0,1]=3 3368 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,1,0,0,0,0|2,0,0]=3 3369 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,1,0,0,0,0|3,0,0]=4 3370 B11R0.62 CCCC(=O)CN[C@H](C)COC 2230a_100000764878_100000747444 [0,1,0,0,0,0|3,0,0]=4 3371 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,1,0,0,0,0|2,0,1]=4 3372 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,1,0,0,0,0|2,0,0]=3 3373 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,1,0,0,0,0|2,0,0]=3 3374 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,1,0,0,0,0|2,0,0]=3 3375 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,1,0,0,0,0|3,0,0]=4 3376 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,1,0,0,0,0|3,0,0]=4 3377 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000747444_100000765312 [0,1,0,0,0,0|3,0,0]=4 3378 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000765312_100000747444 [0,1,0,0,0,0|3,0,0]=4 3379 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,1,0,0,0,0|2,0,1]=4 3380 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,1,0,0,0,0|2,0,1]=4 3381 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,1,0,0,0,0|2,0,1]=4 3382 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,1,0,0,0,0|2,0,1]=4 3383 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,1,0,0,0,0|1,0,1]=3 3384 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,1,0,0,0,0|3,0,0]=4 3385 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,1,0,0,0,0|3,0,0]=4 3386 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,1,0,0,0,0|3,0,0]=4 3387 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,1,0,0,0,0|3,0,0]=4 3388 B11R0.62 CCCC(C)CCC(C)NCC 270004a_100015525214_200011216527 [0,1,0,0,0,0|2,0,1]=4 3389 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,1,0,0,0,0|2,0,0]=3 3390 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,1,0,0,0,0|2,0,0]=3 3391 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,1,0,0,0,0|2,0,0]=3 3392 B11R0.62 CCCC(C)NCC(=O)NCO 2230a_100000741246_100000185155 [0,1,0,0,0,0|3,0,0]=4 3393 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,1,0,0,0,0|1,0,0]=2 3394 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,1,0,0,0,0|2,0,0]=3 3395 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,1,0,0,0,0|2,0,0]=3 3396 B11R0.62 CCCC(C)OCC(=O)NCO 34a_100000764384_100000185155 [0,1,0,0,0,0|3,0,0]=4 3397 B11R0.62 CCCC(C)OCC(=O)NCO 7a_100000764384_100000185155 [0,1,0,0,0,0|3,0,0]=4 3398 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,1,0,0,0,0|1,0,0]=2 3399 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,1,0,0,0,0|1,0,0]=2 3400 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,1,0,0,0,0|2,0,0]=3 3401 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,1,0,0,0,0|2,0,0]=3 3402 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000185155_100000766640 [0,1,0,0,0,0|3,0,0]=4 3403 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000766640_100000185155 [0,1,0,0,0,0|3,0,0]=4 3404 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,1,0,0,0,0|1,0,0]=2 3405 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,1,0,0,0,0|1,0,0]=2 3406 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,1,0,0,0,0|2,0,0]=3 3407 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,1,0,0,0,0|2,0,0]=3 3408 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,1,0,0,0,0|1,0,0]=2 3409 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,1,0,0,0,0|1,0,0]=2 3410 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,1,0,0,0,0|1,0,0]=2 3411 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,1,0,0,0,0|1,0,0]=2 3412 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,1,0,0,0,0|2,0,1]=4 3413 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,1,0,0,0,0|2,0,1]=4 3414 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,1,0,0,0,0|2,0,1]=4 3415 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,1,0,0,0,0|2,0,1]=4 3416 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,1,0,0,0,0|1,0,1]=3 3417 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,1,0,0,0,0|1,0,1]=3 3418 B11R0.62 CCNC(=O)CCN(C)CCO 2230a_100000210263_100000737597 [0,1,0,0,0,0|3,0,0]=4 3419 B11R0.62 CCNC(=O)CCN(C)CCO 269982a_100000210263_100000737597 [0,1,0,0,0,0|3,0,0]=4 3420 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,1,0,0,0,0|2,0,1]=4 3421 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,1,0,0,0,0|2,0,1]=4 3422 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,1,0,0,0,0|2,0,1]=4 3423 B11R0.62 CCNC(=O)CNC(C)CCO 2230a_100016988866_100009893172 [0,1,0,0,0,0|3,0,0]=4 3424 B11R0.62 CCNC(=O)CNC(C)COC 2230a_100016988866_100000765312 [0,1,0,0,0,0|3,0,0]=4 3425 B11R0.62 CCNC(=O)CNC(C)COC 270004a_100016988866_100000749346 [0,1,0,0,0,0|3,0,0]=4 3426 B11R0.62 CCNC(=O)CNC(C)CSC 270004a_100016988866_100011216314 [0,1,0,0,0,0|3,0,0]=4 3427 B11R0.62 CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183381 [0,1,0,0,0,0|3,0,0]=4 3428 B11R0.62 CCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183381 [0,1,0,0,0,0|3,0,0]=4 3429 B11R0.62 CCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183381 [0,1,0,0,0,0|3,0,0]=4 3430 B11R0.62 CCNC(=O)COC(C)CCBr 34a_100012276601_100000183381 [0,1,0,0,0,0|3,0,0]=4 3431 B11R0.62 CCNC(=O)CO[C@H](C)COC 34a_100011934205_100000183381 [0,1,0,0,0,0|3,0,0]=4 3432 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100000183381_100009893172 [0,1,0,0,0,0|3,0,0]=4 3433 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100009893172_100000183381 [0,1,0,0,0,0|3,0,0]=4 3434 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000183381_100000765312 [0,1,0,0,0,0|3,0,0]=4 3435 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000765312_100000183381 [0,1,0,0,0,0|3,0,0]=4 3436 B11R0.62 CCNC(=O)NCC(O)COC 2708a_100015525214_100000756049 [0,1,0,0,0,0|3,0,0]=4 3437 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100000756049_100015525214 [0,1,0,0,0,0|3,0,0]=4 3438 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100015525214_100000756049 [0,1,0,0,0,0|3,0,0]=4 3439 B11R0.62 CCNC(=O)NCC(O)COC 512a_100000756049_100015525214 [0,1,0,0,0,0|3,0,0]=4 3440 B11R0.62 CCNC(=O)NCC(O)COC 512a_100015525214_100000756049 [0,1,0,0,0,0|3,0,0]=4 3441 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,1,0,0,0,0|1,0,0]=2 3442 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,1,0,0,0,0|1,0,2]=4 3443 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,1,0,0,0,0|1,0,1]=3 3444 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,1,0,0,0,0|1,0,1]=3 3445 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,1,0,0,0,0|1,0,0]=2 3446 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,1,0,0,0,0|1,0,0]=2 3447 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,1,0,0,0,0|1,0,0]=2 3448 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,1,0,0,0,0|2,0,0]=3 3449 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,1,0,0,0,0|2,0,0]=3 3450 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000745921_100011215382 [0,1,0,0,0,0|2,0,1]=4 3451 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000748184_100011206558 [0,1,0,0,0,0|2,0,1]=4 3452 B11R0.62 CCOC(=O)CCN(C)CC#N 269982a_100000745921_100011214920 [0,1,0,0,0,0|2,0,1]=4 3453 B11R0.62 CCOC(=O)CCN(C)CC=O 2230a_100000745921_200015260668 [0,1,0,0,0,0|2,0,1]=4 3454 B11R0.62 CCOC(=O)CCN(C)CC=O 269982a_100000745921_200015260668 [0,1,0,0,0,0|2,0,1]=4 3455 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,1,0,0,0,0|2,0,0]=3 3456 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,1,0,0,0,0|2,0,0]=3 3457 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,1,0,0,0,0|2,0,0]=3 3458 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,1,0,0,0,0|2,0,0]=3 3459 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,1,0,0,0,0|2,0,0]=3 3460 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,1,0,0,0,0|2,0,0]=3 3461 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,1,0,0,0,0|2,0,0]=3 3462 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,1,0,0,0,0|2,0,0]=3 3463 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,1,0,0,0,0|2,0,0]=3 3464 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,1,0,0,0,0|2,0,0]=3 3465 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,1,0,0,0,0|2,0,1]=4 3466 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,1,0,0,0,0|2,0,1]=4 3467 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,1,0,0,0,0|2,0,1]=4 3468 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,1,0,0,0,0|2,0,1]=4 3469 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,1,0,0,0,0|2,0,1]=4 3470 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,1,0,0,0,0|2,0,1]=4 3471 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,1,0,0,0,0|2,0,1]=4 3472 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,1,0,0,0,0|2,0,1]=4 3473 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,1,0,0,0,0|2,0,1]=4 3474 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,1,0,0,0,0|2,0,1]=4 3475 B11R0.62 CCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000188475 [0,1,0,0,0,0|2,0,1]=4 3476 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,1,0,0,0,0|2,0,0]=3 3477 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,1,0,0,0,0|2,0,0]=3 3478 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,1,0,0,0,0|2,0,0]=3 3479 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,1,0,0,0,0|2,0,0]=3 3480 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,1,0,0,0,0|2,0,0]=3 3481 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100000188475_100009813641 [0,1,0,0,0,0|2,0,1]=4 3482 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100009813641_100000188475 [0,1,0,0,0,0|2,0,1]=4 3483 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,1,0,0,0,0|2,0,0]=3 3484 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,1,0,0,0,0|2,0,0]=3 3485 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,1,0,0,0,0|2,0,0]=3 3486 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,1,0,0,0,0|2,0,0]=3 3487 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,1,0,0,0,0|2,0,1]=4 3488 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,1,0,0,0,0|2,0,1]=4 3489 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,1,0,0,0,0|1,0,1]=3 3490 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,1,0,0,0,0|1,0,1]=3 3491 B11R0.81 C#CCCC(=O)CCCCCF 1458a_100000692101_100000729378 [0,1,0,0,0,0|2,0,1]=4 3492 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,1,0,0,0,0|2,0,1]=4 3493 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,1,0,0,0,0|2,0,1]=4 3494 B11R0.81 C#CCCC(=O)CCCCOC 1458a_100000692101_100000755781 [0,1,0,0,0,0|2,0,1]=4 3495 B11R0.81 C#CCCC(=O)CCCOCC 1458a_100000692101_100012232248 [0,1,0,0,0,0|2,0,1]=4 3496 B11R0.81 C#CCCC(=O)CCOCCC 1458a_100000692101_100011215938 [0,1,0,0,0,0|2,0,1]=4 3497 B11R0.81 C#CCCC(=O)CCOCCC 34a_100011064465_100000210303 [0,1,0,0,0,0|2,0,1]=4 3498 B11R0.81 C#CCCC(=O)CCOCCC 7a_100011064465_100000210303 [0,1,0,0,0,0|2,0,1]=4 3499 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [0,1,0,0,0,0|2,0,1]=4 3500 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [0,1,0,0,0,0|2,0,1]=4 3501 B11R0.81 C#CCCC(=O)CSCCCC 1458a_100000191162_100000753159 [0,1,0,0,0,0|2,0,1]=4 3502 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,1,0,0,0,0|2,0,1]=4 3503 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,1,0,0,0,0|2,0,1]=4 3504 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,1,0,0,0,0|2,0,1]=4 3505 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,1,0,0,0,0|2,0,1]=4 3506 B11R0.81 C#CCCCCC(=O)C#CCC 1458a_100011827653_100010269958 [0,1,0,0,0,0|1,0,2]=4 3507 B11R0.81 C#CCCCCC(=O)C=CCC 1458a_100000212282_100010269958 [0,1,0,0,0,0|1,0,2]=4 3508 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,1,0,0,0,0|1,0,2]=4 3509 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,1,0,0,0,0|1,0,2]=4 3510 B11R0.81 C#CCCCCC(=O)CCCF 1458a_100000696528_100011934791 [0,1,0,0,0,0|1,0,2]=4 3511 B11R0.81 C#CCCCCC(=O)CCCO 1458a_100000696528_100011215043 [0,1,0,0,0,0|1,0,2]=4 3512 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000696528_100000233755 [0,1,0,0,0,0|1,0,2]=4 3513 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000749529_100010269958 [0,1,0,0,0,0|1,0,2]=4 3514 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000174002_100010269958 [0,1,0,0,0,0|1,0,2]=4 3515 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000696528_100000751147 [0,1,0,0,0,0|1,0,2]=4 3516 B11R0.81 C#CCCCCC(=O)COCC 1458a_100000211967_100010269958 [0,1,0,0,0,0|0,0,2]=3 3517 B11R0.81 C#CCCCCC(=O)CSCC 1458a_100000230394_100010269958 [0,1,0,0,0,0|0,1,2]=4 3518 B11R0.81 C#CCCCCC(=O)NCCC 11a_100020643023_100000696528 [0,1,0,0,0,0|1,0,2]=4 3519 B11R0.81 C#CCCCCC(=O)NCCC 1626a_100020643023_100000696528 [0,1,0,0,0,0|1,0,2]=4 3520 B11R0.81 C#CCCCCC(=O)NCCC 240690a_100020643023_100000696528 [0,1,0,0,0,0|1,0,2]=4 3521 B11R0.81 C#CCCCCC(=O)NCCC 527a_100020643023_100000696528 [0,1,0,0,0,0|1,0,2]=4 3522 B11R0.81 C#CCCCCC(=O)NCCF 11a_100000724931_100000696528 [0,1,0,0,0,0|1,0,2]=4 3523 B11R0.81 C#CCCCCC(=O)NCCF 1626a_100000724931_100000696528 [0,1,0,0,0,0|1,0,2]=4 3524 B11R0.81 C#CCCCCC(=O)NCCF 240690a_100000724931_100000696528 [0,1,0,0,0,0|1,0,2]=4 3525 B11R0.81 C#CCCCCC(=O)NCCF 527a_100000724931_100000696528 [0,1,0,0,0,0|1,0,2]=4 3526 B11R0.81 C#CCCCCC(=O)NCCO 240690a_100000210304_100000696528 [0,1,0,0,0,0|1,0,2]=4 3527 B11R0.81 C#CCCCCC(=O)NCCO 527a_100000210304_100000696528 [0,1,0,0,0,0|1,0,2]=4 3528 B11R0.81 C#CCCCCC(=O)NNCC 22a_100000756455_100000696528 [0,1,0,0,0,0|1,0,2]=4 3529 B11R0.81 C#CCCCNC(=O)COCC 11a_100000718082_100000211967 [0,1,0,0,0,0|1,0,2]=4 3530 B11R0.81 C#CCCCNC(=O)COCC 1626a_100000718082_100000211967 [0,1,0,0,0,0|1,0,2]=4 3531 B11R0.81 C#CCCCNC(=O)COCC 240690a_100000718082_100000211967 [0,1,0,0,0,0|1,0,2]=4 3532 B11R0.81 C#CCCCNC(=O)COCC 527a_100000718082_100000211967 [0,1,0,0,0,0|1,0,2]=4 3533 B11R0.81 C#CCCNCC(=O)OCCC 34a_100000755551_200011215008 [0,1,0,0,0,0|1,0,2]=4 3534 B11R0.81 C#CCCOCC(=O)OCCC 34a_100011215631_200011215008 [0,1,0,0,0,0|1,0,2]=4 3535 B11R0.81 C#CCCSCC(=O)OCCC 62a_100000688953_200011215008 [0,1,0,0,0,0|1,0,2]=4 3536 B11R0.81 C#CCCSCC(=O)OCCC 62a_200011215008_100000688953 [0,1,0,0,0,0|1,0,2]=4 3537 B11R0.81 C#CCNC(=O)CCCCCC 11a_100000212058_100102632555 [0,1,0,0,0,0|1,0,1]=3 3538 B11R0.81 C#CCNC(=O)CCCCCC 1626a_100000212058_100102632555 [0,1,0,0,0,0|1,0,1]=3 3539 B11R0.81 C#CCNC(=O)CCCCCC 240690a_100000212058_100102632555 [0,1,0,0,0,0|1,0,1]=3 3540 B11R0.81 C#CCNC(=O)CCCCCC 527a_100000212058_100102632555 [0,1,0,0,0,0|1,0,1]=3 3541 B11R0.81 C#CCNC(=O)CCCCCO 240690a_100000212058_100102619762 [0,1,0,0,0,0|2,0,1]=4 3542 B11R0.81 C#CCNC(=O)CNCCCC 2230a_100000747989_100000210211 [0,1,0,0,0,0|2,0,1]=4 3543 B11R0.81 C#CCNC(=O)CNCCCC 34a_100000747989_100000210210 [0,1,0,0,0,0|2,0,1]=4 3544 B11R0.81 C#CCNC(=O)COCCCC 11a_100000212058_100000757543 [0,1,0,0,0,0|2,0,1]=4 3545 B11R0.81 C#CCNC(=O)COCCCC 1626a_100000212058_100000757543 [0,1,0,0,0,0|2,0,1]=4 3546 B11R0.81 C#CCNC(=O)COCCCC 240690a_100000212058_100000757543 [0,1,0,0,0,0|2,0,1]=4 3547 B11R0.81 C#CCNC(=O)COCCCC 527a_100000212058_100000757543 [0,1,0,0,0,0|2,0,1]=4 3548 B11R0.81 C#CCNC(=O)CSCCCC 11a_100000212058_100000191162 [0,1,0,0,0,0|2,0,1]=4 3549 B11R0.81 C#CCNC(=O)CSCCCC 1626a_100000212058_100000191162 [0,1,0,0,0,0|2,0,1]=4 3550 B11R0.81 C#CCNC(=O)CSCCCC 240690a_100000212058_100000191162 [0,1,0,0,0,0|2,0,1]=4 3551 B11R0.81 C#CCNC(=O)CSCCCC 527a_100000212058_100000191162 [0,1,0,0,0,0|2,0,1]=4 3552 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000209983_100000212058 [0,1,0,0,0,0|2,0,1]=4 3553 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000212058_100000209983 [0,1,0,0,0,0|2,0,1]=4 3554 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000209983_100000212058 [0,1,0,0,0,0|2,0,1]=4 3555 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000212058_100000209983 [0,1,0,0,0,0|2,0,1]=4 3556 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000209983_100000212058 [0,1,0,0,0,0|2,0,1]=4 3557 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000212058_100000209983 [0,1,0,0,0,0|2,0,1]=4 3558 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210247_100011215978 [0,1,0,0,0,0|1,0,2]=4 3559 B11R0.81 C#CCOC(C)CCCCCC 34a_100000210265_100000184674 [0,1,0,0,0,0|1,0,2]=4 3560 B11R0.81 C#CCOC(C)CCCCCC 7a_100000210265_100000038162 [0,1,0,0,0,0|1,0,2]=4 3561 B11R0.81 C#CCOCCC(=O)COCC 1458a_100000211967_100010402529 [0,1,0,0,0,0|1,0,2]=4 3562 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,1,0,0,0,0|1,0,1]=3 3563 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,1,0,0,0,0|2,0,1]=4 3564 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,1,0,0,0,0|2,0,1]=4 3565 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [0,1,0,0,0,0|2,0,1]=4 3566 B11R0.81 C/C=C/COCC(=O)OCCC 34a_100016270725_200011215008 [0,1,0,0,0,0|1,0,2]=4 3567 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_100102629194_200011215008 [0,1,0,0,0,0|1,0,2]=4 3568 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_200011215008_100102629194 [0,1,0,0,0,0|1,0,2]=4 3569 B11R0.81 C=C(CNCCCF)OCOC 34a_100015189416_100000042856 [0,1,0,0,0,0|3,0,0]=4 3570 B11R0.81 C=C(COCCCBr)OCOC 34a_100011217188_100000042856 [0,1,0,0,0,0|3,0,0]=4 3571 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [0,1,0,0,0,0|2,0,0]=3 3572 B11R0.81 C=C(COCCCCl)OCOC 34a_100000230001_100000042856 [0,1,0,0,0,0|3,0,0]=4 3573 B11R0.81 C=C(COCCCF)OCOC 34a_100000759539_100000042856 [0,1,0,0,0,0|3,0,0]=4 3574 B11R0.81 C=C(COCCCN)OCOC 34a_100000182051_100000042856 [0,1,0,0,0,0|3,0,0]=4 3575 B11R0.81 C=C(COCCOC)OCOC 34a_100000210237_100000042856 [0,1,0,0,0,0|3,0,0]=4 3576 B11R0.81 C=C(COCCSC)OCOC 34a_100000230434_100000042856 [0,1,0,0,0,0|3,0,0]=4 3577 B11R0.81 C=C(CSCCCC)OCOC 62a_100000042856_100000210210 [0,1,0,0,0,0|2,0,0]=3 3578 B11R0.81 C=C(CSCCCC)OCOC 62a_100000210211_100000042856 [0,1,0,0,0,0|2,0,0]=3 3579 B11R0.81 C=C(CSCCCF)OCOC 62a_100000042856_100011934791 [0,1,0,0,0,0|3,0,0]=4 3580 B11R0.81 C=C(CSCCCF)OCOC 62a_100011934791_100000042856 [0,1,0,0,0,0|3,0,0]=4 3581 B11R0.81 C=C(CSCCCO)OCOC 62a_100000042856_100011215043 [0,1,0,0,0,0|3,0,0]=4 3582 B11R0.81 C=C(CSCCCO)OCOC 62a_100011215043_100000042856 [0,1,0,0,0,0|3,0,0]=4 3583 B11R0.81 C=C(CSCCOC)OCOC 62a_100000042856_100000233755 [0,1,0,0,0,0|3,0,0]=4 3584 B11R0.81 C=C(CSCCOC)OCOC 62a_100000233755_100000042856 [0,1,0,0,0,0|3,0,0]=4 3585 B11R0.81 C=C(CSCCSC)OCOC 62a_100000042856_100000751147 [0,1,0,0,0,0|3,0,0]=4 3586 B11R0.81 C=C(CSCCSC)OCOC 62a_100000212216_100000042856 [0,1,0,0,0,0|3,0,0]=4 3587 B11R0.81 C=C(CSCOCC)OCOC 62a_100000042856_100000739092 [0,1,0,0,0,0|3,0,0]=4 3588 B11R0.81 C=C(CSCOCC)OCOC 62a_100000739092_100000042856 [0,1,0,0,0,0|3,0,0]=4 3589 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,1,0,0,0,0|1,0,2]=4 3590 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,1,0,0,0,0|1,0,1]=3 3591 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,1,0,0,0,0|1,0,1]=3 3592 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,1,0,0,0,0|2,0,1]=4 3593 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,1,0,0,0,0|2,0,1]=4 3594 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,1,0,0,0,0|2,0,1]=4 3595 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,1,0,0,0,0|2,0,1]=4 3596 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,1,0,0,0,0|2,0,1]=4 3597 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,1,0,0,0,0|2,0,1]=4 3598 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,1,0,0,0,0|2,0,1]=4 3599 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,1,0,0,0,0|2,0,1]=4 3600 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,1,0,0,0,0|2,0,1]=4 3601 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,1,0,0,0,0|2,0,1]=4 3602 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,1,0,0,0,0|2,0,1]=4 3603 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,1,0,0,0,0|2,0,1]=4 3604 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,1,0,0,0,0|2,0,1]=4 3605 B11R0.81 C=CCCCCC(=O)C#CCC 1458a_100011827653_100011215482 [0,1,0,0,0,0|1,0,2]=4 3606 B11R0.81 C=CCCCCC(=O)C=CCC 1458a_100000212282_100011215482 [0,1,0,0,0,0|1,0,2]=4 3607 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,1,0,0,0,0|1,0,2]=4 3608 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,1,0,0,0,0|1,0,2]=4 3609 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,1,0,0,0,0|1,0,2]=4 3610 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,1,0,0,0,0|1,0,2]=4 3611 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,1,0,0,0,0|1,0,2]=4 3612 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,1,0,0,0,0|1,0,2]=4 3613 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,1,0,0,0,0|1,0,2]=4 3614 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,1,0,0,0,0|1,0,2]=4 3615 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,1,0,0,0,0|0,0,2]=3 3616 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,1,0,0,0,0|0,1,2]=4 3617 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,1,0,0,0,0|1,0,2]=4 3618 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,1,0,0,0,0|1,0,2]=4 3619 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,1,0,0,0,0|1,0,2]=4 3620 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,1,0,0,0,0|1,0,2]=4 3621 B11R0.81 C=CCCCCC(=O)NCCF 11a_100000724931_100011215552 [0,1,0,0,0,0|1,0,2]=4 3622 B11R0.81 C=CCCCCC(=O)NCCF 1626a_100000724931_100011215552 [0,1,0,0,0,0|1,0,2]=4 3623 B11R0.81 C=CCCCCC(=O)NCCF 240690a_100000724931_100011215552 [0,1,0,0,0,0|1,0,2]=4 3624 B11R0.81 C=CCCCCC(=O)NCCF 527a_100000724931_100011215552 [0,1,0,0,0,0|1,0,2]=4 3625 B11R0.81 C=CCCCCC(=O)NCCO 240690a_100000210304_100011215552 [0,1,0,0,0,0|1,0,2]=4 3626 B11R0.81 C=CCCCCC(=O)NCCO 527a_100000210304_100011215552 [0,1,0,0,0,0|1,0,2]=4 3627 B11R0.81 C=CCCCCC(=O)NNCC 22a_100000756455_100011215552 [0,1,0,0,0,0|1,0,2]=4 3628 B11R0.81 C=CCCCNC(=O)COCC 11a_100000700776_100000211967 [0,1,0,0,0,0|1,0,2]=4 3629 B11R0.81 C=CCCCNC(=O)COCC 1626a_100000700776_100000211967 [0,1,0,0,0,0|1,0,2]=4 3630 B11R0.81 C=CCCCNC(=O)COCC 240690a_100000700776_100000211967 [0,1,0,0,0,0|1,0,2]=4 3631 B11R0.81 C=CCCCNC(=O)COCC 527a_100000700776_100000211967 [0,1,0,0,0,0|1,0,2]=4 3632 B11R0.81 C=CCCNCC(=O)OCCC 2230a_100015191253_200011215008 [0,1,0,0,0,0|1,0,2]=4 3633 B11R0.81 C=CCCOCC(=O)OCCC 34a_100011205117_200011215008 [0,1,0,0,0,0|1,0,2]=4 3634 B11R0.81 C=CCCSCC(=O)OCCC 62a_100000754431_200011215008 [0,1,0,0,0,0|1,0,2]=4 3635 B11R0.81 C=CCCSCC(=O)OCCC 62a_200011215008_100000754431 [0,1,0,0,0,0|1,0,2]=4 3636 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,1,0,0,0,0|1,0,1]=3 3637 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,1,0,0,0,0|1,0,1]=3 3638 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,1,0,0,0,0|1,0,1]=3 3639 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [0,1,0,0,0,0|2,0,1]=4 3640 B11R0.81 C=CCNC(=O)CCSCCC 62a_100000210303_100011222895 [0,1,0,0,0,0|2,0,1]=4 3641 B11R0.81 C=CCNC(=O)CCSCCC 62a_100011222895_100000210303 [0,1,0,0,0,0|2,0,1]=4 3642 B11R0.81 C=CCNC(=O)CNCCCC 2230a_100000102301_100000183597 [0,1,0,0,0,0|2,0,1]=4 3643 B11R0.81 C=CCNC(=O)CNCCCC 7a_106832991798_100000183597 [0,1,0,0,0,0|2,0,1]=4 3644 B11R0.81 C=CCNC(=O)COCCCC 1626a_100020586998_100000757543 [0,1,0,0,0,0|2,0,1]=4 3645 B11R0.81 C=CCNC(=O)COCCCC 240690a_100020586998_100000757543 [0,1,0,0,0,0|2,0,1]=4 3646 B11R0.81 C=CCNC(=O)COCCCC 527a_100020586998_100000757543 [0,1,0,0,0,0|2,0,1]=4 3647 B11R0.81 C=CCNC(=O)COCCCC 7a_100000210227_100000183597 [0,1,0,0,0,0|2,0,1]=4 3648 B11R0.81 C=CCNC(=O)CSCCCC 1626a_100020586998_100000191162 [0,1,0,0,0,0|2,0,1]=4 3649 B11R0.81 C=CCNC(=O)CSCCCC 240690a_100020586998_100000191162 [0,1,0,0,0,0|2,0,1]=4 3650 B11R0.81 C=CCNC(=O)CSCCCC 527a_100020586998_100000191162 [0,1,0,0,0,0|2,0,1]=4 3651 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000183597_100000210210 [0,1,0,0,0,0|2,0,1]=4 3652 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000210211_100000183597 [0,1,0,0,0,0|2,0,1]=4 3653 B11R0.81 C=CCNC(=O)NCCCCC 2708a_100000209983_100020586998 [0,1,0,0,0,0|2,0,1]=4 3654 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100000209983_100020586998 [0,1,0,0,0,0|2,0,1]=4 3655 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100020586998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3656 B11R0.81 C=CCNC(=O)NCCCCC 512a_100000209983_100020586998 [0,1,0,0,0,0|2,0,1]=4 3657 B11R0.81 C=CCNC(=O)NCCCCC 512a_100020586998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3658 B11R0.81 C=CCOC(=O)CNCCCC 2230a_100000102301_100000033060 [0,1,0,0,0,0|1,0,1]=3 3659 B11R0.81 C=CCOC(=O)CNCCCC 7a_106832991798_100000033060 [0,1,0,0,0,0|1,0,1]=3 3660 B11R0.81 C=CCOC(=O)CNCCCF 2230a_100015189416_100000033060 [0,1,0,0,0,0|2,0,1]=4 3661 B11R0.81 C=CCOC(=O)CNCCCF 34a_100015189416_100000033060 [0,1,0,0,0,0|2,0,1]=4 3662 B11R0.81 C=CCOC(=O)CNCCOC 2230a_100000209980_100000033060 [0,1,0,0,0,0|2,0,1]=4 3663 B11R0.81 C=CCOC(=O)CNCCSC 2230a_100020590264_100000033060 [0,1,0,0,0,0|2,0,1]=4 3664 B11R0.81 C=CCOC(=O)COCCCBr 34a_100011217188_100000033060 [0,1,0,0,0,0|2,0,1]=4 3665 B11R0.81 C=CCOC(=O)COCCCC 34a_100000210227_100000033060 [0,1,0,0,0,0|1,0,1]=3 3666 B11R0.81 C=CCOC(=O)COCCCC 7a_100000210227_100000033060 [0,1,0,0,0,0|1,0,1]=3 3667 B11R0.81 C=CCOC(=O)COCCCCl 34a_100000230001_100000033060 [0,1,0,0,0,0|2,0,1]=4 3668 B11R0.81 C=CCOC(=O)COCCCF 34a_100000759539_100000033060 [0,1,0,0,0,0|2,0,1]=4 3669 B11R0.81 C=CCOC(=O)COCCCN 34a_100000182051_100000033060 [0,1,0,0,0,0|2,0,1]=4 3670 B11R0.81 C=CCOC(=O)COCCOC 34a_100000210237_100000033060 [0,1,0,0,0,0|2,0,1]=4 3671 B11R0.81 C=CCOC(=O)COCCSC 34a_100000230434_100000033060 [0,1,0,0,0,0|2,0,1]=4 3672 B11R0.81 C=CCOC(=O)COCCSC 7a_100000230434_100000033060 [0,1,0,0,0,0|2,0,1]=4 3673 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000033060_100000210210 [0,1,0,0,0,0|1,0,1]=3 3674 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000210211_100000033060 [0,1,0,0,0,0|1,0,1]=3 3675 B11R0.81 C=CCOC(=O)CSCCCF 62a_100000033060_100011934791 [0,1,0,0,0,0|2,0,1]=4 3676 B11R0.81 C=CCOC(=O)CSCCCF 62a_100011934791_100000033060 [0,1,0,0,0,0|2,0,1]=4 3677 B11R0.81 C=CCOC(=O)CSCCCO 62a_100000033060_100011215043 [0,1,0,0,0,0|2,0,1]=4 3678 B11R0.81 C=CCOC(=O)CSCCCO 62a_100011215043_100000033060 [0,1,0,0,0,0|2,0,1]=4 3679 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000033060_100000233755 [0,1,0,0,0,0|2,0,1]=4 3680 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000233755_100000033060 [0,1,0,0,0,0|2,0,1]=4 3681 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000033060_100000751147 [0,1,0,0,0,0|2,0,1]=4 3682 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000212216_100000033060 [0,1,0,0,0,0|2,0,1]=4 3683 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000033060_100000739092 [0,1,0,0,0,0|2,0,1]=4 3684 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000739092_100000033060 [0,1,0,0,0,0|2,0,1]=4 3685 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,1,0,0,0,0|1,0,2]=4 3686 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,1,0,0,0,0|1,0,2]=4 3687 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,1,0,0,0,0|1,0,2]=4 3688 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [0,1,0,0,0,0|1,0,1]=3 3689 B11R0.81 CC#CCC(=O)CCCCCO 1458a_100102619762_100000748600 [0,1,0,0,0,0|2,0,1]=4 3690 B11R0.81 CC#CCC(=O)COCCCC 1458a_100000757543_100000748600 [0,1,0,0,0,0|2,0,1]=4 3691 B11R0.81 CC#CCC(=O)CSCCCC 1458a_100000191162_100000748600 [0,1,0,0,0,0|2,0,1]=4 3692 B11R0.81 CC#CCNCC(=O)OCCC 2230a_100000685387_200011215008 [0,1,0,0,0,0|1,0,2]=4 3693 B11R0.81 CC#CCNCC(=O)OCCC 34a_100000685387_200011215008 [0,1,0,0,0,0|1,0,2]=4 3694 B11R0.81 CC#CCOCC(=O)OCCC 34a_100000761923_200011215008 [0,1,0,0,0,0|1,0,2]=4 3695 B11R0.81 CC#CCSCC(=O)OCCC 62a_100000748600_200011215008 [0,1,0,0,0,0|1,0,2]=4 3696 B11R0.81 CC#CCSCC(=O)OCCC 62a_200011215008_100000748600 [0,1,0,0,0,0|1,0,2]=4 3697 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,1,0,0,0,0|1,0,2]=4 3698 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,1,0,0,0,0|1,0,2]=4 3699 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,1,0,0,0,0|1,0,2]=4 3700 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,1,0,0,0,0|0,0,2]=3 3701 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [0,1,0,0,0,0|0,1,2]=4 3702 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,1,0,0,0,0|1,0,1]=3 3703 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,1,0,0,0,0|1,0,1]=3 3704 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,1,0,0,0,0|2,0,1]=4 3705 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,1,0,0,0,0|2,0,1]=4 3706 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,1,0,0,0,0|2,0,1]=4 3707 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [0,1,0,0,0,0|2,0,1]=4 3708 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [0,1,0,0,0,0|2,0,1]=4 3709 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [0,1,0,0,0,0|2,0,1]=4 3710 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,1,0,0,0,0|2,0,1]=4 3711 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,1,0,0,0,0|2,0,1]=4 3712 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [0,1,0,0,0,0|2,0,1]=4 3713 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,1,0,0,0,0|2,0,1]=4 3714 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,1,0,0,0,0|2,0,1]=4 3715 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,1,0,0,0,0|2,0,1]=4 3716 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,1,0,0,0,0|2,0,1]=4 3717 B11R0.81 CC=CCSCC(=O)OCCC 62a_100000070051_200011215008 [0,1,0,0,0,0|1,0,2]=4 3718 B11R0.81 CC=CCSCC(=O)OCCC 62a_200011215008_100000070051 [0,1,0,0,0,0|1,0,2]=4 3719 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,1,0,0,0,0|1,0,1]=3 3720 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [0,1,0,0,0,0|1,0,2]=4 3721 B11R0.81 CCC#CC(=O)CCCCC#N 1458a_100011827653_100000211819 [0,1,0,0,0,0|2,0,1]=4 3722 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [0,1,0,0,0,0|1,0,0]=2 3723 B11R0.81 CCC#CC(=O)CCCCCF 1458a_100011827653_100000729378 [0,1,0,0,0,0|2,0,0]=3 3724 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [0,1,0,0,0,0|2,0,0]=3 3725 B11R0.81 CCC#CC(=O)CCCCOC 1458a_100011827653_100000755781 [0,1,0,0,0,0|2,0,0]=3 3726 B11R0.81 CCC#CC(=O)CCCOCC 1458a_100011827653_100012232248 [0,1,0,0,0,0|2,0,0]=3 3727 B11R0.81 CCC#CC(=O)CCOCCC 1458a_100011827653_100011215938 [0,1,0,0,0,0|2,0,0]=3 3728 B11R0.81 CCC#CC(=O)CCOCCO 1458a_100011827653_100011215305 [0,1,0,0,0,0|3,0,0]=4 3729 B11R0.81 CCC#CC(=O)COCCCC 1458a_100011827653_100011995733 [0,1,0,0,0,0|2,0,0]=3 3730 B11R0.81 CCC#CC(=O)NNCCCC 22a_100025702795_100011827653 [0,1,0,0,0,0|3,0,0]=4 3731 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,1,0,0,0,0|1,0,2]=4 3732 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [0,1,0,0,0,0|1,0,2]=4 3733 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,1,0,0,0,0|1,0,2]=4 3734 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [0,1,0,0,0,0|1,0,2]=4 3735 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [0,1,0,0,0,0|1,0,2]=4 3736 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [0,1,0,0,0,0|1,0,2]=4 3737 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [0,1,0,0,0,0|1,0,2]=4 3738 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [0,1,0,0,0,0|1,0,2]=4 3739 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [0,1,0,0,0,0|1,0,2]=4 3740 B11R0.81 CCC/C=C/CC(=O)NCCF 11a_100000724931_200016266809 [0,1,0,0,0,0|1,0,2]=4 3741 B11R0.81 CCC/C=C/CC(=O)NCCF 1626a_100000724931_200016266809 [0,1,0,0,0,0|1,0,2]=4 3742 B11R0.81 CCC/C=C/CC(=O)NCCF 240690a_100000724931_200016266809 [0,1,0,0,0,0|1,0,2]=4 3743 B11R0.81 CCC/C=C/CC(=O)NCCF 527a_100000724931_200016266809 [0,1,0,0,0,0|1,0,2]=4 3744 B11R0.81 CCC/C=C/CC(=O)NCCO 240690a_100000210304_200016266809 [0,1,0,0,0,0|1,0,2]=4 3745 B11R0.81 CCC/C=C/CC(=O)NCCO 527a_100000210304_200016266809 [0,1,0,0,0,0|1,0,2]=4 3746 B11R0.81 CCC/C=C/CC(=O)NNCC 22a_100000756455_200016266809 [0,1,0,0,0,0|1,0,2]=4 3747 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [0,1,0,0,0,0|1,0,2]=4 3748 B11R0.81 CCC=CC(=O)CCCCC#N 1458a_100000212282_100000211819 [0,1,0,0,0,0|2,0,1]=4 3749 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,1,0,0,0,0|1,0,0]=2 3750 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,1,0,0,0,0|2,0,0]=3 3751 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,1,0,0,0,0|2,0,0]=3 3752 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,1,0,0,0,0|2,0,0]=3 3753 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [0,1,0,0,0,0|2,0,0]=3 3754 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [0,1,0,0,0,0|2,0,0]=3 3755 B11R0.81 CCC=CC(=O)CCOCCO 1458a_100000212282_100011215305 [0,1,0,0,0,0|3,0,0]=4 3756 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,1,0,0,0,0|2,0,0]=3 3757 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,1,0,0,0,0|2,0,0]=3 3758 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,1,0,0,0,0|2,0,0]=3 3759 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,1,0,0,0,0|2,0,0]=3 3760 B11R0.81 CCC=CC(=O)NCCCCO 240690a_100000750430_100000212282 [0,1,0,0,0,0|3,0,0]=4 3761 B11R0.81 CCC=CC(=O)NCCCOC 1626a_100150723488_100000212282 [0,1,0,0,0,0|3,0,0]=4 3762 B11R0.81 CCC=CC(=O)NCCCOC 240690a_100150723488_100000212282 [0,1,0,0,0,0|3,0,0]=4 3763 B11R0.81 CCC=CC(=O)NCCCSC 11a_100000749238_100000212282 [0,1,0,0,0,0|3,0,0]=4 3764 B11R0.81 CCC=CC(=O)NCCCSC 1626a_100000749238_100000212282 [0,1,0,0,0,0|3,0,0]=4 3765 B11R0.81 CCC=CC(=O)NCCCSC 240690a_100000749238_100000212282 [0,1,0,0,0,0|3,0,0]=4 3766 B11R0.81 CCC=CC(=O)NCCOCC 11a_100011200944_100000212282 [0,1,0,0,0,0|3,0,0]=4 3767 B11R0.81 CCC=CC(=O)NCCOCC 1626a_102516460346_100000212282 [0,1,0,0,0,0|3,0,0]=4 3768 B11R0.81 CCC=CC(=O)NCCOCC 240690a_100011200944_100000212282 [0,1,0,0,0,0|3,0,0]=4 3769 B11R0.81 CCC=CC(=O)NCCSCC 11a_100000106463_100000212282 [0,1,0,0,0,0|3,0,0]=4 3770 B11R0.81 CCC=CC(=O)NCCSCC 1626a_100000106463_100000212282 [0,1,0,0,0,0|3,0,0]=4 3771 B11R0.81 CCC=CC(=O)NCCSCC 240690a_100000106463_100000212282 [0,1,0,0,0,0|3,0,0]=4 3772 B11R0.81 CCC=CC(=O)NNCCCC 22a_100025702795_100000212282 [0,1,0,0,0,0|3,0,0]=4 3773 B11R0.81 CCCC=NNC(=O)COCC 4a_100000216846_100000185831 [0,1,0,0,0,0|2,0,1]=4 3774 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,1,0,0,0,0|2,0,1]=4 3775 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,1,0,0,0,0|2,0,0]=3 3776 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,1,0,0,0,0|2,0,0]=3 3777 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,1,0,0,0,0|2,0,0]=3 3778 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,1,0,0,0,0|2,0,0]=3 3779 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,1,0,0,0,0|2,0,0]=3 3780 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,1,0,0,0,0|2,0,0]=3 3781 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,1,0,0,0,0|3,0,0]=4 3782 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,1,0,0,0,0|3,0,0]=4 3783 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [0,1,0,0,0,0|3,0,0]=4 3784 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,1,0,0,0,0|3,0,0]=4 3785 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,1,0,0,0,0|3,0,0]=4 3786 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,1,0,0,0,0|3,0,0]=4 3787 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,1,0,0,0,0|3,0,0]=4 3788 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,1,0,0,0,0|3,0,0]=4 3789 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [0,1,0,0,0,0|3,0,0]=4 3790 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [0,1,0,0,0,0|3,0,0]=4 3791 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [0,1,0,0,0,0|3,0,0]=4 3792 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [0,1,0,0,0,0|3,0,0]=4 3793 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [0,1,0,0,0,0|3,0,0]=4 3794 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [0,1,0,0,0,0|3,0,0]=4 3795 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [0,1,0,0,0,0|3,0,0]=4 3796 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [0,1,0,0,0,0|3,0,0]=4 3797 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [0,1,0,0,0,0|3,0,0]=4 3798 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [0,1,0,0,0,0|3,0,0]=4 3799 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [0,1,0,0,0,0|3,0,0]=4 3800 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [0,1,0,0,0,0|3,0,0]=4 3801 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,1,0,0,0,0|1,0,2]=4 3802 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [0,1,0,0,0,0|1,0,2]=4 3803 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,1,0,0,0,0|1,0,2]=4 3804 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [0,1,0,0,0,0|1,0,2]=4 3805 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [0,1,0,0,0,0|1,0,2]=4 3806 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [0,1,0,0,0,0|1,0,2]=4 3807 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [0,1,0,0,0,0|1,0,2]=4 3808 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [0,1,0,0,0,0|1,0,2]=4 3809 B11R0.81 CCCCC=CC(=O)NCCF 11a_100000724931_100016266645 [0,1,0,0,0,0|1,0,2]=4 3810 B11R0.81 CCCCC=CC(=O)NCCF 1626a_100000724931_100016266645 [0,1,0,0,0,0|1,0,2]=4 3811 B11R0.81 CCCCC=CC(=O)NCCF 240690a_100000724931_100016266645 [0,1,0,0,0,0|1,0,2]=4 3812 B11R0.81 CCCCC=CC(=O)NCCO 240690a_100000210304_100016266645 [0,1,0,0,0,0|1,0,2]=4 3813 B11R0.81 CCCCC=CC(=O)NNCC 22a_100000756455_100016266645 [0,1,0,0,0,0|1,0,2]=4 3814 B11R0.81 CCCCCCC(=NNCC)C 4a_100000756455_100000210826 [0,1,0,0,0,0|2,0,0]=3 3815 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,1,0,0,0,0|1,0,1]=3 3816 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,1,0,0,0,0|1,0,1]=3 3817 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,1,0,0,0,0|1,0,1]=3 3818 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,1,0,0,0,0|1,0,1]=3 3819 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,1,0,0,0,0|1,0,0]=2 3820 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,1,0,0,0,0|1,0,0]=2 3821 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,1,0,0,0,0|1,0,0]=2 3822 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,1,0,0,0,0|1,0,0]=2 3823 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,1,0,0,0,0|1,0,0]=2 3824 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,1,0,0,0,0|1,0,0]=2 3825 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,1,0,0,0,0|1,0,0]=2 3826 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,1,0,0,0,0|1,0,0]=2 3827 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,1,0,0,0,0|0,0,0]=1 3828 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,1,0,0,0,0|0,1,0]=2 3829 B11R0.81 CCCCCCC(=O)NCC#N 1626a_100000734998_100102632555 [0,1,0,0,0,0|1,0,1]=3 3830 B11R0.81 CCCCCCC(=O)NCC#N 527a_100000734998_100102632555 [0,1,0,0,0,0|1,0,1]=3 3831 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3832 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3833 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3834 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3835 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,1,0,0,0,0|1,0,0]=2 3836 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,1,0,0,0,0|1,0,0]=2 3837 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,1,0,0,0,0|1,0,0]=2 3838 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,1,0,0,0,0|1,0,0]=2 3839 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,1,0,0,0,0|1,0,0]=2 3840 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,1,0,0,0,0|1,0,0]=2 3841 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [0,1,0,0,0,0|1,0,0]=2 3842 B11R0.81 CCCCCCC(C)CCOC 34a_200011024964_200000210301 [0,1,0,0,0,0|2,0,1]=4 3843 B11R0.81 CCCCCCC(C)CCOC 7a_200011024964_200000210301 [0,1,0,0,0,0|2,0,1]=4 3844 B11R0.81 CCCCCCC(C)CCO[13CH3] 34a_200011024964_200025704644 [0,1,0,0,0,0|2,0,1]=4 3845 B11R0.81 CCCCCCC(C)CCO[13CH3] 7a_200011024964_200025704644 [0,1,0,0,0,0|2,0,1]=4 3846 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,1,0,0,0,0|2,0,1]=4 3847 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,1,0,0,0,0|2,0,1]=4 3848 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,1,0,0,0,0|2,0,1]=4 3849 B11R0.81 CCCCCCC(C)NCCF 2230a_100000210919_100011217306 [0,1,0,0,0,0|2,0,1]=4 3850 B11R0.81 CCCCCCC(C)NCCF 34a_100000210919_100011217306 [0,1,0,0,0,0|2,0,1]=4 3851 B11R0.81 CCCCCCC(C)NCCF 34a_100000724931_100011215978 [0,1,0,0,0,0|2,0,1]=4 3852 B11R0.81 CCCCCCC(C)NCCO 2230a_100000210919_100000211926 [0,1,0,0,0,0|2,0,1]=4 3853 B11R0.81 CCCCCCC(C)NCCO 2230a_100016997473_100011215978 [0,1,0,0,0,0|2,0,1]=4 3854 B11R0.81 CCCCCCC(C)NCCO 270004a_100000210304_100000210826 [0,1,0,0,0,0|2,0,1]=4 3855 B11R0.81 CCCCCCC(C)NCCO 34a_100000210919_100000211926 [0,1,0,0,0,0|2,0,1]=4 3856 B11R0.81 CCCCCCC(C)NCCO 34a_100016990907_100011215978 [0,1,0,0,0,0|2,0,1]=4 3857 B11R0.81 CCCCCCC(C)NCOC 2230a_100000210919_100000766300 [0,1,0,0,0,0|2,0,1]=4 3858 B11R0.81 CCCCCCC(C)NCSC 2230a_100000210919_100011218213 [0,1,0,0,0,0|2,0,1]=4 3859 B11R0.81 CCCCCCC(C)NCSC 34a_100000210919_100011218213 [0,1,0,0,0,0|2,0,1]=4 3860 B11R0.81 CCCCCCC(C)OCC#N 7a_100000210265_100011215382 [0,1,0,0,0,0|1,0,2]=4 3861 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,1,0,0,0,0|1,0,2]=4 3862 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,1,0,0,0,0|1,0,2]=4 3863 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,1,0,0,0,0|1,0,1]=3 3864 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,1,0,0,0,0|1,0,1]=3 3865 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,1,0,0,0,0|1,0,1]=3 3866 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,1,0,0,0,0|1,0,1]=3 3867 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,1,0,0,0,0|1,0,1]=3 3868 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,1,0,0,0,0|1,0,1]=3 3869 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,1,0,0,0,0|1,0,1]=3 3870 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,1,0,0,0,0|1,0,1]=3 3871 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,1,0,0,0,0|1,0,1]=3 3872 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,1,0,0,0,0|1,0,1]=3 3873 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,1,0,0,0,0|1,1,1]=4 3874 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,1,0,0,0,0|1,1,1]=4 3875 B11R0.81 CCCCCCC(C)SCCF 62a_100011215978_100011217306 [0,1,0,0,0,0|1,1,1]=4 3876 B11R0.81 CCCCCCC(C)SCCF 62a_100011217306_100011215978 [0,1,0,0,0,0|1,1,1]=4 3877 B11R0.81 CCCCCCC(C)SCCO 62a_100000211926_100011215978 [0,1,0,0,0,0|1,1,1]=4 3878 B11R0.81 CCCCCCC(C)SCCO 62a_100011215978_100000211926 [0,1,0,0,0,0|1,1,1]=4 3879 B11R0.81 CCCCCCC(C)SCOC 62a_100000766300_100011215978 [0,1,0,0,0,0|1,1,1]=4 3880 B11R0.81 CCCCCCC(C)SCOC 62a_100011215978_100000766300 [0,1,0,0,0,0|1,1,1]=4 3881 B11R0.81 CCCCCCC(C)SCSC 62a_100011215978_100011218213 [0,1,0,0,0,0|1,1,1]=4 3882 B11R0.81 CCCCCCC(C)SCSC 62a_100011218213_100011215978 [0,1,0,0,0,0|1,1,1]=4 3883 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,1,0,0,0,0|3,0,0]=4 3884 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,1,0,0,0,0|3,0,0]=4 3885 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,1,0,0,0,0|3,0,0]=4 3886 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,1,0,0,0,0|3,0,0]=4 3887 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,1,0,0,0,0|3,0,0]=4 3888 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,1,0,0,0,0|3,0,0]=4 3889 B11R0.81 CCCCCCN(C)CCCF 2230a_106256046315_100011934791 [0,1,0,0,0,0|3,0,0]=4 3890 B11R0.81 CCCCCCN(C)CCCF 269982a_106256046315_100011934791 [0,1,0,0,0,0|3,0,0]=4 3891 B11R0.81 CCCCCCN(C)CCCO 2230a_100000213112_100000210314 [0,1,0,0,0,0|3,0,0]=4 3892 B11R0.81 CCCCCCN(C)CCCO 2230a_106256046315_100000230001 [0,1,0,0,0,0|3,0,0]=4 3893 B11R0.81 CCCCCCN(C)CCCO 269982a_100000213112_100000210757 [0,1,0,0,0,0|3,0,0]=4 3894 B11R0.81 CCCCCCN(C)CCCO 269982a_106256046315_100011215043 [0,1,0,0,0,0|3,0,0]=4 3895 B11R0.81 CCCCCCN(C)CCOC 2230a_100000743101_100000210314 [0,1,0,0,0,0|3,0,0]=4 3896 B11R0.81 CCCCCCN(C)CCOC 2230a_106256046315_100011201679 [0,1,0,0,0,0|3,0,0]=4 3897 B11R0.81 CCCCCCN(C)CCOC 269982a_100000743101_100000210757 [0,1,0,0,0,0|3,0,0]=4 3898 B11R0.81 CCCCCCN(C)CCOC 269982a_106256046315_100000233755 [0,1,0,0,0,0|3,0,0]=4 3899 B11R0.81 CCCCCCN(C)CCSC 2230a_100000686725_100000210314 [0,1,0,0,0,0|3,0,0]=4 3900 B11R0.81 CCCCCCN(C)CCSC 2230a_106256046315_100000751147 [0,1,0,0,0,0|3,0,0]=4 3901 B11R0.81 CCCCCCN(C)CCSC 269982a_100000686725_100000210757 [0,1,0,0,0,0|3,0,0]=4 3902 B11R0.81 CCCCCCN(C)CCSC 269982a_106256046315_100000212216 [0,1,0,0,0,0|3,0,0]=4 3903 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [0,1,0,0,0,0|2,0,0]=3 3904 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,1,0,0,0,0|3,0,0]=4 3905 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,1,0,0,0,0|3,0,0]=4 3906 B11R0.81 CCCCCNC(=O)C=COC 1626a_100000209983_100016268678 [0,1,0,0,0,0|2,0,1]=4 3907 B11R0.81 CCCCCNC(=O)C=COC 240690a_100000209983_100016268678 [0,1,0,0,0,0|2,0,1]=4 3908 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 3909 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 3910 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 3911 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 3912 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,1,0,0,0,0|2,0,0]=3 3913 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,1,0,0,0,0|2,0,0]=3 3914 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,1,0,0,0,0|2,0,0]=3 3915 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,1,0,0,0,0|2,0,0]=3 3916 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,1,0,0,0,0|2,0,0]=3 3917 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,1,0,0,0,0|2,0,0]=3 3918 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,1,0,0,0,0|2,0,0]=3 3919 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,1,0,0,0,0|2,0,0]=3 3920 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,1,0,0,0,0|2,0,0]=3 3921 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,1,0,0,0,0|2,0,0]=3 3922 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,1,0,0,0,0|2,0,0]=3 3923 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,1,0,0,0,0|2,0,0]=3 3924 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,1,0,0,0,0|2,0,0]=3 3925 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,1,0,0,0,0|1,0,0]=2 3926 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,1,0,0,0,0|1,0,0]=2 3927 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,1,0,0,0,0|1,0,0]=2 3928 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,1,0,0,0,0|1,0,0]=2 3929 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,1,0,0,0,0|1,0,0]=2 3930 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,1,0,0,0,0|1,1,0]=3 3931 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,1,0,0,0,0|1,1,0]=3 3932 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,1,0,0,0,0|1,1,0]=3 3933 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,1,0,0,0,0|1,1,0]=3 3934 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,1,0,0,0,0|1,1,0]=3 3935 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,1,0,0,0,0|1,1,0]=3 3936 B11R0.81 CCCCCNC(=O)CSCF 62a_100000230301_100015361967 [0,1,0,0,0,0|2,1,0]=4 3937 B11R0.81 CCCCCNC(=O)CSCF 62a_100015361967_100000230301 [0,1,0,0,0,0|2,1,0]=4 3938 B11R0.81 CCCCCNC(=O)NCC#N 2708a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3939 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000209983_100000734998 [0,1,0,0,0,0|2,0,1]=4 3940 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3941 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000209983_100000734998 [0,1,0,0,0,0|2,0,1]=4 3942 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3943 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,1,0,0,0,0|2,0,0]=3 3944 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,1,0,0,0,0|2,0,0]=3 3945 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,1,0,0,0,0|2,0,0]=3 3946 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,1,0,0,0,0|2,0,0]=3 3947 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,1,0,0,0,0|2,0,0]=3 3948 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,1,0,0,0,0|2,0,0]=3 3949 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3950 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3951 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,1,0,0,0,0|2,0,0]=3 3952 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3953 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3954 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3955 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,1,0,0,0,0|2,0,0]=3 3956 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3957 B11R0.81 CCCCCNC(=O)NNCC 273464a_100000209983_100000756455 [0,1,0,0,0,0|2,0,0]=3 3958 B11R0.81 CCCCCNC(=O)NNCC 512a_100000209983_100000756455 [0,1,0,0,0,0|2,0,0]=3 3959 B11R0.81 CCCCCNC(=O)NNCC 512a_100000756455_100000209983 [0,1,0,0,0,0|2,0,0]=3 3960 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [0,1,0,0,0,0|2,0,1]=4 3961 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [0,1,0,0,0,0|2,0,1]=4 3962 B11R0.81 CCCCNCC(=O)NCC#N 2230a_100000102301_100000736037 [0,1,0,0,0,0|2,0,1]=4 3963 B11R0.81 CCCCNCC(=O)NCC#N 7a_106832991798_100000736037 [0,1,0,0,0,0|2,0,1]=4 3964 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,1,0,0,0,0|2,0,0]=3 3965 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,1,0,0,0,0|2,0,0]=3 3966 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,1,0,0,0,0|2,0,0]=3 3967 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [0,1,0,0,0,0|2,0,0]=3 3968 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,1,0,0,0,0|1,0,0]=2 3969 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,1,0,0,0,0|1,0,0]=2 3970 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [0,1,0,0,0,0|2,0,1]=4 3971 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [0,1,0,0,0,0|2,0,1]=4 3972 B11R0.81 CCCCNCC(O)COCC 2230a_102515437182_100000210211 [0,1,0,0,0,0|1,0,2]=4 3973 B11R0.81 CCCCNCC(O)COCC 34a_102515437182_100000210210 [0,1,0,0,0,0|1,0,2]=4 3974 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [0,1,0,0,0,0|3,0,0]=4 3975 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [0,1,0,0,0,0|3,0,0]=4 3976 B11R0.81 CCCCNNC(=O)CCSC 22a_100025702795_100000174002 [0,1,0,0,0,0|3,0,0]=4 3977 B11R0.81 CCCCNNC(=O)COCC 22a_100025702795_100000211967 [0,1,0,0,0,0|2,0,0]=3 3978 B11R0.81 CCCCNNC(=O)CSCC 22a_100025702795_100000230394 [0,1,0,0,0,0|2,1,0]=4 3979 B11R0.81 CCCCNNC(=O)NCCC 273464a_100020643023_100025702795 [0,1,0,0,0,0|3,0,0]=4 3980 B11R0.81 CCCCNNC(=O)NCCC 512a_100020643023_100025702795 [0,1,0,0,0,0|3,0,0]=4 3981 B11R0.81 CCCCNNC(=O)NCCC 512a_100025702795_100020643023 [0,1,0,0,0,0|3,0,0]=4 3982 B11R0.81 CCCCNNC(=O)NCCF 273464a_100000724931_100025702795 [0,1,0,0,0,0|3,0,0]=4 3983 B11R0.81 CCCCNNC(=O)NCCF 512a_100025702795_100000724931 [0,1,0,0,0,0|3,0,0]=4 3984 B11R0.81 CCCCNNC(=O)NCCO 273464a_100000210304_100025702795 [0,1,0,0,0,0|3,0,0]=4 3985 B11R0.81 CCCCNNC(=O)NCCO 512a_100025702795_100000210304 [0,1,0,0,0,0|3,0,0]=4 3986 B11R0.81 CCCCNNC(=O)NNCC 512a_100000756455_100025702795 [0,1,0,0,0,0|3,0,0]=4 3987 B11R0.81 CCCCNNC(=O)NNCC 512a_100025702795_100000756455 [0,1,0,0,0,0|3,0,0]=4 3988 B11R0.81 CCCCOCC(=O)C#CCO 1458a_100000049017_100011995733 [0,1,0,0,0,0|2,0,1]=4 3989 B11R0.81 CCCCOCC(=O)C=COC 1458a_100016268678_100011995733 [0,1,0,0,0,0|2,0,1]=4 3990 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [0,1,0,0,0,0|2,0,1]=4 3991 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [0,1,0,0,0,0|2,0,1]=4 3992 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,1,0,0,0,0|2,0,0]=3 3993 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,1,0,0,0,0|2,0,0]=3 3994 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,1,0,0,0,0|2,0,0]=3 3995 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,1,0,0,0,0|2,0,0]=3 3996 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,1,0,0,0,0|2,0,0]=3 3997 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,1,0,0,0,0|2,0,0]=3 3998 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,1,0,0,0,0|2,0,0]=3 3999 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,1,0,0,0,0|2,0,0]=3 4000 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,1,0,0,0,0|1,0,0]=2 4001 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [0,1,0,0,0,0|1,1,0]=3 4002 B11R0.81 CCCCOCC(=O)NCC#N 1626a_100000734998_100000757543 [0,1,0,0,0,0|2,0,1]=4 4003 B11R0.81 CCCCOCC(=O)NCC#N 527a_100000734998_100000757543 [0,1,0,0,0,0|2,0,1]=4 4004 B11R0.81 CCCCOCC(=O)NCC#N 7a_100000210227_100000736037 [0,1,0,0,0,0|2,0,1]=4 4005 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,1,0,0,0,0|2,0,0]=3 4006 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,1,0,0,0,0|2,0,0]=3 4007 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,1,0,0,0,0|2,0,0]=3 4008 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,1,0,0,0,0|2,0,0]=3 4009 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,1,0,0,0,0|2,0,0]=3 4010 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,1,0,0,0,0|2,0,0]=3 4011 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,1,0,0,0,0|2,0,0]=3 4012 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,1,0,0,0,0|2,0,0]=3 4013 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,1,0,0,0,0|2,0,0]=3 4014 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,1,0,0,0,0|2,0,0]=3 4015 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,1,0,0,0,0|2,0,0]=3 4016 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,1,0,0,0,0|2,0,0]=3 4017 B11R0.81 CCCCOCC(=O)NNCC 22a_100000756455_100000757543 [0,1,0,0,0,0|2,0,0]=3 4018 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,1,0,0,0,0|1,0,0]=2 4019 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,1,0,0,0,0|1,0,0]=2 4020 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [0,1,0,0,0,0|2,0,1]=4 4021 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [0,1,0,0,0,0|2,0,1]=4 4022 B11R0.81 CCCCOCC(C)OCCF 34a_100011217071_100011217306 [0,1,0,0,0,0|2,0,1]=4 4023 B11R0.81 CCCCOCC(C)OCCF 7a_100011217071_100011217306 [0,1,0,0,0,0|2,0,1]=4 4024 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,1,0,0,0,0|2,0,1]=4 4025 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,1,0,0,0,0|2,0,1]=4 4026 B11R0.81 CCCCOCC(C)OCSC 34a_100011217071_100011218213 [0,1,0,0,0,0|2,0,1]=4 4027 B11R0.81 CCCCOC[C@@H](C)OCOC 34a_100016172286_100000210210 [0,1,0,0,0,0|2,0,1]=4 4028 B11R0.81 CCCCOC[C@@H](C)OCOC 7a_100016172286_100000210211 [0,1,0,0,0,0|2,0,1]=4 4029 B11R0.81 CCCCSCC(=O)CCC#N 1458a_100000191162_100011215226 [0,1,0,0,0,0|2,0,1]=4 4030 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,1,0,0,0,0|2,0,0]=3 4031 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,1,0,0,0,0|2,0,0]=3 4032 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,1,0,0,0,0|2,0,0]=3 4033 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,1,0,0,0,0|2,0,0]=3 4034 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,1,0,0,0,0|2,0,0]=3 4035 B11R0.81 CCCCSCC(=O)NCC#N 1626a_100000734998_100000191162 [0,1,0,0,0,0|2,0,1]=4 4036 B11R0.81 CCCCSCC(=O)NCC#N 527a_100000734998_100000191162 [0,1,0,0,0,0|2,0,1]=4 4037 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000210211_100000736037 [0,1,0,0,0,0|2,0,1]=4 4038 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000736037_100000210210 [0,1,0,0,0,0|2,0,1]=4 4039 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,1,0,0,0,0|2,0,0]=3 4040 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,1,0,0,0,0|2,0,0]=3 4041 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,1,0,0,0,0|2,0,0]=3 4042 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,1,0,0,0,0|2,0,0]=3 4043 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,1,0,0,0,0|2,0,0]=3 4044 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,1,0,0,0,0|2,0,0]=3 4045 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [0,1,0,0,0,0|2,0,0]=3 4046 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [0,1,0,0,0,0|2,0,0]=3 4047 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [0,1,0,0,0,0|2,0,0]=3 4048 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [0,1,0,0,0,0|2,0,0]=3 4049 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,1,0,0,0,0|2,0,0]=3 4050 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,1,0,0,0,0|2,0,0]=3 4051 B11R0.81 CCCCSCC(=O)NNCC 22a_100000756455_100000191162 [0,1,0,0,0,0|2,0,0]=3 4052 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,1,0,0,0,0|1,0,0]=2 4053 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,1,0,0,0,0|1,0,0]=2 4054 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,1,0,0,0,0|2,0,0]=3 4055 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,1,0,0,0,0|2,0,0]=3 4056 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,1,0,0,0,0|2,0,0]=3 4057 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,1,0,0,0,0|2,0,0]=3 4058 B11R0.81 CCCNC(=O)CCCSCF 62a_100011194427_100015361967 [0,1,0,0,0,0|3,0,0]=4 4059 B11R0.81 CCCNC(=O)CCCSCF 62a_100015361967_100011194427 [0,1,0,0,0,0|3,0,0]=4 4060 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,1,0,0,0,0|3,0,0]=4 4061 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,1,0,0,0,0|3,0,0]=4 4062 B11R0.81 CCCNC(=O)CNCCCF 2230a_100000174927_100011934791 [0,1,0,0,0,0|3,0,0]=4 4063 B11R0.81 CCCNC(=O)CNCCCF 2230a_100015189416_100000183358 [0,1,0,0,0,0|3,0,0]=4 4064 B11R0.81 CCCNC(=O)CNCCCF 34a_100015189416_100000183358 [0,1,0,0,0,0|3,0,0]=4 4065 B11R0.81 CCCNC(=O)CNCCCO 2230a_100000174927_100000230001 [0,1,0,0,0,0|3,0,0]=4 4066 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000174927_100011201679 [0,1,0,0,0,0|3,0,0]=4 4067 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000209980_100000183358 [0,1,0,0,0,0|3,0,0]=4 4068 B11R0.81 CCCNC(=O)CNCCSC 2230a_100000174927_100000751147 [0,1,0,0,0,0|3,0,0]=4 4069 B11R0.81 CCCNC(=O)CNCCSC 2230a_100020590264_100000183358 [0,1,0,0,0,0|3,0,0]=4 4070 B11R0.81 CCCNC(=O)COCCCBr 34a_100011217188_100000183358 [0,1,0,0,0,0|3,0,0]=4 4071 B11R0.81 CCCNC(=O)COCCCCl 34a_100000230001_100000183358 [0,1,0,0,0,0|3,0,0]=4 4072 B11R0.81 CCCNC(=O)COCCCF 34a_100000759539_100000183358 [0,1,0,0,0,0|3,0,0]=4 4073 B11R0.81 CCCNC(=O)COCCCN 34a_100000182051_100000183358 [0,1,0,0,0,0|3,0,0]=4 4074 B11R0.81 CCCNC(=O)COCCOC 11a_100020643023_100000211095 [0,1,0,0,0,0|3,0,0]=4 4075 B11R0.81 CCCNC(=O)COCCOC 1626a_100020643023_100000211095 [0,1,0,0,0,0|3,0,0]=4 4076 B11R0.81 CCCNC(=O)COCCOC 240690a_100020643023_100000211095 [0,1,0,0,0,0|3,0,0]=4 4077 B11R0.81 CCCNC(=O)COCCOC 34a_100000210237_100000183358 [0,1,0,0,0,0|3,0,0]=4 4078 B11R0.81 CCCNC(=O)COCCOC 527a_100020643023_100000211095 [0,1,0,0,0,0|3,0,0]=4 4079 B11R0.81 CCCNC(=O)COCCSC 34a_100000230434_100000183358 [0,1,0,0,0,0|3,0,0]=4 4080 B11R0.81 CCCNC(=O)COCCSC 7a_100000230434_100000183358 [0,1,0,0,0,0|3,0,0]=4 4081 B11R0.81 CCCNC(=O)CSCCCF 62a_100000183358_100011934791 [0,1,0,0,0,0|3,0,0]=4 4082 B11R0.81 CCCNC(=O)CSCCCF 62a_100011934791_100000183358 [0,1,0,0,0,0|3,0,0]=4 4083 B11R0.81 CCCNC(=O)CSCCCO 62a_100000183358_100011215043 [0,1,0,0,0,0|3,0,0]=4 4084 B11R0.81 CCCNC(=O)CSCCCO 62a_100011215043_100000183358 [0,1,0,0,0,0|3,0,0]=4 4085 B11R0.81 CCCNC(=O)CSCCOC 62a_100000183358_100000233755 [0,1,0,0,0,0|3,0,0]=4 4086 B11R0.81 CCCNC(=O)CSCCOC 62a_100000233755_100000183358 [0,1,0,0,0,0|3,0,0]=4 4087 B11R0.81 CCCNC(=O)CSCCSC 62a_100000183358_100000751147 [0,1,0,0,0,0|3,0,0]=4 4088 B11R0.81 CCCNC(=O)CSCCSC 62a_100000212216_100000183358 [0,1,0,0,0,0|3,0,0]=4 4089 B11R0.81 CCCNC(=O)CSCOCC 62a_100000183358_100000739092 [0,1,0,0,0,0|3,0,0]=4 4090 B11R0.81 CCCNC(=O)CSCOCC 62a_100000739092_100000183358 [0,1,0,0,0,0|3,0,0]=4 4091 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,1,0,0,0,0|3,0,0]=4 4092 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,1,0,0,0,0|3,0,0]=4 4093 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,1,0,0,0,0|3,0,0]=4 4094 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,1,0,0,0,0|3,0,0]=4 4095 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,1,0,0,0,0|3,0,0]=4 4096 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,1,0,0,0,0|3,0,0]=4 4097 B11R0.81 CCCNC(=O)NCCCOC 2708a_100020643023_100150723488 [0,1,0,0,0,0|3,0,0]=4 4098 B11R0.81 CCCNC(=O)NCCCOC 2708a_100150723488_100020643023 [0,1,0,0,0,0|3,0,0]=4 4099 B11R0.81 CCCNC(=O)NCCCOC 273464a_100020643023_100150723488 [0,1,0,0,0,0|3,0,0]=4 4100 B11R0.81 CCCNC(=O)NCCCOC 273464a_100150723488_100020643023 [0,1,0,0,0,0|3,0,0]=4 4101 B11R0.81 CCCNC(=O)NCCCOC 512a_100020643023_100150723488 [0,1,0,0,0,0|3,0,0]=4 4102 B11R0.81 CCCNC(=O)NCCCSC 2708a_100000749238_100020643023 [0,1,0,0,0,0|3,0,0]=4 4103 B11R0.81 CCCNC(=O)NCCCSC 2708a_100020643023_100000749238 [0,1,0,0,0,0|3,0,0]=4 4104 B11R0.81 CCCNC(=O)NCCCSC 273464a_100000749238_100020643023 [0,1,0,0,0,0|3,0,0]=4 4105 B11R0.81 CCCNC(=O)NCCCSC 273464a_100020643023_100000749238 [0,1,0,0,0,0|3,0,0]=4 4106 B11R0.81 CCCNC(=O)NCCCSC 512a_100000749238_100020643023 [0,1,0,0,0,0|3,0,0]=4 4107 B11R0.81 CCCNC(=O)NCCCSC 512a_100020643023_100000749238 [0,1,0,0,0,0|3,0,0]=4 4108 B11R0.81 CCCNC(=O)NCCOCC 2708a_100011200944_100020643023 [0,1,0,0,0,0|3,0,0]=4 4109 B11R0.81 CCCNC(=O)NCCOCC 2708a_100020643023_100011200944 [0,1,0,0,0,0|3,0,0]=4 4110 B11R0.81 CCCNC(=O)NCCOCC 273464a_100020643023_102516460346 [0,1,0,0,0,0|3,0,0]=4 4111 B11R0.81 CCCNC(=O)NCCOCC 273464a_102516460346_100020643023 [0,1,0,0,0,0|3,0,0]=4 4112 B11R0.81 CCCNC(=O)NCCOCC 512a_100011200944_100020643023 [0,1,0,0,0,0|3,0,0]=4 4113 B11R0.81 CCCNC(=O)NCCOCC 512a_100020643023_100011200944 [0,1,0,0,0,0|3,0,0]=4 4114 B11R0.81 CCCNC(=O)NCCSCC 2708a_100000106463_100020643023 [0,1,0,0,0,0|3,0,0]=4 4115 B11R0.81 CCCNC(=O)NCCSCC 2708a_100020643023_100000106463 [0,1,0,0,0,0|3,0,0]=4 4116 B11R0.81 CCCNC(=O)NCCSCC 273464a_100000106463_100020643023 [0,1,0,0,0,0|3,0,0]=4 4117 B11R0.81 CCCNC(=O)NCCSCC 273464a_100020643023_100000106463 [0,1,0,0,0,0|3,0,0]=4 4118 B11R0.81 CCCNC(=O)NCCSCC 512a_100000106463_100020643023 [0,1,0,0,0,0|3,0,0]=4 4119 B11R0.81 CCCNC(=O)NCCSCC 512a_100020643023_100000106463 [0,1,0,0,0,0|3,0,0]=4 4120 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,1,0,0,0,0|2,0,0]=3 4121 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,1,0,0,0,0|2,0,0]=3 4122 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,1,0,0,0,0|2,0,0]=3 4123 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,1,0,0,0,0|2,0,0]=3 4124 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,1,0,0,0,0|2,0,0]=3 4125 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,1,0,0,0,0|2,0,0]=3 4126 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,1,0,0,0,0|2,0,0]=3 4127 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,1,0,0,0,0|2,0,0]=3 4128 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,1,0,0,0,0|2,0,0]=3 4129 B11R0.81 CCCOC(=O)COCCON 34a_100000700252_200011215008 [0,1,0,0,0,0|3,0,0]=4 4130 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,1,0,0,0,0|2,0,0]=3 4131 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,1,0,0,0,0|2,0,0]=3 4132 B11R0.81 CCCOC(=O)CSCCC#N 62a_100011215226_200011215008 [0,1,0,0,0,0|2,0,1]=4 4133 B11R0.81 CCCOC(=O)CSCCC#N 62a_200011215008_100011215226 [0,1,0,0,0,0|2,0,1]=4 4134 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,1,0,0,0,0|2,0,0]=3 4135 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,1,0,0,0,0|2,0,0]=3 4136 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,1,0,0,0,0|2,0,0]=3 4137 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,1,0,0,0,0|2,0,0]=3 4138 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,1,0,0,0,0|2,0,0]=3 4139 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,1,0,0,0,0|2,0,0]=3 4140 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,1,0,0,0,0|2,0,0]=3 4141 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,1,0,0,0,0|2,0,0]=3 4142 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [0,1,0,0,0,0|2,0,0]=3 4143 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [0,1,0,0,0,0|2,0,0]=3 4144 B11R0.81 CCCOC(=O)OCNCCF 34a_100000724931_200000139673 [0,1,0,0,0,0|3,0,0]=4 4145 B11R0.81 CCCOC(=O)OCNCCO 34a_100016990907_200000139673 [0,1,0,0,0,0|3,0,0]=4 4146 B11R0.81 CCCOC(=O)OCOCCBr 34a_100000211926_200000139673 [0,1,0,0,0,0|3,0,0]=4 4147 B11R0.81 CCCOC(=O)OCOCCN 34a_100000210304_200000139673 [0,1,0,0,0,0|3,0,0]=4 4148 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,1,0,0,0,0|2,0,0]=3 4149 B11R0.81 CCCOC(=O)OCSCCF 62a_100011217306_200000139673 [0,1,0,0,0,0|3,0,0]=4 4150 B11R0.81 CCCOC(=O)OCSCCO 62a_100000211926_200000139673 [0,1,0,0,0,0|3,0,0]=4 4151 B11R0.81 CCCOC(=O)OCSCOC 62a_100000766300_200000139673 [0,1,0,0,0,0|3,0,0]=4 4152 B11R0.81 CCCOC(=O)OCSCSC 62a_100011218213_200000139673 [0,1,0,0,0,0|3,0,0]=4 4153 B11R0.81 CCCOCCC(=O)C#CCO 1458a_100000049017_100011215938 [0,1,0,0,0,0|2,0,1]=4 4154 B11R0.81 CCCOCCC(=O)C=COC 1458a_100016268678_100011215938 [0,1,0,0,0,0|2,0,1]=4 4155 B11R0.81 CCCOCCC(=O)CCC#N 1458a_100011934036_100011215938 [0,1,0,0,0,0|2,0,1]=4 4156 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,1,0,0,0,0|2,0,0]=3 4157 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,1,0,0,0,0|2,0,0]=3 4158 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,1,0,0,0,0|1,0,0]=2 4159 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [0,1,0,0,0,0|1,1,0]=3 4160 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,1,0,0,0,0|2,0,0]=3 4161 B11R0.81 CCNCC(=O)NCCCOC 2230a_100015525214_100000183178 [0,1,0,0,0,0|3,0,0]=4 4162 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [0,1,0,0,0,0|3,0,0]=4 4163 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [0,1,0,0,0,0|2,0,0]=3 4164 B11R0.81 CCNNC(=O)CCOCCO 22a_100000756455_100011229844 [0,1,0,0,0,0|3,0,0]=4 4165 B11R0.81 CCNNC(=O)COCCOC 22a_100000756455_100000211095 [0,1,0,0,0,0|3,0,0]=4 4166 B11R0.81 CCNNC(=O)NCCCCO 273464a_100000750430_100000756455 [0,1,0,0,0,0|3,0,0]=4 4167 B11R0.81 CCNNC(=O)NCCCCO 512a_100000750430_100000756455 [0,1,0,0,0,0|3,0,0]=4 4168 B11R0.81 CCNNC(=O)NCCCCO 512a_100000756455_100000750430 [0,1,0,0,0,0|3,0,0]=4 4169 B11R0.81 CCNNC(=O)NCCCOC 273464a_100150723488_100000756455 [0,1,0,0,0,0|3,0,0]=4 4170 B11R0.81 CCNNC(=O)NCCCOC 512a_100000756455_100150723488 [0,1,0,0,0,0|3,0,0]=4 4171 B11R0.81 CCNNC(=O)NCCCSC 273464a_100000749238_100000756455 [0,1,0,0,0,0|3,0,0]=4 4172 B11R0.81 CCNNC(=O)NCCCSC 512a_100000749238_100000756455 [0,1,0,0,0,0|3,0,0]=4 4173 B11R0.81 CCNNC(=O)NCCCSC 512a_100000756455_100000749238 [0,1,0,0,0,0|3,0,0]=4 4174 B11R0.81 CCNNC(=O)NCCOCC 273464a_102516460346_100000756455 [0,1,0,0,0,0|3,0,0]=4 4175 B11R0.81 CCNNC(=O)NCCOCC 512a_100000756455_100011200944 [0,1,0,0,0,0|3,0,0]=4 4176 B11R0.81 CCNNC(=O)NCCOCC 512a_100011200944_100000756455 [0,1,0,0,0,0|3,0,0]=4 4177 B11R0.81 CCNNC(=O)NCCSCC 273464a_100000106463_100000756455 [0,1,0,0,0,0|3,0,0]=4 4178 B11R0.81 CCNNC(=O)NCCSCC 512a_100000106463_100000756455 [0,1,0,0,0,0|3,0,0]=4 4179 B11R0.81 CCNNC(=O)NCCSCC 512a_100000756455_100000106463 [0,1,0,0,0,0|3,0,0]=4 4180 B11R0.81 CCOCC(=O)CCCCC#N 1458a_100000211967_100000211819 [0,1,0,0,0,0|1,0,1]=3 4181 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,1,0,0,0,0|1,0,0]=2 4182 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,1,0,0,0,0|1,0,0]=2 4183 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,1,0,0,0,0|1,0,0]=2 4184 B11R0.81 CCOCC(=O)CCOCC#N 1458a_100000211967_200000047693 [0,1,0,0,0,0|2,0,1]=4 4185 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,1,0,0,0,0|2,0,0]=3 4186 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,1,0,0,0,0|2,0,0]=3 4187 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,1,0,0,0,0|2,0,0]=3 4188 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [0,1,0,0,0,0|2,0,0]=3 4189 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [0,1,0,0,0,0|2,0,0]=3 4190 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [0,1,0,0,0,0|2,0,0]=3 4191 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [0,1,0,0,0,0|2,0,0]=3 4192 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [0,1,0,0,0,0|2,0,0]=3 4193 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [0,1,0,0,0,0|2,0,0]=3 4194 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [0,1,0,0,0,0|2,0,0]=3 4195 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [0,1,0,0,0,0|2,0,0]=3 4196 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [0,1,0,0,0,0|2,0,0]=3 4197 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [0,1,0,0,0,0|2,0,0]=3 4198 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [0,1,0,0,0,0|2,0,0]=3 4199 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [0,1,0,0,0,0|2,0,0]=3 4200 B11R0.81 CCOCC(=O)NNCCOC 22a_100000741390_100000211967 [0,1,0,0,0,0|3,0,0]=4 4201 B11R0.81 CCOCCCC(=O)C#CCO 1458a_100000049017_100012232248 [0,1,0,0,0,0|2,0,1]=4 4202 B11R0.81 CCOCCCC(=O)C=COC 1458a_100016268678_100012232248 [0,1,0,0,0,0|2,0,1]=4 4203 B11R0.81 CCOCCCC(=O)CCC#N 1458a_100011934036_100012232248 [0,1,0,0,0,0|2,0,1]=4 4204 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,1,0,0,0,0|2,0,0]=3 4205 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,1,0,0,0,0|2,0,0]=3 4206 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,1,0,0,0,0|1,0,0]=2 4207 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [0,1,0,0,0,0|1,1,0]=3 4208 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [0,1,0,0,0,0|3,0,0]=4 4209 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [0,1,0,0,0,0|3,0,0]=4 4210 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [0,1,0,0,0,0|3,0,0]=4 4211 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [0,1,0,0,0,0|3,0,0]=4 4212 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [0,1,0,0,0,0|3,0,0]=4 4213 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [0,1,0,0,0,0|3,0,0]=4 4214 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [0,1,0,0,0,0|3,0,0]=4 4215 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [0,1,0,0,0,0|3,0,0]=4 4216 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [0,1,0,0,0,0|2,0,0]=3 4217 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [0,1,0,0,0,0|2,0,0]=3 4218 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [0,1,0,0,0,0|2,0,0]=3 4219 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [0,1,0,0,0,0|2,0,0]=3 4220 B11R0.81 CCOCCNC(=O)CSCC 11a_100011200944_100000230394 [0,1,0,0,0,0|2,1,0]=4 4221 B11R0.81 CCOCCNC(=O)CSCC 1626a_102516460346_100000230394 [0,1,0,0,0,0|2,1,0]=4 4222 B11R0.81 CCOCCNC(=O)CSCC 240690a_100011200944_100000230394 [0,1,0,0,0,0|2,1,0]=4 4223 B11R0.81 CCOCCNC(=O)CSCC 527a_100011200944_100000230394 [0,1,0,0,0,0|2,1,0]=4 4224 B11R0.81 CCOCCNC(=O)NCCF 2708a_100011200944_100000724931 [0,1,0,0,0,0|3,0,0]=4 4225 B11R0.81 CCOCCNC(=O)NCCF 273464a_100000724931_102516460346 [0,1,0,0,0,0|3,0,0]=4 4226 B11R0.81 CCOCCNC(=O)NCCF 273464a_102516460346_100000724931 [0,1,0,0,0,0|3,0,0]=4 4227 B11R0.81 CCOCCNC(=O)NCCF 512a_100011200944_100000724931 [0,1,0,0,0,0|3,0,0]=4 4228 B11R0.81 CCOCCNC(=O)NCCO 2708a_100011200944_100000210304 [0,1,0,0,0,0|3,0,0]=4 4229 B11R0.81 CCOCCNC(=O)NCCO 273464a_100000210304_102516460346 [0,1,0,0,0,0|3,0,0]=4 4230 B11R0.81 CCOCCNC(=O)NCCO 273464a_102516460346_100000210304 [0,1,0,0,0,0|3,0,0]=4 4231 B11R0.81 CCOCCNC(=O)NCCO 512a_100011200944_100000210304 [0,1,0,0,0,0|3,0,0]=4 4232 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [0,1,0,0,0,0|2,0,0]=3 4233 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [0,1,0,0,0,0|2,1,0]=4 4234 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [0,1,0,0,0,0|2,1,0]=4 4235 B11R0.81 CCOCN(C)CCCCCO 269982a_100000722520_100000739092 [0,1,0,0,0,0|3,0,0]=4 4236 B11R0.81 CCSCC(=O)CCCCC#N 1458a_100000230394_100000211819 [0,1,0,0,0,0|1,1,1]=4 4237 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,1,0,0,0,0|1,1,0]=3 4238 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,1,0,0,0,0|1,1,0]=3 4239 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [0,1,0,0,0,0|1,1,0]=3 4240 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,1,0,0,0,0|2,1,0]=4 4241 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,1,0,0,0,0|2,1,0]=4 4242 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,1,0,0,0,0|2,1,0]=4 4243 B11R0.81 CCSCC(=O)NCCCOC 1626a_100150723488_100000230394 [0,1,0,0,0,0|2,1,0]=4 4244 B11R0.81 CCSCC(=O)NCCCOC 240690a_100150723488_100000230394 [0,1,0,0,0,0|2,1,0]=4 4245 B11R0.81 CCSCC(=O)NCCCOC 527a_100150723488_100000230394 [0,1,0,0,0,0|2,1,0]=4 4246 B11R0.81 CCSCC(=O)NCCCOC 62a_100000183178_100000210202 [0,1,0,0,0,0|2,1,0]=4 4247 B11R0.81 CCSCC(=O)NCCCSC 11a_100000749238_100000230394 [0,1,0,0,0,0|2,1,0]=4 4248 B11R0.81 CCSCC(=O)NCCCSC 1626a_100000749238_100000230394 [0,1,0,0,0,0|2,1,0]=4 4249 B11R0.81 CCSCC(=O)NCCCSC 240690a_100000749238_100000230394 [0,1,0,0,0,0|2,1,0]=4 4250 B11R0.81 CCSCC(=O)NCCCSC 527a_100000749238_100000230394 [0,1,0,0,0,0|2,1,0]=4 4251 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [0,1,0,0,0,0|3,0,0]=4 4252 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [0,1,0,0,0,0|3,0,0]=4 4253 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [0,1,0,0,0,0|3,0,0]=4 4254 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [0,1,0,0,0,0|3,0,0]=4 4255 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [0,1,0,0,0,0|3,0,0]=4 4256 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [0,1,0,0,0,0|3,0,0]=4 4257 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [0,1,0,0,0,0|3,0,0]=4 4258 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [0,1,0,0,0,0|3,0,0]=4 4259 B11R0.81 CCSCCNC(=O)CSCC 11a_100000106463_100000230394 [0,1,0,0,0,0|2,1,0]=4 4260 B11R0.81 CCSCCNC(=O)CSCC 1626a_100000106463_100000230394 [0,1,0,0,0,0|2,1,0]=4 4261 B11R0.81 CCSCCNC(=O)CSCC 240690a_100000106463_100000230394 [0,1,0,0,0,0|2,1,0]=4 4262 B11R0.81 CCSCCNC(=O)CSCC 527a_100000106463_100000230394 [0,1,0,0,0,0|2,1,0]=4 4263 B11R0.81 CCSCCNC(=O)NCCF 2708a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4264 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4265 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000724931_100000106463 [0,1,0,0,0,0|3,0,0]=4 4266 B11R0.81 CCSCCNC(=O)NCCF 512a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4267 B11R0.81 CCSCCNC(=O)NCCO 2708a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4268 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4269 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000210304_100000106463 [0,1,0,0,0,0|3,0,0]=4 4270 B11R0.81 CCSCCNC(=O)NCCO 512a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4271 B11R0.81 COC=CC(=O)CCCCCF 1458a_100016268678_100000729378 [0,1,0,0,0,0|2,0,1]=4 4272 B11R0.81 COC=CC(=O)CCCCCO 1458a_100016268678_100000746330 [0,1,0,0,0,0|2,0,1]=4 4273 B11R0.81 COC=CC(=O)CCCCOC 1458a_100016268678_100000755781 [0,1,0,0,0,0|2,0,1]=4 4274 B11R0.81 COCCC(=O)CCCCC#N 1458a_100000749529_100000211819 [0,1,0,0,0,0|2,0,1]=4 4275 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,1,0,0,0,0|2,0,0]=3 4276 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,1,0,0,0,0|2,0,0]=3 4277 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,1,0,0,0,0|2,0,0]=3 4278 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,1,0,0,0,0|3,0,0]=4 4279 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,1,0,0,0,0|3,0,0]=4 4280 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,1,0,0,0,0|3,0,0]=4 4281 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,1,0,0,0,0|3,0,0]=4 4282 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [0,1,0,0,0,0|3,0,0]=4 4283 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [0,1,0,0,0,0|3,0,0]=4 4284 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [0,1,0,0,0,0|3,0,0]=4 4285 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [0,1,0,0,0,0|3,0,0]=4 4286 B11R0.81 COCCCCC(=O)C#CCO 1458a_100000049017_100000755781 [0,1,0,0,0,0|2,0,1]=4 4287 B11R0.81 COCCCCC(=O)CCC#N 1458a_100011934036_100000755781 [0,1,0,0,0,0|2,0,1]=4 4288 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,1,0,0,0,0|2,0,0]=3 4289 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,1,0,0,0,0|2,0,0]=3 4290 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [0,1,0,0,0,0|3,0,0]=4 4291 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [0,1,0,0,0,0|3,0,0]=4 4292 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [0,1,0,0,0,0|3,0,0]=4 4293 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [0,1,0,0,0,0|3,0,0]=4 4294 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [0,1,0,0,0,0|3,0,0]=4 4295 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [0,1,0,0,0,0|3,0,0]=4 4296 B11R0.81 COCCCNC(=O)NCCF 2708a_100150723488_100000724931 [0,1,0,0,0,0|3,0,0]=4 4297 B11R0.81 COCCCNC(=O)NCCF 273464a_100000724931_100150723488 [0,1,0,0,0,0|3,0,0]=4 4298 B11R0.81 COCCCNC(=O)NCCF 273464a_100150723488_100000724931 [0,1,0,0,0,0|3,0,0]=4 4299 B11R0.81 COCCCNC(=O)NCCO 2708a_100150723488_100000210304 [0,1,0,0,0,0|3,0,0]=4 4300 B11R0.81 COCCCNC(=O)NCCO 273464a_100000210304_100150723488 [0,1,0,0,0,0|3,0,0]=4 4301 B11R0.81 COCCCNC(=O)NCCO 273464a_100150723488_100000210304 [0,1,0,0,0,0|3,0,0]=4 4302 B11R0.81 COCCNCC(=O)NCCF 2230a_100000725713_100011201679 [0,1,0,0,0,0|3,0,0]=4 4303 B11R0.81 COCCOCC(=O)CCCF 1458a_100000211095_100011934791 [0,1,0,0,0,0|3,0,0]=4 4304 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,1,0,0,0,0|3,0,0]=4 4305 B11R0.81 COCCOCC(=O)CCOC 1458a_100000211095_100000233755 [0,1,0,0,0,0|3,0,0]=4 4306 B11R0.81 COCCOCC(=O)CCSC 1458a_100000211095_100000751147 [0,1,0,0,0,0|3,0,0]=4 4307 B11R0.81 COCCOCC(=O)NCCF 11a_100000724931_100000211095 [0,1,0,0,0,0|3,0,0]=4 4308 B11R0.81 COCCOCC(=O)NCCF 1626a_100000724931_100000211095 [0,1,0,0,0,0|3,0,0]=4 4309 B11R0.81 COCCOCC(=O)NCCF 240690a_100000724931_100000211095 [0,1,0,0,0,0|3,0,0]=4 4310 B11R0.81 COCCOCC(=O)NCCF 527a_100000724931_100000211095 [0,1,0,0,0,0|3,0,0]=4 4311 B11R0.81 COCCOCC(=O)NCCO 240690a_100000210304_100000211095 [0,1,0,0,0,0|3,0,0]=4 4312 B11R0.81 COCCOCC(=O)NCCO 527a_100000210304_100000211095 [0,1,0,0,0,0|3,0,0]=4 4313 B11R0.81 CSCCC(=O)CCCCC#N 1458a_100000174002_100000211819 [0,1,0,0,0,0|2,0,1]=4 4314 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,1,0,0,0,0|2,0,0]=3 4315 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,1,0,0,0,0|2,0,0]=3 4316 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,1,0,0,0,0|2,0,0]=3 4317 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,1,0,0,0,0|3,0,0]=4 4318 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,1,0,0,0,0|3,0,0]=4 4319 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,1,0,0,0,0|3,0,0]=4 4320 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,1,0,0,0,0|3,0,0]=4 4321 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [0,1,0,0,0,0|3,0,0]=4 4322 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [0,1,0,0,0,0|3,0,0]=4 4323 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [0,1,0,0,0,0|3,0,0]=4 4324 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [0,1,0,0,0,0|3,0,0]=4 4325 B11R0.81 CSCCCNC(=O)NCCF 2708a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4326 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000724931_100000749238 [0,1,0,0,0,0|3,0,0]=4 4327 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4328 B11R0.81 CSCCCNC(=O)NCCF 512a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4329 B11R0.81 CSCCCNC(=O)NCCO 2708a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4330 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000210304_100000749238 [0,1,0,0,0,0|3,0,0]=4 4331 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4332 B11R0.81 CSCCCNC(=O)NCCO 512a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4333 B11R0.81 CSCCNCC(=O)NCCF 2230a_100000725713_100000751147 [0,1,0,0,0,0|3,0,0]=4 4334 B11R0.81 N#CCCC(=O)CCCCCF 1458a_100011934036_100000729378 [0,1,0,0,0,0|2,0,1]=4 4335 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,1,0,0,0,0|2,0,1]=4 4336 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,1,0,0,0,0|2,0,1]=4 4337 B11R0.81 O=C(C#CCO)CCCCCF 1458a_100000049017_100000729378 [0,1,0,0,0,0|2,0,1]=4 4338 B11R0.81 O=C(C#CCO)CCCCCO 1458a_100000049017_100000746330 [0,1,0,0,0,0|2,0,1]=4 4339 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,1,0,0,0,0|2,0,0]=3 4340 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,1,0,0,0,0|2,0,0]=3 4341 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,1,0,0,0,0|2,0,0]=3 4342 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,1,0,0,0,0|3,0,0]=4 4343 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,1,0,0,0,0|2,0,0]=3 4344 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,1,0,0,0,0|3,0,0]=4 4345 B11R0.81 O=C(CCOCCO)NCCF 1626a_100000724931_100011229844 [0,1,0,0,0,0|3,0,0]=4 4346 B11R0.81 O=C(CCOCCO)NCCF 240690a_100000724931_100011229844 [0,1,0,0,0,0|3,0,0]=4 4347 B11R0.81 O=C(CCOCCO)NCCO 240690a_100000210304_100011229844 [0,1,0,0,0,0|3,0,0]=4 4348 B11R0.81 O=C(CNCCCF)NCCF 2230a_100000725713_100011934791 [0,1,0,0,0,0|3,0,0]=4 4349 B11R0.81 O=C(CNCCCO)NCCF 2230a_100000725713_100000230001 [0,1,0,0,0,0|3,0,0]=4 4350 B11R0.81 O=C(NCCF)NCCCCO 2708a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4351 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000724931_100000750430 [0,1,0,0,0,0|3,0,0]=4 4352 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4353 B11R0.81 O=C(NCCF)NCCCCO 512a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4354 B11R0.81 O=C(NCCO)NCCCCO 2708a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4355 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000210304_100000750430 [0,1,0,0,0,0|3,0,0]=4 4356 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4357 B11R0.81 O=C(NCCO)NCCCCO 512a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4358 B11R0.142 C#CC(C)C(=O)CCCCCC 1458a_100102632555_200000035995 [0,1,0,0,0,0|1,0,2]=4 4359 B11R0.142 C#CCCCCC(=O)C(C)CC 1458a_100000696528_100000758301 [0,1,0,0,0,0|1,0,2]=4 4360 B11R0.142 C#CCCCCC(=O)C(C)CC 1458a_100011192722_100010269958 [0,1,0,0,0,0|1,0,2]=4 4361 B11R0.142 C#CCCCCC(=O)C(O)CC 1458a_100011196387_100010269958 [0,1,0,0,0,0|1,0,2]=4 4362 B11R0.142 C#CCCCCC(=O)N(C)CC 11a_100000225621_100000696528 [0,1,0,0,0,0|1,0,2]=4 4363 B11R0.142 C#CCCCCC(=O)N(C)CC 1626a_100000225621_100000696528 [0,1,0,0,0,0|1,0,2]=4 4364 B11R0.142 C#CCCCCC(=O)N(C)CC 240690a_100000225621_100000696528 [0,1,0,0,0,0|1,0,2]=4 4365 B11R0.142 C#CCCCCC(=O)N(C)CC 527a_100000225621_100000696528 [0,1,0,0,0,0|1,0,2]=4 4366 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [0,1,0,0,0,0|1,0,1]=3 4367 B11R0.142 C/C=C(\C)/C(=O)CCCCCF 1458a_100020587367_100000729378 [0,1,0,0,0,0|2,0,1]=4 4368 B11R0.142 C/C=C(\C)/C(=O)CCCCCO 1458a_100020587367_100000746330 [0,1,0,0,0,0|2,0,1]=4 4369 B11R0.142 C/C=C(\C)/C(=O)CCCCOC 1458a_100020587367_100000755781 [0,1,0,0,0,0|2,0,1]=4 4370 B11R0.142 C/C=C(\C)/C(=O)CCCOCC 1458a_100020587367_100012232248 [0,1,0,0,0,0|2,0,1]=4 4371 B11R0.142 C/C=C(\C)/C(=O)CCOCCC 1458a_100020587367_100011215938 [0,1,0,0,0,0|2,0,1]=4 4372 B11R0.142 C/C=C(\C)/C(=O)COCCCC 1458a_100020587367_100011995733 [0,1,0,0,0,0|2,0,1]=4 4373 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100020587367 [0,1,0,0,0,0|2,0,1]=4 4374 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100020587367 [0,1,0,0,0,0|2,0,1]=4 4375 B11R0.142 C=CC(C)C(=O)CCCCCC 1458a_100011216780_100000210757 [0,1,0,0,0,0|1,0,2]=4 4376 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011192722_100011215482 [0,1,0,0,0,0|1,0,2]=4 4377 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011215552_100000758301 [0,1,0,0,0,0|1,0,2]=4 4378 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,1,0,0,0,0|1,0,2]=4 4379 B11R0.142 C=CCCCCC(=O)N(C)CC 11a_100000225621_100011215552 [0,1,0,0,0,0|1,0,2]=4 4380 B11R0.142 C=CCCCCC(=O)N(C)CC 1626a_100000225621_100011215552 [0,1,0,0,0,0|1,0,2]=4 4381 B11R0.142 C=CCCCCC(=O)N(C)CC 240690a_100000225621_100011215552 [0,1,0,0,0,0|1,0,2]=4 4382 B11R0.142 C=CCCCCC(=O)N(C)CC 527a_100000225621_100011215552 [0,1,0,0,0,0|1,0,2]=4 4383 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [0,1,0,0,0,0|1,0,2]=4 4384 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,1,0,0,0,0|1,0,2]=4 4385 B11R0.142 CCC(C)C(=O)CCCCC#N 1458a_100011192722_100000211819 [0,1,0,0,0,0|2,0,1]=4 4386 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,1,0,0,0,0|2,0,0]=3 4387 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,1,0,0,0,0|2,0,0]=3 4388 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,1,0,0,0,0|2,0,0]=3 4389 B11R0.142 CCC(C)C(=O)CCCCOC 1458a_100011192722_100000755781 [0,1,0,0,0,0|2,0,0]=3 4390 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011192722_100011215305 [0,1,0,0,0,0|3,0,0]=4 4391 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011229844_100000758301 [0,1,0,0,0,0|3,0,0]=4 4392 B11R0.142 CCC(C)C(=O)COCCOC 1458a_100000211095_100000758301 [0,1,0,0,0,0|3,0,0]=4 4393 B11R0.142 CCC(C)C(=O)NCCCCO 240690a_100000750430_100011192722 [0,1,0,0,0,0|3,0,0]=4 4394 B11R0.142 CCC(C)C(=O)NCCCCO 527a_100000750430_100011192722 [0,1,0,0,0,0|3,0,0]=4 4395 B11R0.142 CCC(C)C(=O)NCCCOC 1626a_100150723488_100011192722 [0,1,0,0,0,0|3,0,0]=4 4396 B11R0.142 CCC(C)C(=O)NCCCOC 240690a_100150723488_100011192722 [0,1,0,0,0,0|3,0,0]=4 4397 B11R0.142 CCC(C)C(=O)NCCCOC 527a_100150723488_100011192722 [0,1,0,0,0,0|3,0,0]=4 4398 B11R0.142 CCC(C)C(=O)NCCCSC 11a_100000749238_100011192722 [0,1,0,0,0,0|3,0,0]=4 4399 B11R0.142 CCC(C)C(=O)NCCCSC 1626a_100000749238_100011192722 [0,1,0,0,0,0|3,0,0]=4 4400 B11R0.142 CCC(C)C(=O)NCCCSC 240690a_100000749238_100011192722 [0,1,0,0,0,0|3,0,0]=4 4401 B11R0.142 CCC(C)C(=O)NCCCSC 527a_100000749238_100011192722 [0,1,0,0,0,0|3,0,0]=4 4402 B11R0.142 CCC(O)C(=O)CCCCC#N 1458a_100011196387_100000211819 [0,1,0,0,0,0|2,0,1]=4 4403 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,1,0,0,0,0|2,0,0]=3 4404 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,1,0,0,0,0|2,0,0]=3 4405 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,1,0,0,0,0|2,0,0]=3 4406 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,1,0,0,0,0|3,0,0]=4 4407 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,1,0,0,0,0|3,0,0]=4 4408 B11R0.142 CCC(O)C(=O)NCCCOC 240690a_100150723488_100011196387 [0,1,0,0,0,0|3,0,0]=4 4409 B11R0.142 CCC(O)C(=O)NCCCSC 240690a_100000749238_100011196387 [0,1,0,0,0,0|3,0,0]=4 4410 B11R0.142 CCC/C=C/CC(=O)C(C)CC 1458a_200016266809_100000758301 [0,1,0,0,0,0|1,0,2]=4 4411 B11R0.142 CCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016266809 [0,1,0,0,0,0|1,0,2]=4 4412 B11R0.142 CCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016266809 [0,1,0,0,0,0|1,0,2]=4 4413 B11R0.142 CCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016266809 [0,1,0,0,0,0|1,0,2]=4 4414 B11R0.142 CCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016266809 [0,1,0,0,0,0|1,0,2]=4 4415 B11R0.142 CCCCC=CC(=O)C(C)CC 1458a_100016266645_100000758301 [0,1,0,0,0,0|1,0,2]=4 4416 B11R0.142 CCCCC=CC(=O)N(C)CC 11a_100000225621_100016266645 [0,1,0,0,0,0|1,0,2]=4 4417 B11R0.142 CCCCC=CC(=O)N(C)CC 1626a_100000225621_100016266645 [0,1,0,0,0,0|1,0,2]=4 4418 B11R0.142 CCCCC=CC(=O)N(C)CC 240690a_100000225621_100016266645 [0,1,0,0,0,0|1,0,2]=4 4419 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,1,0,0,0,0|2,0,0]=3 4420 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210757 [0,1,0,0,0,0|2,0,1]=4 4421 B11R0.142 CCCCCCC(=O)C(C)C#N 1458a_100102632555_100000703298 [0,1,0,0,0,0|2,0,1]=4 4422 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,1,0,0,0,0|1,0,0]=2 4423 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,1,0,0,0,0|1,0,0]=2 4424 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,1,0,0,0,0|2,0,0]=3 4425 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [0,1,0,0,0,0|2,0,0]=3 4426 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,1,0,0,0,0|1,0,0]=2 4427 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,1,0,0,0,0|2,0,0]=3 4428 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [0,1,0,0,0,0|1,0,0]=2 4429 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [0,1,0,0,0,0|1,0,0]=2 4430 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [0,1,0,0,0,0|1,0,0]=2 4431 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [0,1,0,0,0,0|1,0,0]=2 4432 B11R0.142 CCCCCCC(C)C(=O)CC 1458a_100000210414_100011215978 [0,1,0,0,0,0|2,0,1]=4 4433 B11R0.142 CCCCCCC(C)N(C)CC 2230a_100000225621_100011215978 [0,1,0,0,0,0|2,0,1]=4 4434 B11R0.142 CCCCCCC(C)N(C)CC 269982a_100000225621_100011215978 [0,1,0,0,0,0|2,0,1]=4 4435 B11R0.142 CCCCCCC(O)C(=O)CC 1458a_100011215828_100000210202 [0,1,0,0,0,0|1,0,2]=4 4436 B11R0.142 CCCCCCN(C)C(=O)CC 11a_106256046315_100000210414 [0,1,0,0,0,0|3,0,0]=4 4437 B11R0.142 CCCCCCN(C)C(=O)CC 1626a_106256046315_100000210414 [0,1,0,0,0,0|3,0,0]=4 4438 B11R0.142 CCCCCCN(C)C(=O)CC 240690a_106256046315_100000210414 [0,1,0,0,0,0|3,0,0]=4 4439 B11R0.142 CCCCCCN(C)C(=O)CC 527a_106256046315_100000210414 [0,1,0,0,0,0|3,0,0]=4 4440 B11R0.142 CCCCCCN(C)C(C)CC 2230a_100000741768_100000210314 [0,1,0,0,0,0|3,0,0]=4 4441 B11R0.142 CCCCCCN(C)C(C)CC 2230a_106256046315_100000758301 [0,1,0,0,0,0|3,0,0]=4 4442 B11R0.142 CCCCCCN(C)C(C)CC 269982a_100000741768_100000210757 [0,1,0,0,0,0|3,0,0]=4 4443 B11R0.142 CCCCCCN(C)C(C)CC 269982a_106256046315_100000758301 [0,1,0,0,0,0|3,0,0]=4 4444 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,1,0,0,0,0|3,0,0]=4 4445 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,1,0,0,0,0|3,0,0]=4 4446 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,1,0,0,0,0|3,0,0]=4 4447 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,1,0,0,0,0|3,0,0]=4 4448 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,1,0,0,0,0|3,0,0]=4 4449 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,1,0,0,0,0|3,0,0]=4 4450 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,1,0,0,0,0|3,0,0]=4 4451 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,1,0,0,0,0|2,0,0]=3 4452 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,1,0,0,0,0|2,0,0]=3 4453 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,1,0,0,0,0|2,0,0]=3 4454 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,1,0,0,0,0|2,0,0]=3 4455 B11R0.142 CCCCCNC(=O)C(C)NC 2230a_106832991635_100000735910 [0,1,0,0,0,0|3,0,0]=4 4456 B11R0.142 CCCCCNC(=O)C(C)NC 7a_106832991635_100000735910 [0,1,0,0,0,0|3,0,0]=4 4457 B11R0.142 CCCCCNC(=O)C(C)OC 11a_100000209983_100000743197 [0,1,0,0,0,0|3,0,0]=4 4458 B11R0.142 CCCCCNC(=O)C(C)OC 1626a_100000209983_100000743197 [0,1,0,0,0,0|3,0,0]=4 4459 B11R0.142 CCCCCNC(=O)C(C)OC 240690a_100000209983_100000743197 [0,1,0,0,0,0|3,0,0]=4 4460 B11R0.142 CCCCCNC(=O)C(C)OC 527a_100000209983_100000743197 [0,1,0,0,0,0|3,0,0]=4 4461 B11R0.142 CCCCCNC(=O)C(C)SC 11a_100000209983_100000149566 [0,1,0,0,0,0|3,0,0]=4 4462 B11R0.142 CCCCCNC(=O)C(C)SC 1626a_100000209983_100000149566 [0,1,0,0,0,0|3,0,0]=4 4463 B11R0.142 CCCCCNC(=O)C(C)SC 240690a_100000209983_100000149566 [0,1,0,0,0,0|3,0,0]=4 4464 B11R0.142 CCCCCNC(=O)C(C)SC 527a_100000209983_100000149566 [0,1,0,0,0,0|3,0,0]=4 4465 B11R0.142 CCCCCNC(=O)C(C)SC 62a_100000735910_200000210301 [0,1,0,0,0,0|3,0,0]=4 4466 B11R0.142 CCCCCNC(=O)C(C)SC 62a_200000210301_100000735910 [0,1,0,0,0,0|3,0,0]=4 4467 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_100000735910_200025704644 [0,1,0,0,0,0|3,0,0]=4 4468 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735910 [0,1,0,0,0,0|3,0,0]=4 4469 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,1,0,0,0,0|2,0,0]=3 4470 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,1,0,0,0,0|3,0,0]=4 4471 B11R0.142 CCCCCNC(=O)N(C)CC 2708a_100000209983_100000225621 [0,1,0,0,0,0|2,0,0]=3 4472 B11R0.142 CCCCCNC(=O)N(C)CC 273464a_100000209983_100000225621 [0,1,0,0,0,0|2,0,0]=3 4473 B11R0.142 CCCCNCC(=O)N(C)CC 2230a_100000102301_100000738999 [0,1,0,0,0,0|2,0,0]=3 4474 B11R0.142 CCCCNCC(=O)N(C)CC 7a_106832991798_100000738999 [0,1,0,0,0,0|2,0,0]=3 4475 B11R0.142 CCCCNCC(=O)N(C)OC 2230a_100000102301_100000764215 [0,1,0,0,0,0|3,0,0]=4 4476 B11R0.142 CCCCNCC(=O)N(C)OC 2230a_100015207273_100000210211 [0,1,0,0,0,0|3,0,0]=4 4477 B11R0.142 CCCCNCC(=O)N(C)OC 7a_106832991798_100000764215 [0,1,0,0,0,0|3,0,0]=4 4478 B11R0.142 CCCCNNC(=O)C(C)CC 22a_100025702795_100011192722 [0,1,0,0,0,0|3,0,0]=4 4479 B11R0.142 CCCCNNC(=O)C(O)CC 22a_100025702795_100011196387 [0,1,0,0,0,0|3,0,0]=4 4480 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [0,1,0,0,0,0|3,0,0]=4 4481 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,1,0,0,0,0|3,0,0]=4 4482 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [0,1,0,0,0,0|2,0,0]=3 4483 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [0,1,0,0,0,0|2,0,0]=3 4484 B11R0.142 CCCCOCC(=O)C(C)OC 1458a_100000743197_100011995733 [0,1,0,0,0,0|3,0,0]=4 4485 B11R0.142 CCCCOCC(=O)C(C)SC 1458a_100000149566_100011995733 [0,1,0,0,0,0|3,0,0]=4 4486 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,1,0,0,0,0|2,0,0]=3 4487 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,1,0,0,0,0|3,0,0]=4 4488 B11R0.142 CCCCOCC(=O)N(C)CC 11a_100000225621_100000757543 [0,1,0,0,0,0|2,0,0]=3 4489 B11R0.142 CCCCOCC(=O)N(C)CC 1626a_100000225621_100000757543 [0,1,0,0,0,0|2,0,0]=3 4490 B11R0.142 CCCCOCC(=O)N(C)CC 240690a_100000225621_100000757543 [0,1,0,0,0,0|2,0,0]=3 4491 B11R0.142 CCCCOCC(=O)N(C)CC 34a_100000210227_100000738999 [0,1,0,0,0,0|2,0,0]=3 4492 B11R0.142 CCCCOCC(=O)N(C)CC 527a_100000225621_100000757543 [0,1,0,0,0,0|2,0,0]=3 4493 B11R0.142 CCCCOCC(=O)N(C)CC 7a_100000210227_100000738999 [0,1,0,0,0,0|2,0,0]=3 4494 B11R0.142 CCCCOCC(=O)N(C)OC 7a_100000210227_100000764215 [0,1,0,0,0,0|3,0,0]=4 4495 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,1,0,0,0,0|3,0,0]=4 4496 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,1,0,0,0,0|3,0,0]=4 4497 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [0,1,0,0,0,0|2,0,0]=3 4498 B11R0.142 CCCCSCC(=O)N(C)CC 11a_100000225621_100000191162 [0,1,0,0,0,0|2,0,0]=3 4499 B11R0.142 CCCCSCC(=O)N(C)CC 1626a_100000225621_100000191162 [0,1,0,0,0,0|2,0,0]=3 4500 B11R0.142 CCCCSCC(=O)N(C)CC 240690a_100000225621_100000191162 [0,1,0,0,0,0|2,0,0]=3 4501 B11R0.142 CCCCSCC(=O)N(C)CC 527a_100000225621_100000191162 [0,1,0,0,0,0|2,0,0]=3 4502 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000210211_100000738999 [0,1,0,0,0,0|2,0,0]=3 4503 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000738999_100000210210 [0,1,0,0,0,0|2,0,0]=3 4504 B11R0.142 CCCCSCC(=O)N(C)OC 62a_100000210211_100000764215 [0,1,0,0,0,0|3,0,0]=4 4505 B11R0.142 CCCCSCC(=O)N(C)OC 62a_100000764215_100000210210 [0,1,0,0,0,0|3,0,0]=4 4506 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [0,1,0,0,0,0|3,0,0]=4 4507 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [0,1,0,0,0,0|2,0,0]=3 4508 B11R0.142 CCCOCCC(=O)C(C)OC 1458a_100000743197_100011215938 [0,1,0,0,0,0|3,0,0]=4 4509 B11R0.142 CCCOCCC(=O)C(C)SC 1458a_100000149566_100011215938 [0,1,0,0,0,0|3,0,0]=4 4510 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,1,0,0,0,0|2,0,0]=3 4511 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,1,0,0,0,0|3,0,0]=4 4512 B11R0.142 CCN(C)C(=O)CCCCCO 240690a_100000225621_100102619762 [0,1,0,0,0,0|2,0,0]=3 4513 B11R0.142 CCN(C)C(=O)CCOCCO 1626a_100000225621_100011229844 [0,1,0,0,0,0|3,0,0]=4 4514 B11R0.142 CCN(C)C(=O)CCOCCO 240690a_100000225621_100011229844 [0,1,0,0,0,0|3,0,0]=4 4515 B11R0.142 CCN(C)C(=O)CNCCCF 2230a_100015189416_100000738999 [0,1,0,0,0,0|3,0,0]=4 4516 B11R0.142 CCN(C)C(=O)CNCCCF 34a_100015189416_100000738999 [0,1,0,0,0,0|3,0,0]=4 4517 B11R0.142 CCN(C)C(=O)CNCCOC 2230a_100000209980_100000738999 [0,1,0,0,0,0|3,0,0]=4 4518 B11R0.142 CCN(C)C(=O)CNCCSC 2230a_100020590264_100000738999 [0,1,0,0,0,0|3,0,0]=4 4519 B11R0.142 CCN(C)C(=O)COCCCBr 34a_100011217188_100000738999 [0,1,0,0,0,0|3,0,0]=4 4520 B11R0.142 CCN(C)C(=O)COCCCCl 34a_100000230001_100000738999 [0,1,0,0,0,0|3,0,0]=4 4521 B11R0.142 CCN(C)C(=O)COCCCF 34a_100000759539_100000738999 [0,1,0,0,0,0|3,0,0]=4 4522 B11R0.142 CCN(C)C(=O)COCCCN 34a_100000182051_100000738999 [0,1,0,0,0,0|3,0,0]=4 4523 B11R0.142 CCN(C)C(=O)COCCOC 11a_100000225621_100000211095 [0,1,0,0,0,0|3,0,0]=4 4524 B11R0.142 CCN(C)C(=O)COCCOC 1626a_100000225621_100000211095 [0,1,0,0,0,0|3,0,0]=4 4525 B11R0.142 CCN(C)C(=O)COCCOC 240690a_100000225621_100000211095 [0,1,0,0,0,0|3,0,0]=4 4526 B11R0.142 CCN(C)C(=O)COCCOC 34a_100000210237_100000738999 [0,1,0,0,0,0|3,0,0]=4 4527 B11R0.142 CCN(C)C(=O)COCCOC 527a_100000225621_100000211095 [0,1,0,0,0,0|3,0,0]=4 4528 B11R0.142 CCN(C)C(=O)COCCSC 34a_100000230434_100000738999 [0,1,0,0,0,0|3,0,0]=4 4529 B11R0.142 CCN(C)C(=O)COCCSC 7a_100000230434_100000738999 [0,1,0,0,0,0|3,0,0]=4 4530 B11R0.142 CCN(C)C(=O)CSCCCF 62a_100000738999_100011934791 [0,1,0,0,0,0|3,0,0]=4 4531 B11R0.142 CCN(C)C(=O)CSCCCF 62a_100011934791_100000738999 [0,1,0,0,0,0|3,0,0]=4 4532 B11R0.142 CCN(C)C(=O)CSCCCO 62a_100000738999_100011215043 [0,1,0,0,0,0|3,0,0]=4 4533 B11R0.142 CCN(C)C(=O)CSCCCO 62a_100011215043_100000738999 [0,1,0,0,0,0|3,0,0]=4 4534 B11R0.142 CCN(C)C(=O)CSCCOC 62a_100000233755_100000738999 [0,1,0,0,0,0|3,0,0]=4 4535 B11R0.142 CCN(C)C(=O)CSCCOC 62a_100000738999_100000233755 [0,1,0,0,0,0|3,0,0]=4 4536 B11R0.142 CCN(C)C(=O)CSCCSC 62a_100000212216_100000738999 [0,1,0,0,0,0|3,0,0]=4 4537 B11R0.142 CCN(C)C(=O)CSCCSC 62a_100000738999_100000751147 [0,1,0,0,0,0|3,0,0]=4 4538 B11R0.142 CCN(C)C(=O)NCCCCO 2708a_100000750430_100000225621 [0,1,0,0,0,0|3,0,0]=4 4539 B11R0.142 CCN(C)C(=O)NCCCCO 273464a_100000750430_100000225621 [0,1,0,0,0,0|3,0,0]=4 4540 B11R0.142 CCN(C)C(=O)NCCCOC 2708a_100150723488_100000225621 [0,1,0,0,0,0|3,0,0]=4 4541 B11R0.142 CCN(C)C(=O)NCCCOC 273464a_100150723488_100000225621 [0,1,0,0,0,0|3,0,0]=4 4542 B11R0.142 CCN(C)C(=O)NCCCSC 2708a_100000749238_100000225621 [0,1,0,0,0,0|3,0,0]=4 4543 B11R0.142 CCN(C)C(=O)NCCCSC 273464a_100000749238_100000225621 [0,1,0,0,0,0|3,0,0]=4 4544 B11R0.142 CCOCCCC(=O)C(=O)NC 1458a_100011218921_100012232248 [0,1,0,0,0,0|3,0,0]=4 4545 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [0,1,0,0,0,0|2,0,0]=3 4546 B11R0.142 CCOCCCC(=O)C(C)OC 1458a_100000743197_100012232248 [0,1,0,0,0,0|3,0,0]=4 4547 B11R0.142 CCOCCCC(=O)C(C)SC 1458a_100000149566_100012232248 [0,1,0,0,0,0|3,0,0]=4 4548 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,1,0,0,0,0|2,0,0]=3 4549 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,1,0,0,0,0|3,0,0]=4 4550 B11R0.142 CCOCCNC(=O)C(C)CC 11a_100011200944_100011192722 [0,1,0,0,0,0|3,0,0]=4 4551 B11R0.142 CCOCCNC(=O)C(C)CC 1626a_102516460346_100011192722 [0,1,0,0,0,0|3,0,0]=4 4552 B11R0.142 CCOCCNC(=O)C(C)CC 240690a_100011200944_100011192722 [0,1,0,0,0,0|3,0,0]=4 4553 B11R0.142 CCOCCNC(=O)C(C)CC 527a_100011200944_100011192722 [0,1,0,0,0,0|3,0,0]=4 4554 B11R0.142 CCOCCNC(=O)C(O)CC 240690a_100011200944_100011196387 [0,1,0,0,0,0|3,0,0]=4 4555 B11R0.142 CCOCCNC(=O)N(C)CC 2708a_100011200944_100000225621 [0,1,0,0,0,0|3,0,0]=4 4556 B11R0.142 CCOCCNC(=O)N(C)CC 273464a_102516460346_100000225621 [0,1,0,0,0,0|3,0,0]=4 4557 B11R0.142 CCOCSCC(=O)N(C)CC 62a_100000738999_100000739092 [0,1,0,0,0,0|3,0,0]=4 4558 B11R0.142 CCOCSCC(=O)N(C)CC 62a_100000739092_100000738999 [0,1,0,0,0,0|3,0,0]=4 4559 B11R0.142 CCSCCCC(=O)N(C)OC 62a_100000210202_100011842776 [0,1,0,0,0,0|3,0,0]=4 4560 B11R0.142 CCSCCCC(=O)N(C)OC 62a_100011842776_100000210202 [0,1,0,0,0,0|3,0,0]=4 4561 B11R0.142 CCSCCNC(=O)C(C)CC 11a_100000106463_100011192722 [0,1,0,0,0,0|3,0,0]=4 4562 B11R0.142 CCSCCNC(=O)C(C)CC 1626a_100000106463_100011192722 [0,1,0,0,0,0|3,0,0]=4 4563 B11R0.142 CCSCCNC(=O)C(C)CC 240690a_100000106463_100011192722 [0,1,0,0,0,0|3,0,0]=4 4564 B11R0.142 CCSCCNC(=O)C(C)CC 527a_100000106463_100011192722 [0,1,0,0,0,0|3,0,0]=4 4565 B11R0.142 CCSCCNC(=O)C(O)CC 240690a_100000106463_100011196387 [0,1,0,0,0,0|3,0,0]=4 4566 B11R0.142 CCSCCNC(=O)N(C)CC 2708a_100000106463_100000225621 [0,1,0,0,0,0|3,0,0]=4 4567 B11R0.142 CCSCCNC(=O)N(C)CC 273464a_100000106463_100000225621 [0,1,0,0,0,0|3,0,0]=4 4568 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [0,1,0,0,0,0|3,0,0]=4 4569 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,1,0,0,0,0|3,0,0]=4 4570 B11R0.142 CNC(=O)C(=O)CCCCOC 1458a_100011218921_100000755781 [0,1,0,0,0,0|3,0,0]=4 4571 B11R0.142 COC(C)C(=O)CCCCCF 1458a_100000743197_100000729378 [0,1,0,0,0,0|3,0,0]=4 4572 B11R0.142 COC(C)C(=O)CCCCCO 1458a_100000743197_100000746330 [0,1,0,0,0,0|3,0,0]=4 4573 B11R0.142 COCCCCC(=O)C(C)OC 1458a_100000743197_100000755781 [0,1,0,0,0,0|3,0,0]=4 4574 B11R0.142 COCCCCC(=O)C(C)SC 1458a_100000149566_100000755781 [0,1,0,0,0,0|3,0,0]=4 4575 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,1,0,0,0,0|3,0,0]=4 4576 B11R0.142 CSC(C)C(=O)CCCCCF 1458a_100000149566_100000729378 [0,1,0,0,0,0|3,0,0]=4 4577 B11R0.142 CSC(C)C(=O)CCCCCO 1458a_100000149566_100000746330 [0,1,0,0,0,0|3,0,0]=4 4578 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,1,0,0,0,0|3,0,0]=4 4579 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,1,0,0,0,0|3,0,0]=4 4580 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011215998_100000184674 [0,1,0,0,0,0|1,0,2]=4 4581 B11R0.155 C#CCC(=O)C(C)CCCCC 1458a_100011220946_200011218191 [0,1,0,0,0,0|1,0,2]=4 4582 B11R0.155 C#CCCNC(C)C(=O)OCC 34a_100000755551_100011216346 [0,1,0,0,0,0|1,0,2]=4 4583 B11R0.155 C#CCCNC(F)C(=O)OCC 34a_100000755551_100000760018 [0,1,0,0,0,0|1,0,2]=4 4584 B11R0.155 C#CCCOC(C)C(=O)OCC 34a_100011215631_100011216346 [0,1,0,0,0,0|1,0,2]=4 4585 B11R0.155 C#CCCOC(F)C(=O)OCC 34a_100011215631_100000760018 [0,1,0,0,0,0|1,0,2]=4 4586 B11R0.155 C#CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000688953 [0,1,0,0,0,0|1,0,2]=4 4587 B11R0.155 C#CCCSC(C)C(=O)OCC 62a_100000688953_100011216346 [0,1,0,0,0,0|1,0,2]=4 4588 B11R0.155 C#CCCSC(C)C(=O)OCC 62a_100011216346_100000688953 [0,1,0,0,0,0|1,0,2]=4 4589 B11R0.155 C#CCCSC(F)C(=O)OCC 62a_100000688953_100000760018 [0,1,0,0,0,0|1,0,2]=4 4590 B11R0.155 C#CCCSC(F)C(=O)OCC 62a_100000760018_100000688953 [0,1,0,0,0,0|1,0,2]=4 4591 B11R0.155 C/C=C/COC(C)C(=O)OCC 34a_100016270725_100011216346 [0,1,0,0,0,0|1,0,2]=4 4592 B11R0.155 C/C=C/COC(F)C(=O)OCC 34a_100016270725_100000760018 [0,1,0,0,0,0|1,0,2]=4 4593 B11R0.155 C/C=C/CO[C@@H](C)C(=O)OCC 7a_100000751109_100102629194 [0,1,0,0,0,0|1,0,2]=4 4594 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100011216346_100102629194 [0,1,0,0,0,0|1,0,2]=4 4595 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100102629194_100011216346 [0,1,0,0,0,0|1,0,2]=4 4596 B11R0.155 C/C=C/CSC(F)C(=O)OCC 62a_100000760018_100102629194 [0,1,0,0,0,0|1,0,2]=4 4597 B11R0.155 C/C=C/CSC(F)C(=O)OCC 62a_100102629194_100000760018 [0,1,0,0,0,0|1,0,2]=4 4598 B11R0.155 C=C(CNCCF)C(=O)OCC 34a_100000724931_100000755967 [0,1,0,0,0,0|2,0,1]=4 4599 B11R0.155 C=C(CNCCO)C(=O)OCC 34a_100016990907_100000755967 [0,1,0,0,0,0|2,0,1]=4 4600 B11R0.155 C=C(COCCBr)C(=O)OCC 34a_100000211926_100000755967 [0,1,0,0,0,0|2,0,1]=4 4601 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [0,1,0,0,0,0|1,0,1]=3 4602 B11R0.155 C=C(COCCN)C(=O)OCC 34a_100000210304_100000755967 [0,1,0,0,0,0|2,0,1]=4 4603 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [0,1,0,0,0,0|1,0,1]=3 4604 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [0,1,0,0,0,0|1,0,1]=3 4605 B11R0.155 C=C(CSCCF)C(=O)OCC 62a_100000755967_100011217306 [0,1,0,0,0,0|2,0,1]=4 4606 B11R0.155 C=C(CSCCF)C(=O)OCC 62a_100011217306_100000755967 [0,1,0,0,0,0|2,0,1]=4 4607 B11R0.155 C=C(CSCCO)C(=O)OCC 62a_100000211926_100000755967 [0,1,0,0,0,0|2,0,1]=4 4608 B11R0.155 C=C(CSCCO)C(=O)OCC 62a_100000755967_100000211926 [0,1,0,0,0,0|2,0,1]=4 4609 B11R0.155 C=C(CSCOC)C(=O)OCC 62a_100000755967_100000766300 [0,1,0,0,0,0|2,0,1]=4 4610 B11R0.155 C=C(CSCOC)C(=O)OCC 62a_100000766300_100000755967 [0,1,0,0,0,0|2,0,1]=4 4611 B11R0.155 C=C(CSCSC)C(=O)OCC 62a_100000755967_100011218213 [0,1,0,0,0,0|2,0,1]=4 4612 B11R0.155 C=C(CSCSC)C(=O)OCC 62a_100011218213_100000755967 [0,1,0,0,0,0|2,0,1]=4 4613 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100000210193_200011218191 [0,1,0,0,0,0|1,0,2]=4 4614 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100011215998_100000210623 [0,1,0,0,0,0|1,0,2]=4 4615 B11R0.155 C=CCCNC(C)C(=O)OCC 2230a_100015191253_100011215307 [0,1,0,0,0,0|1,0,2]=4 4616 B11R0.155 C=CCCNC(F)C(=O)OCC 2230a_100015191253_100000760018 [0,1,0,0,0,0|1,0,2]=4 4617 B11R0.155 C=CCCOC(C)C(=O)OCC 34a_100011205117_100011216346 [0,1,0,0,0,0|1,0,2]=4 4618 B11R0.155 C=CCCOC(F)C(=O)OCC 34a_100011205117_100000760018 [0,1,0,0,0,0|1,0,2]=4 4619 B11R0.155 C=CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000754431 [0,1,0,0,0,0|1,0,2]=4 4620 B11R0.155 C=CCCSC(C)C(=O)OCC 62a_100000754431_100011216346 [0,1,0,0,0,0|1,0,2]=4 4621 B11R0.155 C=CCCSC(C)C(=O)OCC 62a_100011216346_100000754431 [0,1,0,0,0,0|1,0,2]=4 4622 B11R0.155 C=CCCSC(F)C(=O)OCC 62a_100000754431_100000760018 [0,1,0,0,0,0|1,0,2]=4 4623 B11R0.155 C=CCCSC(F)C(=O)OCC 62a_100000760018_100000754431 [0,1,0,0,0,0|1,0,2]=4 4624 B11R0.155 CC#CC(=O)C(C)CCCCC 1458a_100000763181_200011218191 [0,1,0,0,0,0|1,0,1]=3 4625 B11R0.155 CC#CCNC(C)C(=O)OCC 2230a_100000685387_100011215307 [0,1,0,0,0,0|1,0,2]=4 4626 B11R0.155 CC#CCNC(C)C(=O)OCC 34a_100000685387_100011216346 [0,1,0,0,0,0|1,0,2]=4 4627 B11R0.155 CC#CCNC(F)C(=O)OCC 2230a_100000685387_100000760018 [0,1,0,0,0,0|1,0,2]=4 4628 B11R0.155 CC#CCNC(F)C(=O)OCC 34a_100000685387_100000760018 [0,1,0,0,0,0|1,0,2]=4 4629 B11R0.155 CC#CCOC(C)C(=O)OCC 34a_100000761923_100011216346 [0,1,0,0,0,0|1,0,2]=4 4630 B11R0.155 CC#CCOC(F)C(=O)OCC 34a_100000761923_100000760018 [0,1,0,0,0,0|1,0,2]=4 4631 B11R0.155 CC#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000748600 [0,1,0,0,0,0|1,0,2]=4 4632 B11R0.155 CC#CCSC(C)C(=O)OCC 62a_100000748600_100011216346 [0,1,0,0,0,0|1,0,2]=4 4633 B11R0.155 CC#CCSC(C)C(=O)OCC 62a_100011216346_100000748600 [0,1,0,0,0,0|1,0,2]=4 4634 B11R0.155 CC#CCSC(F)C(=O)OCC 62a_100000748600_100000760018 [0,1,0,0,0,0|1,0,2]=4 4635 B11R0.155 CC#CCSC(F)C(=O)OCC 62a_100000760018_100000748600 [0,1,0,0,0,0|1,0,2]=4 4636 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,1,0,0,0,0|2,0,1]=4 4637 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [0,1,0,0,0,0|1,0,1]=3 4638 B11R0.155 CC=CC(=O)N(C)CCCCC 11a_100000223495_100000210699 [0,1,0,0,0,0|2,0,1]=4 4639 B11R0.155 CC=CC(=O)N(C)CCCCC 1626a_100000223495_100000210699 [0,1,0,0,0,0|2,0,1]=4 4640 B11R0.155 CC=CC(=O)N(C)CCCCC 240690a_100000223495_100000210699 [0,1,0,0,0,0|2,0,1]=4 4641 B11R0.155 CC=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000070051 [0,1,0,0,0,0|1,0,2]=4 4642 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100000070051_100011216346 [0,1,0,0,0,0|1,0,2]=4 4643 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100011216346_100000070051 [0,1,0,0,0,0|1,0,2]=4 4644 B11R0.155 CC=CCSC(F)C(=O)OCC 62a_100000070051_100000760018 [0,1,0,0,0,0|1,0,2]=4 4645 B11R0.155 CC=CCSC(F)C(=O)OCC 62a_100000760018_100000070051 [0,1,0,0,0,0|1,0,2]=4 4646 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,1,0,0,0,0|3,0,0]=4 4647 B11R0.155 CCCC(=O)N(C)CCCOC 11a_100000224831_100000211992 [0,1,0,0,0,0|3,0,0]=4 4648 B11R0.155 CCCC(=O)N(C)CCCOC 1626a_100000224831_100000211992 [0,1,0,0,0,0|3,0,0]=4 4649 B11R0.155 CCCC(=O)N(C)CCCOC 240690a_100000224831_100000211992 [0,1,0,0,0,0|3,0,0]=4 4650 B11R0.155 CCCC(=O)N(C)CCCOC 527a_100000224831_100000211992 [0,1,0,0,0,0|3,0,0]=4 4651 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,1,0,0,0,0|1,0,1]=3 4652 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,1,0,0,0,0|1,0,2]=4 4653 B11R0.155 CCCCCC(C)C(=O)C=CBr 1458a_100016273825_200011218191 [0,1,0,0,0,0|2,0,1]=4 4654 B11R0.155 CCCCCC(C)C(=O)C=CCl 1458a_200016279998_200011218191 [0,1,0,0,0,0|2,0,1]=4 4655 B11R0.155 CCCCCC(C)C(=O)C=CI 1458a_100016256311_200011218191 [0,1,0,0,0,0|2,0,1]=4 4656 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100011215998_100011214920 [0,1,0,0,0,0|2,0,1]=4 4657 B11R0.155 CCCCCC(C)C(=O)CC#N 1458a_100051588842_200011218191 [0,1,0,0,0,0|2,0,1]=4 4658 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,1,0,0,0,0|1,0,0]=2 4659 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,1,0,0,0,0|1,0,0]=2 4660 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,1,0,0,0,0|2,0,0]=3 4661 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,1,0,0,0,0|2,0,0]=3 4662 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,1,0,0,0,0|2,0,0]=3 4663 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,1,0,0,0,0|2,0,0]=3 4664 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [0,1,0,0,0,0|2,0,0]=3 4665 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,1,0,0,0,0|1,0,0]=2 4666 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,1,0,0,0,0|1,0,0]=2 4667 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,1,0,0,0,0|1,0,0]=2 4668 B11R0.155 CCCCCC(C)C(=O)NNC 22a_100016993582_100011215998 [0,1,0,0,0,0|2,0,0]=3 4669 B11R0.155 CCCCCC(C)N(C)CCC 2230a_100000747261_200011218191 [0,1,0,0,0,0|3,0,0]=4 4670 B11R0.155 CCCCCC(C)N(C)CCC 269982a_100000747261_200011218191 [0,1,0,0,0,0|3,0,0]=4 4671 B11R0.155 CCCCCC(C)N(C)CCC 270004a_100000747261_100000211708 [0,1,0,0,0,0|3,0,0]=4 4672 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,1,0,0,0,0|2,0,0]=3 4673 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,1,0,0,0,0|2,0,0]=3 4674 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,1,0,0,0,0|2,0,0]=3 4675 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,1,0,0,0,0|2,0,0]=3 4676 B11R0.155 CCCCCN(C)C(=O)CCO 240690a_100000223495_100011216618 [0,1,0,0,0,0|3,0,0]=4 4677 B11R0.155 CCCCCN(C)C(=O)COC 11a_100000223495_100000210968 [0,1,0,0,0,0|3,0,0]=4 4678 B11R0.155 CCCCCN(C)C(=O)COC 1626a_100000223495_100000210968 [0,1,0,0,0,0|3,0,0]=4 4679 B11R0.155 CCCCCN(C)C(=O)COC 240690a_100000223495_100000210968 [0,1,0,0,0,0|3,0,0]=4 4680 B11R0.155 CCCCCN(C)C(=O)COC 527a_100000223495_100000210968 [0,1,0,0,0,0|3,0,0]=4 4681 B11R0.155 CCCCCN(C)C(=O)CSC 11a_100000223495_100000184570 [0,1,0,0,0,0|3,0,0]=4 4682 B11R0.155 CCCCCN(C)C(=O)CSC 1626a_100000223495_100000184570 [0,1,0,0,0,0|3,0,0]=4 4683 B11R0.155 CCCCCN(C)C(=O)CSC 240690a_100000223495_100000184570 [0,1,0,0,0,0|3,0,0]=4 4684 B11R0.155 CCCCCN(C)C(=O)CSC 527a_100000223495_100000184570 [0,1,0,0,0,0|3,0,0]=4 4685 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [0,1,0,0,0,0|2,0,0]=3 4686 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [0,1,0,0,0,0|2,0,0]=3 4687 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [0,1,0,0,0,0|2,0,1]=4 4688 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [0,1,0,0,0,0|2,0,1]=4 4689 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [0,1,0,0,0,0|2,0,1]=4 4690 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [0,1,0,0,0,0|1,0,1]=3 4691 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [0,1,0,0,0,0|1,0,1]=3 4692 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [0,1,0,0,0,0|1,0,1]=3 4693 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [0,1,0,0,0,0|2,0,0]=3 4694 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [0,1,0,0,0,0|2,0,0]=3 4695 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [0,1,0,0,0,0|2,0,0]=3 4696 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [0,1,0,0,0,0|2,0,0]=3 4697 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,1,0,0,0,0|1,0,0]=2 4698 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,1,0,0,0,0|1,0,0]=2 4699 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,1,0,0,0,0|1,0,0]=2 4700 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,1,0,0,0,0|1,0,0]=2 4701 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [0,1,0,0,0,0|1,1,0]=3 4702 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,1,0,0,0,0|2,0,0]=3 4703 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,1,0,0,0,0|2,0,0]=3 4704 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,1,0,0,0,0|1,0,0]=2 4705 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,1,0,0,0,0|1,0,0]=2 4706 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,1,0,0,0,0|1,0,0]=2 4707 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,1,0,0,0,0|1,0,0]=2 4708 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,1,0,0,0,0|1,0,0]=2 4709 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,1,0,0,0,0|2,0,0]=3 4710 B11R0.155 CCCCSC(C)C(=O)CCF 1458a_100000191163_100011217306 [0,1,0,0,0,0|3,0,0]=4 4711 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [0,1,0,0,0,0|3,0,0]=4 4712 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [0,1,0,0,0,0|2,0,0]=3 4713 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [0,1,0,0,0,0|2,0,0]=3 4714 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [0,1,0,0,0,0|2,0,0]=3 4715 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [0,1,0,0,0,0|2,0,0]=3 4716 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [0,1,0,0,0,0|2,0,0]=3 4717 B11R0.155 CCCCSC(C)C(=O)NNC 22a_100016993582_100000191163 [0,1,0,0,0,0|3,0,0]=4 4718 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,1,0,0,0,0|1,0,0]=2 4719 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,1,0,0,0,0|1,0,0]=2 4720 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,1,0,0,0,0|1,0,0]=2 4721 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,1,0,0,0,0|1,0,0]=2 4722 B11R0.155 CCCNN=C(C)C(=O)OCC 4a_100000740057_100000209952 [0,1,0,0,0,0|2,0,1]=4 4723 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,1,0,0,0,0|1,0,1]=3 4724 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,1,0,0,0,0|1,0,1]=3 4725 B11R0.155 CCNC(=O)C(=O)CCCCF 1458a_200011297158_100000729493 [0,1,0,0,0,0|2,0,1]=4 4726 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [0,1,0,0,0,0|2,0,1]=4 4727 B11R0.155 CCNC(=O)C(=O)CCCOC 1458a_200011297158_100000740836 [0,1,0,0,0,0|2,0,1]=4 4728 B11R0.155 CCNC(=O)C(=O)CCOCC 1458a_200011297158_100011215890 [0,1,0,0,0,0|2,0,1]=4 4729 B11R0.155 CCNC(=O)C(=O)CCSCC 1458a_200011297158_100000757381 [0,1,0,0,0,0|2,0,1]=4 4730 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100000736553_100011934791 [0,1,0,0,0,0|3,0,0]=4 4731 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100015189416_100000230173 [0,1,0,0,0,0|3,0,0]=4 4732 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100000736553_100011934791 [0,1,0,0,0,0|3,0,0]=4 4733 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100015189416_100000230173 [0,1,0,0,0,0|3,0,0]=4 4734 B11R0.155 CCNC(=O)C(C)NCCCO 2230a_100000736553_100000230001 [0,1,0,0,0,0|3,0,0]=4 4735 B11R0.155 CCNC(=O)C(C)NCCCO 34a_100000736553_100000230001 [0,1,0,0,0,0|3,0,0]=4 4736 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000209980_100000230173 [0,1,0,0,0,0|3,0,0]=4 4737 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000736553_100011201679 [0,1,0,0,0,0|3,0,0]=4 4738 B11R0.155 CCNC(=O)C(C)NCCOC 34a_100000736553_100011201679 [0,1,0,0,0,0|3,0,0]=4 4739 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100000736553_100000751147 [0,1,0,0,0,0|3,0,0]=4 4740 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100020590264_100000230173 [0,1,0,0,0,0|3,0,0]=4 4741 B11R0.155 CCNC(=O)C(C)NCCSC 34a_100000736553_100000212216 [0,1,0,0,0,0|3,0,0]=4 4742 B11R0.155 CCNC(=O)C(C)OCCCBr 34a_100011217188_100000230173 [0,1,0,0,0,0|3,0,0]=4 4743 B11R0.155 CCNC(=O)C(C)OCCCCl 34a_100000230001_100000230173 [0,1,0,0,0,0|3,0,0]=4 4744 B11R0.155 CCNC(=O)C(C)OCCCF 34a_100000759539_100000230173 [0,1,0,0,0,0|3,0,0]=4 4745 B11R0.155 CCNC(=O)C(C)OCCCN 34a_100000182051_100000230173 [0,1,0,0,0,0|3,0,0]=4 4746 B11R0.155 CCNC(=O)C(C)OCCOC 34a_100000210237_100000230173 [0,1,0,0,0,0|3,0,0]=4 4747 B11R0.155 CCNC(=O)C(C)OCCSC 34a_100000230434_100000230173 [0,1,0,0,0,0|3,0,0]=4 4748 B11R0.155 CCNC(=O)C(C)OCCSC 7a_100000230434_100000230173 [0,1,0,0,0,0|3,0,0]=4 4749 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100000230173_100011934791 [0,1,0,0,0,0|3,0,0]=4 4750 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100011934791_100000230173 [0,1,0,0,0,0|3,0,0]=4 4751 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100000230173_100011215043 [0,1,0,0,0,0|3,0,0]=4 4752 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100011215043_100000230173 [0,1,0,0,0,0|3,0,0]=4 4753 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000230173_100000233755 [0,1,0,0,0,0|3,0,0]=4 4754 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000233755_100000230173 [0,1,0,0,0,0|3,0,0]=4 4755 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000212216_100000230173 [0,1,0,0,0,0|3,0,0]=4 4756 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000230173_100000751147 [0,1,0,0,0,0|3,0,0]=4 4757 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000230173_100000739092 [0,1,0,0,0,0|3,0,0]=4 4758 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000739092_100000230173 [0,1,0,0,0,0|3,0,0]=4 4759 B11R0.155 CCNC(=O)N(C)CCCCO 2708a_100015525214_100000717598 [0,1,0,0,0,0|3,0,0]=4 4760 B11R0.155 CCNC(=O)N(C)CCCCO 273464a_100015525214_100000717598 [0,1,0,0,0,0|3,0,0]=4 4761 B11R0.155 CCNC(=O)N(C)CCCOC 2708a_100015525214_100000224831 [0,1,0,0,0,0|3,0,0]=4 4762 B11R0.155 CCNC(=O)N(C)CCCOC 273464a_100015525214_100000224831 [0,1,0,0,0,0|3,0,0]=4 4763 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100000211299_100011217306 [0,1,0,0,0,0|2,0,1]=4 4764 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100011217306_100000211299 [0,1,0,0,0,0|2,0,1]=4 4765 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211299_100000211926 [0,1,0,0,0,0|2,0,1]=4 4766 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211926_100000211299 [0,1,0,0,0,0|2,0,1]=4 4767 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000211299_100000766300 [0,1,0,0,0,0|2,0,1]=4 4768 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000766300_100000211299 [0,1,0,0,0,0|2,0,1]=4 4769 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100000211299_100011218213 [0,1,0,0,0,0|2,0,1]=4 4770 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100011218213_100000211299 [0,1,0,0,0,0|2,0,1]=4 4771 B11R0.155 CCOC(=O)C(=O)NCCCF 11a_100015189416_100014798877 [0,1,0,0,0,0|2,0,1]=4 4772 B11R0.155 CCOC(=O)C(=O)NCCCF 1626a_100015189416_100014798877 [0,1,0,0,0,0|2,0,1]=4 4773 B11R0.155 CCOC(=O)C(=O)NCCCF 240690a_100015189416_100014798877 [0,1,0,0,0,0|2,0,1]=4 4774 B11R0.155 CCOC(=O)C(=O)NCCCO 240690a_100000182051_100014798877 [0,1,0,0,0,0|2,0,1]=4 4775 B11R0.155 CCOC(=O)C(=O)NCCOC 1626a_100000209980_100014798877 [0,1,0,0,0,0|2,0,1]=4 4776 B11R0.155 CCOC(=O)C(=O)NCCOC 240690a_100000209980_100014798877 [0,1,0,0,0,0|2,0,1]=4 4777 B11R0.155 CCOC(=O)C(=O)NCCSC 11a_100020590264_100014798877 [0,1,0,0,0,0|2,0,1]=4 4778 B11R0.155 CCOC(=O)C(=O)NCCSC 1626a_100020590264_100014798877 [0,1,0,0,0,0|2,0,1]=4 4779 B11R0.155 CCOC(=O)C(=O)NCCSC 240690a_100020590264_100014798877 [0,1,0,0,0,0|2,0,1]=4 4780 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [0,1,0,0,0,0|2,0,0]=3 4781 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [0,1,0,0,0,0|2,0,0]=3 4782 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [0,1,0,0,0,0|2,0,0]=3 4783 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [0,1,0,0,0,0|2,0,0]=3 4784 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,1,0,0,0,0|2,0,0]=3 4785 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,1,0,0,0,0|2,0,0]=3 4786 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,1,0,0,0,0|2,0,0]=3 4787 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,1,0,0,0,0|2,0,0]=3 4788 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,1,0,0,0,0|2,0,0]=3 4789 B11R0.155 CCOC(=O)C(C)OCCON 34a_100000700252_100011216346 [0,1,0,0,0,0|3,0,0]=4 4790 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,1,0,0,0,0|2,0,0]=3 4791 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,1,0,0,0,0|2,0,0]=3 4792 B11R0.155 CCOC(=O)C(C)SCCC#N 62a_100011215226_100011216346 [0,1,0,0,0,0|2,0,1]=4 4793 B11R0.155 CCOC(=O)C(C)SCCC#N 62a_100011216346_100011215226 [0,1,0,0,0,0|2,0,1]=4 4794 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [0,1,0,0,0,0|2,0,0]=3 4795 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [0,1,0,0,0,0|2,0,0]=3 4796 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,1,0,0,0,0|2,0,0]=3 4797 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,1,0,0,0,0|2,0,0]=3 4798 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [0,1,0,0,0,0|2,0,0]=3 4799 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [0,1,0,0,0,0|2,0,0]=3 4800 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [0,1,0,0,0,0|2,0,0]=3 4801 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [0,1,0,0,0,0|2,0,0]=3 4802 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [0,1,0,0,0,0|2,0,0]=3 4803 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [0,1,0,0,0,0|2,0,0]=3 4804 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [0,1,0,0,0,0|2,0,0]=3 4805 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [0,1,0,0,0,0|2,0,0]=3 4806 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [0,1,0,0,0,0|2,0,0]=3 4807 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [0,1,0,0,0,0|2,0,0]=3 4808 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [0,1,0,0,0,0|2,0,0]=3 4809 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,1,0,0,0,0|2,0,0]=3 4810 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [0,1,0,0,0,0|2,0,0]=3 4811 B11R0.155 CCOC(=O)C(F)OCCON 34a_100000700252_100000760018 [0,1,0,0,0,0|3,0,0]=4 4812 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [0,1,0,0,0,0|2,0,0]=3 4813 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [0,1,0,0,0,0|2,0,0]=3 4814 B11R0.155 CCOC(=O)C(F)SCCC#N 62a_100000760018_100011215226 [0,1,0,0,0,0|2,0,1]=4 4815 B11R0.155 CCOC(=O)C(F)SCCC#N 62a_100011215226_100000760018 [0,1,0,0,0,0|2,0,1]=4 4816 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [0,1,0,0,0,0|2,0,0]=3 4817 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [0,1,0,0,0,0|2,0,0]=3 4818 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,1,0,0,0,0|2,0,0]=3 4819 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,1,0,0,0,0|2,0,0]=3 4820 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [0,1,0,0,0,0|2,0,0]=3 4821 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [0,1,0,0,0,0|2,0,0]=3 4822 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [0,1,0,0,0,0|2,0,0]=3 4823 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [0,1,0,0,0,0|2,0,0]=3 4824 B11R0.155 CCOC(=O)[C@H](C)OCCC#N 7a_100000751109_100000184422 [0,1,0,0,0,0|2,0,1]=4 4825 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,1,0,0,0,0|2,0,0]=3 4826 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,1,0,0,0,0|2,0,0]=3 4827 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,1,0,0,0,0|2,0,0]=3 4828 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,1,0,0,0,0|2,0,0]=3 4829 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [0,1,0,0,0,0|2,0,0]=3 4830 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [0,1,0,0,0,0|2,0,0]=3 4831 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [0,1,0,0,0,0|2,0,0]=3 4832 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [0,1,0,0,0,0|2,0,0]=3 4833 B11R0.155 CCSC(=O)[C@H](C)NCCCF 2230a_100103168634_100011934791 [0,1,0,0,0,0|2,1,0]=4 4834 B11R0.155 CCSC(=O)[C@H](C)NCCCO 2230a_100103168634_100000230001 [0,1,0,0,0,0|2,1,0]=4 4835 B11R0.155 CCSC(=O)[C@H](C)NCCOC 2230a_100103168634_100011201679 [0,1,0,0,0,0|2,1,0]=4 4836 B11R0.155 CCSC(=O)[C@H](C)NCCSC 2230a_100103168634_100000751147 [0,1,0,0,0,0|2,1,0]=4 4837 B11R0.161 C#CC(CCCCCBr)OCC 34a_200010408556_100000210202 [0,1,0,0,0,0|2,0,1]=4 4838 B11R0.161 C#CC(CCCCCBr)OCC 7a_200010408556_100000210202 [0,1,0,0,0,0|2,0,1]=4 4839 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [0,1,0,0,0,0|1,0,1]=3 4840 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [0,1,0,0,0,0|1,0,1]=3 4841 B11R0.161 C=CC(CCCCCC)OCF 34a_200011215977_100015361967 [0,1,0,0,0,0|2,0,1]=4 4842 B11R0.161 C=CC(CCCCCC)OCF 7a_200011215977_100015361967 [0,1,0,0,0,0|2,0,1]=4 4843 B11R0.161 CCCCCCC(CC)NCC 270004a_100015525214_100011219640 [0,1,0,0,0,0|2,0,1]=4 4844 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [0,1,0,0,0,0|1,0,1]=3 4845 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [0,1,0,0,0,0|1,0,1]=3 4846 B11R0.161 CCCCCCC(CC)OCF 34a_100011215785_100015361967 [0,1,0,0,0,0|2,0,1]=4 4847 B11R0.161 CCCCCCC(CC)OCF 7a_100011215785_100015361967 [0,1,0,0,0,0|2,0,1]=4 4848 B11R0.161 CCCCCCC(CCC)NC 270004a_106832991635_200011215359 [0,1,0,0,0,0|2,0,1]=4 4849 B11R0.161 CCCCCCC(CCC)OC 34a_200011215193_200000210301 [0,1,0,0,0,0|1,0,2]=4 4850 B11R0.161 CCCCCCC(CCC)OC 7a_200011215193_200000210301 [0,1,0,0,0,0|1,0,2]=4 4851 B11R0.161 CCCCCCC(CCC)O[13CH3] 34a_200011215193_200025704644 [0,1,0,0,0,0|1,0,2]=4 4852 B11R0.161 CCCCCCC(CCC)O[13CH3] 7a_200011215193_200025704644 [0,1,0,0,0,0|1,0,2]=4 4853 B11R0.161 CCCCCCN(CC)CCC 2230a_100000226822_100000210314 [0,1,0,0,0,0|3,0,0]=4 4854 B11R0.161 CCCCCCN(CC)CCC 269982a_100000226822_100000210757 [0,1,0,0,0,0|3,0,0]=4 4855 B11R0.161 CCCCNCC(CC)OCC 2230a_100015183923_100000210211 [0,1,0,0,0,0|2,0,1]=4 4856 B11R0.161 CCCCNCC(CC)OCC 34a_100015183923_100000210210 [0,1,0,0,0,0|2,0,1]=4 4857 B11R0.174 C#CC(=O)CCCC(=O)OCC 1458a_100000211873_100011215271 [0,1,0,0,0,0|0,0,3]=4 4858 B11R0.174 C#CC(C)NCCC(=O)OCC 2230a_100000707721_100011206558 [0,1,0,0,0,0|1,0,2]=4 4859 B11R0.174 C#CC(C)NCCC(=O)OCC 34a_100000707721_100000765890 [0,1,0,0,0,0|1,0,2]=4 4860 B11R0.174 C#CC(C)SCCC(=O)OCC 62a_200000035995_100000765890 [0,1,0,0,0,0|1,0,2]=4 4861 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 34a_100009815206_100000765890 [0,1,0,0,0,0|1,0,2]=4 4862 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 7a_100009815206_100011206558 [0,1,0,0,0,0|1,0,2]=4 4863 B11R0.174 C=CC(=O)CCCC(=O)OCC 1458a_100000185746_100011215271 [0,1,0,0,0,0|0,0,3]=4 4864 B11R0.174 C=CC(C)COCC(=O)OCC 34a_100011215527_100000188475 [0,1,0,0,0,0|1,0,2]=4 4865 B11R0.174 C=CC(C)COCC(=O)OCC 7a_100011215527_100000188475 [0,1,0,0,0,0|1,0,2]=4 4866 B11R0.174 C=CC(C)OCCC(=O)OCC 34a_100000695699_100000765890 [0,1,0,0,0,0|1,0,2]=4 4867 B11R0.174 C=CC(C)SCCC(=O)OCC 62a_100011215867_100000765890 [0,1,0,0,0,0|1,0,2]=4 4868 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000188475_100000730141 [0,1,0,0,0,0|1,0,2]=4 4869 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000730141_100000188475 [0,1,0,0,0,0|1,0,2]=4 4870 B11R0.174 C=COC(=O)CNCC(C)CC 2230a_100020588543_100000036128 [0,1,0,0,0,0|1,0,2]=4 4871 B11R0.174 C=COC(=O)CNCC(O)CC 2230a_100011218483_100000036128 [0,1,0,0,0,0|1,0,2]=4 4872 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000036128_100000748023 [0,1,0,0,0,0|1,0,2]=4 4873 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000748023_100000036128 [0,1,0,0,0,0|1,0,2]=4 4874 B11R0.174 C=COC(=O)CSCC(O)CC 62a_100000036128_100011218378 [0,1,0,0,0,0|1,0,2]=4 4875 B11R0.174 C=COC(=O)CSCC(O)CC 62a_100011218378_100000036128 [0,1,0,0,0,0|1,0,2]=4 4876 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100000036128_100009816398 [0,1,0,0,0,0|1,0,2]=4 4877 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100009816398_100000036128 [0,1,0,0,0,0|1,0,2]=4 4878 B11R0.174 C=C[C@H](N)COCC(=O)OCC 34a_100016989147_100000188475 [0,1,0,0,0,0|1,0,2]=4 4879 B11R0.174 CC#CC(=O)CCCN(C)CC 1458a_100000763181_100015186262 [0,1,0,0,0,0|2,0,1]=4 4880 B11R0.174 CC=CC(=O)CCCN(C)CC 1458a_100000210699_100015186262 [0,1,0,0,0,0|2,0,1]=4 4881 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [0,1,0,0,0,0|2,0,1]=4 4882 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [0,1,0,0,0,0|2,0,1]=4 4883 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [0,1,0,0,0,0|2,0,1]=4 4884 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,1,0,0,0,0|3,0,0]=4 4885 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,1,0,0,0,0|3,0,0]=4 4886 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,1,0,0,0,0|3,0,0]=4 4887 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,1,0,0,0,0|3,0,0]=4 4888 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,1,0,0,0,0|3,0,0]=4 4889 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,1,0,0,0,0|3,0,0]=4 4890 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,1,0,0,0,0|3,0,0]=4 4891 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,1,0,0,0,0|3,0,0]=4 4892 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,1,0,0,0,0|3,0,0]=4 4893 B11R0.174 CCC(C)CCNC(=O)NNC 273464a_100020591266_100016993582 [0,1,0,0,0,0|3,0,0]=4 4894 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100016993582_100020591266 [0,1,0,0,0,0|3,0,0]=4 4895 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100020591266_100016993582 [0,1,0,0,0,0|3,0,0]=4 4896 B11R0.174 CCC(C)CNCC(=O)NCO 2230a_100020588543_100000185155 [0,1,0,0,0,0|3,0,0]=4 4897 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000185155_100000748023 [0,1,0,0,0,0|3,0,0]=4 4898 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000748023_100000185155 [0,1,0,0,0,0|3,0,0]=4 4899 B11R0.174 CCC(O)CNCC(=O)NCO 2230a_100011218483_100000185155 [0,1,0,0,0,0|3,0,0]=4 4900 B11R0.174 CCC(O)CSCC(=O)NCO 62a_100000185155_100011218378 [0,1,0,0,0,0|3,0,0]=4 4901 B11R0.174 CCC(O)CSCC(=O)NCO 62a_100011218378_100000185155 [0,1,0,0,0,0|3,0,0]=4 4902 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,1,0,0,0,0|2,0,1]=4 4903 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,1,0,0,0,0|2,0,1]=4 4904 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,1,0,0,0,0|2,0,1]=4 4905 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,1,0,0,0,0|2,0,0]=3 4906 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,1,0,0,0,0|2,0,0]=3 4907 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,1,0,0,0,0|2,0,0]=3 4908 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,1,0,0,0,0|3,0,0]=4 4909 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,1,0,0,0,0|3,0,0]=4 4910 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,1,0,0,0,0|2,0,0]=3 4911 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,1,0,0,0,0|2,0,1]=4 4912 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,1,0,0,0,0|2,0,1]=4 4913 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,1,0,0,0,0|2,0,0]=3 4914 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,1,0,0,0,0|2,0,0]=3 4915 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,1,0,0,0,0|2,0,0]=3 4916 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,1,0,0,0,0|2,0,0]=3 4917 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,1,0,0,0,0|3,0,0]=4 4918 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,1,0,0,0,0|3,0,0]=4 4919 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,1,0,0,0,0|2,0,0]=3 4920 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,1,0,0,0,0|2,0,0]=3 4921 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,1,0,0,0,0|3,0,0]=4 4922 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,1,0,0,0,0|3,0,0]=4 4923 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,1,0,0,0,0|3,0,0]=4 4924 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,1,0,0,0,0|3,0,0]=4 4925 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,1,0,0,0,0|3,0,0]=4 4926 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,1,0,0,0,0|3,0,0]=4 4927 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,1,0,0,0,0|2,0,0]=3 4928 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,1,0,0,0,0|2,0,0]=3 4929 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,1,0,0,0,0|2,0,0]=3 4930 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,1,0,0,0,0|2,0,0]=3 4931 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,1,0,0,0,0|3,0,0]=4 4932 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,1,0,0,0,0|3,0,0]=4 4933 B11R0.174 CCCC(=O)NNCC(O)CC 22a_100015206393_100000211992 [0,1,0,0,0,0|3,0,0]=4 4934 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,1,0,0,0,0|3,0,0]=4 4935 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,1,0,0,0,0|3,0,0]=4 4936 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,1,0,0,0,0|3,0,0]=4 4937 B11R0.174 CCN(C)CCCC(=O)COC 1458a_100000210968_100015186262 [0,1,0,0,0,0|3,0,0]=4 4938 B11R0.174 CCN(C)CCCC(=O)CSC 1458a_100000184570_100015186262 [0,1,0,0,0,0|3,0,0]=4 4939 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,1,0,0,0,0|1,0,1]=3 4940 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,1,0,0,0,0|2,0,1]=4 4941 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,1,0,0,0,0|2,0,1]=4 4942 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 4943 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 4944 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,1,0,0,0,0|2,0,1]=4 4945 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,1,0,0,0,0|2,0,1]=4 4946 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,1,0,0,0,0|2,0,1]=4 4947 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,1,0,0,0,0|2,0,1]=4 4948 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,1,0,0,0,0|2,0,1]=4 4949 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,1,0,0,0,0|2,0,1]=4 4950 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,1,0,0,0,0|2,0,1]=4 4951 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,1,0,0,0,0|2,0,1]=4 4952 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [0,1,0,0,0,0|2,0,0]=3 4953 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [0,1,0,0,0,0|2,0,0]=3 4954 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [0,1,0,0,0,0|3,0,0]=4 4955 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [0,1,0,0,0,0|3,0,0]=4 4956 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,1,0,0,0,0|2,0,0]=3 4957 B11R0.174 CCNC(=O)CCOC(C)CF 7a_100016041109_100000737597 [0,1,0,0,0,0|3,0,0]=4 4958 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [0,1,0,0,0,0|2,0,0]=3 4959 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [0,1,0,0,0,0|2,0,0]=3 4960 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [0,1,0,0,0,0|3,0,0]=4 4961 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100000737597_100009879195 [0,1,0,0,0,0|3,0,0]=4 4962 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100009879195_100000737597 [0,1,0,0,0,0|3,0,0]=4 4963 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [0,1,0,0,0,0|3,0,0]=4 4964 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [0,1,0,0,0,0|3,0,0]=4 4965 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [0,1,0,0,0,0|2,0,0]=3 4966 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [0,1,0,0,0,0|2,0,0]=3 4967 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [0,1,0,0,0,0|2,0,0]=3 4968 B11R0.174 CCNC(=O)CNCC(C)CO 34a_100000744482_100000183381 [0,1,0,0,0,0|3,0,0]=4 4969 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183381 [0,1,0,0,0,0|2,0,0]=3 4970 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100016988866_100011218378 [0,1,0,0,0,0|2,0,0]=3 4971 B11R0.174 CCNC(=O)CNCC(O)CO 2230a_100016988866_100011219619 [0,1,0,0,0,0|3,0,0]=4 4972 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [0,1,0,0,0,0|2,0,0]=3 4973 B11R0.174 CCNC(=O)CNC[C@@H](C)CO 2230a_100016988866_100000059175 [0,1,0,0,0,0|3,0,0]=4 4974 B11R0.174 CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183381 [0,1,0,0,0,0|3,0,0]=4 4975 B11R0.174 CCNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183381 [0,1,0,0,0,0|3,0,0]=4 4976 B11R0.174 CCNC(=O)CNC[C@@H](O)CF 2230a_100016988866_100015614560 [0,1,0,0,0,0|3,0,0]=4 4977 B11R0.174 CCNC(=O)CNC[C@@H](O)CO 2230a_100016988866_100009815848 [0,1,0,0,0,0|3,0,0]=4 4978 B11R0.174 CCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183381 [0,1,0,0,0,0|3,0,0]=4 4979 B11R0.174 CCNC(=O)COCC(=O)CC 34a_100000725409_100000183381 [0,1,0,0,0,0|2,0,1]=4 4980 B11R0.174 CCNC(=O)COCC(C)CN 34a_100000744482_100000183381 [0,1,0,0,0,0|3,0,0]=4 4981 B11R0.174 CCNC(=O)COCC(C)OC 34a_100000690652_100000183381 [0,1,0,0,0,0|3,0,0]=4 4982 B11R0.174 CCNC(=O)COCC(Cl)CCl 34a_100000033668_100000183381 [0,1,0,0,0,0|3,0,0]=4 4983 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,1,0,0,0,0|2,0,0]=3 4984 B11R0.174 CCNC(=O)COC[C@H](F)CN 34a_100015665980_100000183381 [0,1,0,0,0,0|3,0,0]=4 4985 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000183381_100000747405 [0,1,0,0,0,0|2,0,1]=4 4986 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183381 [0,1,0,0,0,0|2,0,1]=4 4987 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [0,1,0,0,0,0|2,0,0]=3 4988 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [0,1,0,0,0,0|2,0,0]=3 4989 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100000183381_100011218378 [0,1,0,0,0,0|2,0,0]=3 4990 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100011218378_100000183381 [0,1,0,0,0,0|2,0,0]=3 4991 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100000183381_100011219619 [0,1,0,0,0,0|3,0,0]=4 4992 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100011219619_100000183381 [0,1,0,0,0,0|3,0,0]=4 4993 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [0,1,0,0,0,0|2,0,0]=3 4994 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [0,1,0,0,0,0|2,0,0]=3 4995 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183381 [0,1,0,0,0,0|3,0,0]=4 4996 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000183381_100000059175 [0,1,0,0,0,0|3,0,0]=4 4997 B11R0.174 CCNC(=O)CSC[C@@H](O)CF 62a_100000183381_100015614560 [0,1,0,0,0,0|3,0,0]=4 4998 B11R0.174 CCNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183381 [0,1,0,0,0,0|3,0,0]=4 4999 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100000183381_100009815848 [0,1,0,0,0,0|3,0,0]=4 5000 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183381 [0,1,0,0,0,0|3,0,0]=4 5001 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 5002 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 5003 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 5004 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 5005 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,1,0,0,0,0|2,0,0]=3 5006 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,1,0,0,0,0|2,0,0]=3 5007 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,1,0,0,0,0|3,0,0]=4 5008 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,1,0,0,0,0|3,0,0]=4 5009 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,1,0,0,0,0|3,0,0]=4 5010 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,1,0,0,0,0|3,0,0]=4 5011 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,1,0,0,0,0|3,0,0]=4 5012 B11R0.174 CCNC(=O)NNCC(O)CC 273464a_100015525214_100015206393 [0,1,0,0,0,0|3,0,0]=4 5013 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015206393_100015525214 [0,1,0,0,0,0|3,0,0]=4 5014 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015525214_100015206393 [0,1,0,0,0,0|3,0,0]=4 5015 B11R0.174 CCOC(=O)/C=C/CN(C)CC 2230a_100000225621_100016267167 [0,1,0,0,0,0|1,0,2]=4 5016 B11R0.174 CCOC(=O)/C=C/CN(C)CC 269982a_100000225621_100016267167 [0,1,0,0,0,0|1,0,2]=4 5017 B11R0.174 CCOC(=O)C=NNC(C)CC 4a_100000718999_100000742314 [0,1,0,0,0,0|2,0,1]=4 5018 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,1,0,0,0,0|0,0,1]=2 5019 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,1,0,0,0,0|0,0,1]=2 5020 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,1,0,0,0,0|1,0,1]=3 5021 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,1,0,0,0,0|1,0,1]=3 5022 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,1,0,0,0,0|1,0,1]=3 5023 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,1,0,0,0,0|1,0,1]=3 5024 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,1,0,0,0,0|1,0,1]=3 5025 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,1,0,0,0,0|1,0,1]=3 5026 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,1,0,0,0,0|1,0,0]=2 5027 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,1,0,0,0,0|1,0,0]=2 5028 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,1,0,0,0,0|1,0,1]=3 5029 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,1,0,0,0,0|2,0,1]=4 5030 B11R0.174 CCOC(=O)CCNC(C)C#N 2230a_100000737613_100011206558 [0,1,0,0,0,0|2,0,1]=4 5031 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,1,0,0,0,0|1,0,0]=2 5032 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,1,0,0,0,0|2,0,0]=3 5033 B11R0.174 CCOC(=O)CCOC(C)C#N 34a_100011218135_100000765890 [0,1,0,0,0,0|2,0,1]=4 5034 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,1,0,0,0,0|1,0,0]=2 5035 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,1,0,0,0,0|2,0,0]=3 5036 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,1,0,0,0,0|2,0,0]=3 5037 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,1,0,0,0,0|2,0,0]=3 5038 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000703298_100000765890 [0,1,0,0,0,0|2,0,1]=4 5039 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000765890_100000703298 [0,1,0,0,0,0|2,0,1]=4 5040 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,1,0,0,0,0|1,0,0]=2 5041 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,1,0,0,0,0|1,0,0]=2 5042 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,1,0,0,0,0|2,0,0]=3 5043 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,1,0,0,0,0|2,0,0]=3 5044 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,1,0,0,0,0|2,0,0]=3 5045 B11R0.174 CCOC(=O)CCSC(F)C#N 62a_100000765890_200000117898 [0,1,0,0,0,0|2,0,1]=4 5046 B11R0.174 CCOC(=O)CCSC(F)C#N 62a_200000117898_100000765890 [0,1,0,0,0,0|2,0,1]=4 5047 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,1,0,0,0,0|2,0,0]=3 5048 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,1,0,0,0,0|2,0,0]=3 5049 B11R0.174 CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000188475 [0,1,0,0,0,0|2,0,1]=4 5050 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,1,0,0,0,0|1,0,0]=2 5051 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,1,0,0,0,0|2,0,0]=3 5052 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,1,0,0,0,0|1,0,0]=2 5053 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,1,0,0,0,0|2,0,0]=3 5054 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,1,0,0,0,0|2,0,0]=3 5055 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,1,0,0,0,0|2,0,0]=3 5056 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,1,0,0,0,0|1,0,1]=3 5057 B11R0.174 CCOC(=O)COCC(=O)NC 34a_100000750040_100000188475 [0,1,0,0,0,0|2,0,1]=4 5058 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,1,0,0,0,0|2,0,0]=3 5059 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,1,0,0,0,0|2,0,0]=3 5060 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [0,1,0,0,0,0|2,0,0]=3 5061 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,1,0,0,0,0|1,0,0]=2 5062 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [0,1,0,0,0,0|2,0,0]=3 5063 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,1,0,0,0,0|1,0,1]=3 5064 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,1,0,0,0,0|1,0,1]=3 5065 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000183359_100000188475 [0,1,0,0,0,0|2,0,1]=4 5066 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000188475_100000183359 [0,1,0,0,0,0|2,0,1]=4 5067 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,1,0,0,0,0|2,0,1]=4 5068 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,1,0,0,0,0|2,0,1]=4 5069 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,1,0,0,0,0|1,0,0]=2 5070 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,1,0,0,0,0|1,0,0]=2 5071 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,1,0,0,0,0|1,0,0]=2 5072 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,1,0,0,0,0|1,0,0]=2 5073 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,1,0,0,0,0|2,0,0]=3 5074 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,1,0,0,0,0|2,0,0]=3 5075 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,1,0,0,0,0|1,0,0]=2 5076 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,1,0,0,0,0|1,0,0]=2 5077 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,1,0,0,0,0|2,0,0]=3 5078 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,1,0,0,0,0|2,0,0]=3 5079 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [0,1,0,0,0,0|2,0,0]=3 5080 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [0,1,0,0,0,0|2,0,0]=3 5081 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,1,0,0,0,0|2,0,0]=3 5082 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,1,0,0,0,0|2,0,0]=3 5083 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,1,0,0,0,0|1,0,1]=3 5084 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,1,0,0,0,0|2,0,1]=4 5085 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,1,0,0,0,0|2,0,0]=3 5086 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,1,0,0,0,0|2,0,0]=3 5087 B11R0.174 CCOC(=O)OCSC(C)CO 62a_100012180447_100000075025 [0,1,0,0,0,0|3,0,0]=4 5088 B11R0.174 CCOC(=O)OCSC(C)OC 62a_100009879195_100000075025 [0,1,0,0,0,0|3,0,0]=4 5089 B11R0.174 CCOC(=O)OCS[C@H](C)CO 62a_100016084084_100000075025 [0,1,0,0,0,0|3,0,0]=4 5090 B11R0.174 CC[C@H](C)COCC(=O)NCO 7a_100009816381_100000185155 [0,1,0,0,0,0|3,0,0]=4 5091 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100000185155_100009816398 [0,1,0,0,0,0|3,0,0]=4 5092 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100009816398_100000185155 [0,1,0,0,0,0|3,0,0]=4 5093 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011220946_100011216152 [0,1,0,0,0,0|1,0,2]=4 5094 B11R0.176 C#CCC(=O)CCCCC(C)C 1458a_100011933920_100000184674 [0,1,0,0,0,0|1,0,2]=4 5095 B11R0.176 C=C(Br)CCOCC(=O)OCC 34a_100009813270_100000188475 [0,1,0,0,0,0|1,0,2]=4 5096 B11R0.176 C=C(C)CCNCC(=O)NCC 2230a_100016988866_100000730704 [0,1,0,0,0,0|2,0,1]=4 5097 B11R0.176 C=C(C)CCOCC(=O)NCC 34a_100000764851_100000183381 [0,1,0,0,0,0|2,0,1]=4 5098 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,1,0,0,0,0|1,0,1]=3 5099 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000730704_100000747444 [0,1,0,0,0,0|2,0,1]=4 5100 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000747444_100000730704 [0,1,0,0,0,0|2,0,1]=4 5101 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000183381_100000730704 [0,1,0,0,0,0|2,0,1]=4 5102 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000730704_100000183381 [0,1,0,0,0,0|2,0,1]=4 5103 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,1,0,0,0,0|1,0,1]=3 5104 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,1,0,0,0,0|1,0,1]=3 5105 B11R0.176 C=C(C)CNCCC(=O)NCC 34a_100025743525_100000748629 [0,1,0,0,0,0|2,0,1]=4 5106 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,1,0,0,0,0|1,0,1]=3 5107 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000737597_100000211660 [0,1,0,0,0,0|2,0,1]=4 5108 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000748629_100000737597 [0,1,0,0,0,0|2,0,1]=4 5109 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,1,0,0,0,0|1,0,1]=3 5110 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,1,0,0,0,0|1,0,1]=3 5111 B11R0.176 C=C(C)CSCOC(=O)OCC 62a_100000748629_100000075025 [0,1,0,0,0,0|2,0,1]=4 5112 B11R0.176 C=C(F)COCCC(=O)OCC 34a_200010262243_100000765890 [0,1,0,0,0,0|1,0,2]=4 5113 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000042424_100000765890 [0,1,0,0,0,0|1,0,2]=4 5114 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000765890_100000042424 [0,1,0,0,0,0|1,0,2]=4 5115 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [0,1,0,0,0,0|1,0,2]=4 5116 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [0,1,0,0,0,0|1,0,2]=4 5117 B11R0.176 C=COC(=O)CNCCC(C)O 2230a_200000755665_100000036128 [0,1,0,0,0,0|1,0,2]=4 5118 B11R0.176 C=COC(=O)COCCC(C)Br 34a_100009893172_100000036128 [0,1,0,0,0,0|1,0,2]=4 5119 B11R0.176 C=COC(=O)COCCC(C)C 34a_100000210254_100000036128 [0,1,0,0,0,0|1,0,2]=4 5120 B11R0.176 C=COC(=O)COCC[C@@H](C)N 34a_100000706166_100000036128 [0,1,0,0,0,0|1,0,2]=4 5121 B11R0.176 C=COC(=O)CSCCC(C)C 62a_100000036128_100000210312 [0,1,0,0,0,0|1,0,2]=4 5122 B11R0.176 C=COC(=O)CSCCC(C)C 62a_100000210312_100000036128 [0,1,0,0,0,0|1,0,2]=4 5123 B11R0.176 C=COC(=O)CSCCC(C)O 62a_100000036128_100012276601 [0,1,0,0,0,0|1,0,2]=4 5124 B11R0.176 C=COC(=O)CSCCC(C)O 62a_100012276601_100000036128 [0,1,0,0,0,0|1,0,2]=4 5125 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,1,0,0,0,0|1,0,2]=4 5126 B11R0.176 CC#CC(=O)CCCCC(C)C 1458a_100000763181_100011216152 [0,1,0,0,0,0|1,0,1]=3 5127 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,1,0,0,0,0|2,0,1]=4 5128 B11R0.176 CC(Br)CCOCC(=O)NCO 34a_100009893172_100000185155 [0,1,0,0,0,0|3,0,0]=4 5129 B11R0.176 CC(C)CCCCC(=O)C=CBr 1458a_100016273825_100011216152 [0,1,0,0,0,0|2,0,1]=4 5130 B11R0.176 CC(C)CCCCC(=O)C=CCl 1458a_200016279998_100011216152 [0,1,0,0,0,0|2,0,1]=4 5131 B11R0.176 CC(C)CCCCC(=O)C=CI 1458a_100016256311_100011216152 [0,1,0,0,0,0|2,0,1]=4 5132 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100011933920_100011214920 [0,1,0,0,0,0|2,0,1]=4 5133 B11R0.176 CC(C)CCCCC(=O)CC#N 1458a_100051588842_100011216152 [0,1,0,0,0,0|2,0,1]=4 5134 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,1,0,0,0,0|2,0,0]=3 5135 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,1,0,0,0,0|2,0,0]=3 5136 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,1,0,0,0,0|2,0,0]=3 5137 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,1,0,0,0,0|3,0,0]=4 5138 B11R0.176 CC(C)CCOCC(=O)NCO 34a_100000210254_100000185155 [0,1,0,0,0,0|3,0,0]=4 5139 B11R0.176 CC(C)CCOCC(=O)NCO 7a_100000210254_100000185155 [0,1,0,0,0,0|3,0,0]=4 5140 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000185155_100000210312 [0,1,0,0,0,0|3,0,0]=4 5141 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000210312_100000185155 [0,1,0,0,0,0|3,0,0]=4 5142 B11R0.176 CC(O)CCNCC(=O)NCO 2230a_200000755665_100000185155 [0,1,0,0,0,0|3,0,0]=4 5143 B11R0.176 CC(O)CCSCC(=O)NCO 62a_100000185155_100012276601 [0,1,0,0,0,0|3,0,0]=4 5144 B11R0.176 CC(O)CCSCC(=O)NCO 62a_100012276601_100000185155 [0,1,0,0,0,0|3,0,0]=4 5145 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,1,0,0,0,0|1,0,2]=4 5146 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [0,1,0,0,0,0|1,0,1]=3 5147 B11R0.176 CC=CC(=O)NCCCC(C)C 11a_200000737386_100000210699 [0,1,0,0,0,0|2,0,1]=4 5148 B11R0.176 CC=CC(=O)NCCCC(C)C 1626a_200000737386_100000210699 [0,1,0,0,0,0|2,0,1]=4 5149 B11R0.176 CC=CC(=O)NCCCC(C)C 240690a_200000737386_100000210699 [0,1,0,0,0,0|2,0,1]=4 5150 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,1,0,0,0,0|3,0,0]=4 5151 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,1,0,0,0,0|1,0,1]=3 5152 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,1,0,0,0,0|1,0,0]=2 5153 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,1,0,0,0,0|1,0,0]=2 5154 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,1,0,0,0,0|2,0,1]=4 5155 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,1,0,0,0,0|2,0,1]=4 5156 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,1,0,0,0,0|2,0,1]=4 5157 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,1,0,0,0,0|2,0,1]=4 5158 B11R0.176 CCCC(=O)CCOCC(F)F 1458a_100000211992_200012177212 [0,1,0,0,0,0|3,0,0]=4 5159 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,1,0,0,0,0|2,0,0]=3 5160 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,1,0,0,0,0|2,0,1]=4 5161 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,1,0,0,0,0|2,0,0]=3 5162 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,1,0,0,0,0|2,0,1]=4 5163 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,1,0,0,0,0|2,0,1]=4 5164 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,1,0,0,0,0|2,0,0]=3 5165 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,1,0,0,0,0|2,0,0]=3 5166 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,1,0,0,0,0|2,0,0]=3 5167 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,1,0,0,0,0|2,0,0]=3 5168 B11R0.176 CCCC(=O)CSCCN(C)C 62a_100000747444_100000755713 [0,1,0,0,0,0|3,0,0]=4 5169 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000709892_100000747444 [0,1,0,0,0,0|3,0,0]=4 5170 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000747444_100000709892 [0,1,0,0,0,0|3,0,0]=4 5171 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,1,0,0,0,0|2,0,0]=3 5172 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,1,0,0,0,0|2,0,0]=3 5173 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,1,0,0,0,0|2,0,0]=3 5174 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,1,0,0,0,0|2,0,0]=3 5175 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,1,0,0,0,0|3,0,0]=4 5176 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,1,0,0,0,0|3,0,0]=4 5177 B11R0.176 CCCC(=O)NCCCS(=O)C 11a_200000753449_100000211992 [0,1,0,0,0,0|3,0,0]=4 5178 B11R0.176 CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211992 [0,1,0,0,0,0|3,0,0]=4 5179 B11R0.176 CCCC(=O)NCCCS(=O)C 527a_200000753449_100000211992 [0,1,0,0,0,0|3,0,0]=4 5180 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [0,1,0,0,0,0|3,0,0]=4 5181 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [0,1,0,0,0,0|3,0,0]=4 5182 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [0,1,0,0,0,0|3,0,0]=4 5183 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [0,1,0,0,0,0|3,0,0]=4 5184 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [0,1,0,0,0,0|3,0,0]=4 5185 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [0,1,0,0,0,0|3,0,0]=4 5186 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [0,1,0,0,0,0|3,0,0]=4 5187 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [0,1,0,0,0,0|3,0,0]=4 5188 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,1,0,0,0,0|3,0,0]=4 5189 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,1,0,0,0,0|3,0,0]=4 5190 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,1,0,0,0,0|3,0,0]=4 5191 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,1,0,0,0,0|3,0,0]=4 5192 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,1,0,0,0,0|3,0,0]=4 5193 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,1,0,0,0,0|3,0,0]=4 5194 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,1,0,0,0,0|3,0,0]=4 5195 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,1,0,0,0,0|3,0,0]=4 5196 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,1,0,0,0,0|3,0,0]=4 5197 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,1,0,0,0,0|3,0,0]=4 5198 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,1,0,0,0,0|3,0,0]=4 5199 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,1,0,0,0,0|3,0,0]=4 5200 B11R0.176 CCCN(C)CCCCC(C)C 2230a_100000747261_100011216152 [0,1,0,0,0,0|3,0,0]=4 5201 B11R0.176 CCCN(C)CCCCC(C)C 269982a_100000747261_100011216152 [0,1,0,0,0,0|3,0,0]=4 5202 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,1,0,0,0,0|1,0,0]=2 5203 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,1,0,0,0,0|1,0,0]=2 5204 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,1,0,0,0,0|1,0,0]=2 5205 B11R0.176 CCNC(=O)CCCCN(C)C 11a_100015525214_100000751710 [0,1,0,0,0,0|2,0,0]=3 5206 B11R0.176 CCNC(=O)CCCCN(C)C 240690a_100015525214_100000751710 [0,1,0,0,0,0|2,0,0]=3 5207 B11R0.176 CCNC(=O)CCCCN(C)C 527a_100015525214_100000751710 [0,1,0,0,0,0|2,0,0]=3 5208 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,1,0,0,0,0|2,0,1]=4 5209 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,1,0,0,0,0|2,0,1]=4 5210 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,1,0,0,0,0|2,0,1]=4 5211 B11R0.176 CCNC(=O)CCNCC(C)C 2230a_100000210953_100000737597 [0,1,0,0,0,0|2,0,0]=3 5212 B11R0.176 CCNC(=O)CCNCC(C)C 270004a_100025743525_100000210432 [0,1,0,0,0,0|2,0,0]=3 5213 B11R0.176 CCNC(=O)CCNCC(C)C 34a_100025743525_100000210624 [0,1,0,0,0,0|2,0,0]=3 5214 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,1,0,0,0,0|2,0,0]=3 5215 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,1,0,0,0,0|2,0,0]=3 5216 B11R0.176 CCNC(=O)CCNCC(F)F 34a_100025743525_100011934356 [0,1,0,0,0,0|3,0,0]=4 5217 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,1,0,0,0,0|2,0,0]=3 5218 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000210624_100000737597 [0,1,0,0,0,0|2,0,0]=3 5219 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000737597_100000210760 [0,1,0,0,0,0|2,0,0]=3 5220 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,1,0,0,0,0|2,0,0]=3 5221 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,1,0,0,0,0|2,0,0]=3 5222 B11R0.176 CCNC(=O)CCSCC(F)F 62a_100000737597_100011934356 [0,1,0,0,0,0|3,0,0]=4 5223 B11R0.176 CCNC(=O)CCSCC(F)F 62a_100011934356_100000737597 [0,1,0,0,0,0|3,0,0]=4 5224 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,1,0,0,0,0|2,0,0]=3 5225 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,1,0,0,0,0|2,0,0]=3 5226 B11R0.176 CCNC(=O)CNCCC(C)C 2230a_100016988866_100000210312 [0,1,0,0,0,0|2,0,0]=3 5227 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,1,0,0,0,0|2,0,0]=3 5228 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,1,0,0,0,0|2,0,0]=3 5229 B11R0.176 CCNC(=O)CNCOC(C)C 2230a_100016988866_100000709892 [0,1,0,0,0,0|3,0,0]=4 5230 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,1,0,0,0,0|2,0,1]=4 5231 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,1,0,0,0,0|2,0,1]=4 5232 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [0,1,0,0,0,0|2,0,0]=3 5233 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [0,1,0,0,0,0|2,0,0]=3 5234 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [0,1,0,0,0,0|2,0,0]=3 5235 B11R0.176 CCNC(=O)COCCC(F)F 34a_100103093639_100000183381 [0,1,0,0,0,0|3,0,0]=4 5236 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [0,1,0,0,0,0|2,0,0]=3 5237 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,1,0,0,0,0|2,0,1]=4 5238 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,1,0,0,0,0|2,0,1]=4 5239 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000183381_100000210312 [0,1,0,0,0,0|2,0,0]=3 5240 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000210312_100000183381 [0,1,0,0,0,0|2,0,0]=3 5241 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,1,0,0,0,0|2,0,0]=3 5242 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,1,0,0,0,0|2,0,0]=3 5243 B11R0.176 CCNC(=O)CSCCN(C)C 62a_100000183381_100000755713 [0,1,0,0,0,0|3,0,0]=4 5244 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000183381_100000709892 [0,1,0,0,0,0|3,0,0]=4 5245 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000709892_100000183381 [0,1,0,0,0,0|3,0,0]=4 5246 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [0,1,0,0,0,0|2,0,0]=3 5247 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [0,1,0,0,0,0|2,0,0]=3 5248 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [0,1,0,0,0,0|2,0,0]=3 5249 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [0,1,0,0,0,0|2,0,0]=3 5250 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [0,1,0,0,0,0|2,0,0]=3 5251 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [0,1,0,0,0,0|2,0,0]=3 5252 B11R0.176 CCNC(=O)NCCCN(C)C 2708a_100015525214_102531767803 [0,1,0,0,0,0|3,0,0]=4 5253 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_100015525214_102531767803 [0,1,0,0,0,0|3,0,0]=4 5254 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_102531767803_100015525214 [0,1,0,0,0,0|3,0,0]=4 5255 B11R0.176 CCNC(=O)NCCCN(C)C 512a_100015525214_102531767803 [0,1,0,0,0,0|3,0,0]=4 5256 B11R0.176 CCNC(=O)NCCCN(C)C 512a_102531767803_100015525214 [0,1,0,0,0,0|3,0,0]=4 5257 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_100015525214_200000753449 [0,1,0,0,0,0|3,0,0]=4 5258 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_200000753449_100015525214 [0,1,0,0,0,0|3,0,0]=4 5259 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_100015525214_200000753449 [0,1,0,0,0,0|3,0,0]=4 5260 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_200000753449_100015525214 [0,1,0,0,0,0|3,0,0]=4 5261 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_100015525214_200000753449 [0,1,0,0,0,0|3,0,0]=4 5262 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_200000753449_100015525214 [0,1,0,0,0,0|3,0,0]=4 5263 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100000701111_100015525214 [0,1,0,0,0,0|3,0,0]=4 5264 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100015525214_100000701111 [0,1,0,0,0,0|3,0,0]=4 5265 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100000701111_100015525214 [0,1,0,0,0,0|3,0,0]=4 5266 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100015525214_100000701111 [0,1,0,0,0,0|3,0,0]=4 5267 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100000701111_100015525214 [0,1,0,0,0,0|3,0,0]=4 5268 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100015525214_100000701111 [0,1,0,0,0,0|3,0,0]=4 5269 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100000731138_100015525214 [0,1,0,0,0,0|3,0,0]=4 5270 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100015525214_100000731138 [0,1,0,0,0,0|3,0,0]=4 5271 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100000731138_100015525214 [0,1,0,0,0,0|3,0,0]=4 5272 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100015525214_100000731138 [0,1,0,0,0,0|3,0,0]=4 5273 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100000731138_100015525214 [0,1,0,0,0,0|3,0,0]=4 5274 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100015525214_100000731138 [0,1,0,0,0,0|3,0,0]=4 5275 B11R0.176 CCOC(=O)/C=C/CNC(C)C 2230a_100138425928_100016267167 [0,1,0,0,0,0|1,0,2]=4 5276 B11R0.176 CCOC(=O)/C=C/CNC(C)C 34a_100138425928_100016267167 [0,1,0,0,0,0|1,0,2]=4 5277 B11R0.176 CCOC(=O)/C=C/COC(C)C 34a_100000212225_100016267167 [0,1,0,0,0,0|1,0,2]=4 5278 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100000210206_100016267167 [0,1,0,0,0,0|1,0,2]=4 5279 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100016267167_100000210206 [0,1,0,0,0,0|1,0,2]=4 5280 B11R0.176 CCOC(=O)C=NNCC(C)O 4a_200000730056_100000742314 [0,1,0,0,0,0|2,0,1]=4 5281 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,1,0,0,0,0|0,0,1]=2 5282 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,1,0,0,0,0|0,0,1]=2 5283 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,1,0,0,0,0|0,0,1]=2 5284 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,1,0,0,0,0|1,0,0]=2 5285 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,1,0,0,0,0|1,0,0]=2 5286 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,1,0,0,0,0|1,0,1]=3 5287 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,1,0,0,0,0|1,0,0]=2 5288 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,1,0,0,0,0|1,0,0]=2 5289 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,1,0,0,0,0|1,0,0]=2 5290 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,1,0,0,0,0|1,0,0]=2 5291 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,1,0,0,0,0|1,0,0]=2 5292 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,1,0,0,0,0|1,0,0]=2 5293 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [0,1,0,0,0,0|2,0,1]=4 5294 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,1,0,0,0,0|2,0,1]=4 5295 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,1,0,0,0,0|1,0,0]=2 5296 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,1,0,0,0,0|1,0,0]=2 5297 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,1,0,0,0,0|1,0,0]=2 5298 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,1,0,0,0,0|1,0,0]=2 5299 B11R0.176 CCOC(=O)CCNCC(F)F 34a_100000765723_100000765890 [0,1,0,0,0,0|2,0,0]=3 5300 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,1,0,0,0,0|1,0,1]=3 5301 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,1,0,0,0,0|1,0,0]=2 5302 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,1,0,0,0,0|1,0,0]=2 5303 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,1,0,0,0,0|1,0,0]=2 5304 B11R0.176 CCOC(=O)CCOCC(F)F 34a_100000743014_100000765890 [0,1,0,0,0,0|2,0,0]=3 5305 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,1,0,0,0,0|1,0,0]=2 5306 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,1,0,0,0,0|1,0,0]=2 5307 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [0,1,0,0,0,0|2,0,1]=4 5308 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [0,1,0,0,0,0|2,0,1]=4 5309 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [0,1,0,0,0,0|2,0,1]=4 5310 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [0,1,0,0,0,0|2,0,1]=4 5311 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,1,0,0,0,0|1,0,0]=2 5312 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,1,0,0,0,0|1,0,0]=2 5313 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,1,0,0,0,0|1,0,0]=2 5314 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,1,0,0,0,0|1,0,0]=2 5315 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100000765890_100011934356 [0,1,0,0,0,0|2,0,0]=3 5316 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100011934356_100000765890 [0,1,0,0,0,0|2,0,0]=3 5317 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,1,0,0,0,0|1,0,0]=2 5318 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,1,0,0,0,0|1,0,0]=2 5319 B11R0.176 CCOC(=O)CCSC[N+](=O)[O-] 62a_100000765890_100000761209 [0,1,0,0,0,0|3,0,0]=4 5320 B11R0.176 CCOC(=O)CNCC=C(C)C 34a_100000718196_100000188475 [0,1,0,0,0,0|1,0,2]=4 5321 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,1,0,0,0,0|1,0,0]=2 5322 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,1,0,0,0,0|1,0,2]=4 5323 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,1,0,0,0,0|1,0,1]=3 5324 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,1,0,0,0,0|1,0,1]=3 5325 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,1,0,0,0,0|1,0,1]=3 5326 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [0,1,0,0,0,0|2,0,1]=4 5327 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [0,1,0,0,0,0|2,0,1]=4 5328 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,1,0,0,0,0|1,0,0]=2 5329 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,1,0,0,0,0|1,0,0]=2 5330 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,1,0,0,0,0|1,0,0]=2 5331 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [0,1,0,0,0,0|2,0,0]=3 5332 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,1,0,0,0,0|2,0,0]=3 5333 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,1,0,0,0,0|2,0,0]=3 5334 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,1,0,0,0,0|1,0,0]=2 5335 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000188475_100000761012 [0,1,0,0,0,0|1,0,2]=4 5336 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000761012_100000188475 [0,1,0,0,0,0|1,0,2]=4 5337 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,1,0,0,0,0|1,0,1]=3 5338 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,1,0,0,0,0|1,0,1]=3 5339 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [0,1,0,0,0,0|2,0,1]=4 5340 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [0,1,0,0,0,0|2,0,1]=4 5341 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,1,0,0,0,0|1,0,0]=2 5342 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,1,0,0,0,0|1,0,0]=2 5343 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,1,0,0,0,0|1,0,0]=2 5344 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,1,0,0,0,0|1,0,0]=2 5345 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,1,0,0,0,0|2,0,0]=3 5346 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,1,0,0,0,0|2,0,1]=4 5347 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,1,0,0,0,0|2,0,1]=4 5348 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [0,1,0,0,0,0|2,0,0]=3 5349 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [0,1,0,0,0,0|2,0,0]=3 5350 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,1,0,0,0,0|2,0,0]=3 5351 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,1,0,0,0,0|2,0,0]=3 5352 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,1,0,0,0,0|2,0,0]=3 5353 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,1,0,0,0,0|2,0,0]=3 5354 B11R0.176 CCOC(=O)OCSCC(F)F 62a_100011934356_100000075025 [0,1,0,0,0,0|3,0,0]=4 5355 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,1,0,0,0,0|2,0,0]=3 5356 B11R0.176 CNNC(=O)CCCCC(C)C 22a_100016993582_100011933920 [0,1,0,0,0,0|2,0,0]=3 5357 B11R0.176 CNNC(=O)CCCCN(C)C 22a_100016993582_100000751710 [0,1,0,0,0,0|3,0,0]=4 5358 B11R0.176 CNNC(=O)NCCCC(C)C 273464a_200000737386_100016993582 [0,1,0,0,0,0|3,0,0]=4 5359 B11R0.176 CNNC(=O)NCCCC(C)C 512a_100016993582_200000737386 [0,1,0,0,0,0|3,0,0]=4 5360 B11R0.176 CNNC(=O)NCCCC(C)C 512a_200000737386_100016993582 [0,1,0,0,0,0|3,0,0]=4 5361 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,1,0,0,0,0|2,0,1]=4 5362 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,1,0,0,0,0|2,0,0]=3 5363 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [0,1,0,0,0,0|3,0,0]=4 5364 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [0,1,0,0,0,0|3,0,0]=4 5365 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [0,1,0,0,0,0|3,0,0]=4 5366 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [0,1,0,0,0,0|3,0,0]=4 5367 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,1,0,0,0,0|2,0,1]=4 5368 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,1,0,0,0,0|2,0,0]=3 5369 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [0,1,0,0,0,0|3,0,0]=4 5370 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [0,1,0,0,0,0|3,0,0]=4 5371 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [0,1,0,0,0,0|3,0,0]=4 5372 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [0,1,0,0,0,0|3,0,0]=4 5373 B11R0.176 C[C@@H](N)CCOCC(=O)NCO 34a_100000706166_100000185155 [0,1,0,0,0,0|3,0,0]=4 5374 B11R0.304 CCCCCCC(C)(C)OCC 7a_200011995690_100000210202 [0,1,0,0,0,0|1,0,1]=3 5375 B11R0.304 CCCCCCC(C)(C)OCF 7a_200011995690_100015361967 [0,1,0,0,0,0|2,0,1]=4 5376 B11R0.304 CCCCCCS(=O)(=O)NCC 270084a_100015525214_100011361803 [0,1,0,0,0,0|2,0,0]=3 5377 B11R0.304 CCCCCCS(=O)(=O)NCC 274078a_100015525214_100011361803 [0,1,0,0,0,0|2,0,0]=3 5378 B11R0.304 CCCCCNS(=O)(=O)CCC 270084a_100000209983_100000211391 [0,1,0,0,0,0|3,0,0]=4 5379 B11R0.304 CCCCCNS(=O)(=O)CCC 274078a_100000209983_100000211391 [0,1,0,0,0,0|3,0,0]=4 5380 B11R0.304 CCCCCNS(=O)(=O)CCC 40a_100000209983_100000054278 [0,1,0,0,0,0|3,0,0]=4 5381 B11R0.304 CCCCSC[Si](C)(C)OCC 62a_100000210211_200000065227 [0,1,0,0,0,0|2,1,0]=4 5382 B11R0.304 CCCCSC[Si](C)(C)OCC 62a_200000065227_100000210210 [0,1,0,0,0,0|2,1,0]=4 5383 B11R0.304 CCNCCC[Si](C)(C)OCC 2230a_100015525214_100000070546 [0,1,0,0,0,0|2,1,0]=4 5384 B11R0.304 CCOC(C)(C)CCCCCBr 7a_100010402123_100000210202 [0,1,0,0,0,0|2,0,1]=4 5385 B11R0.304 CCOCCC[Si](C)(C)OCC 34a_100121572206_100000070546 [0,1,0,0,0,0|2,1,0]=4 5386 B11R0.304 CCO[Si](C)(C)CCCSCC 62a_100000070546_100000210202 [0,1,0,0,0,0|2,1,0]=4 5387 B11R0.304 CCO[Si](C)(C)CCCSCC 62a_100000210202_100000070546 [0,1,0,0,0,0|2,1,0]=4 5388 B11R1.4 CCCCCCN1CCCC1 2230a_100000188435_100000210314 [0,0,0,1,0,0|3,0,0]=4 5389 B11R1.4 CCCCCCN1CCCC1 269982a_100000188435_100000210757 [0,0,0,1,0,0|3,0,0]=4 5390 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,0,0,1,0,0|2,0,1]=4 5391 B11R1.4 CCCCNCC1=NCCN1 7a_106832991798_100000737910 [0,0,0,1,0,0|3,0,0]=4 5392 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,0,0,1,0,0|2,0,1]=4 5393 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,0,0,1,0,0|2,0,1]=4 5394 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [0,0,0,1,0,0|1,0,2]=4 5395 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [0,0,0,1,0,0|1,0,2]=4 5396 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [0,0,0,1,0,0|1,0,2]=4 5397 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [0,0,0,1,0,0|1,0,2]=4 5398 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,0,0,1,0,0|2,0,1]=4 5399 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,0,0,1,0,0|2,0,1]=4 5400 B11R1.4 CCCCOCC1=NCCN1 34a_100000210227_100000737910 [0,0,0,1,0,0|3,0,0]=4 5401 B11R1.4 CCCCOCC1=NCCN1 7a_100000210227_100000737910 [0,0,0,1,0,0|3,0,0]=4 5402 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,0,0,1,0,0|2,0,1]=4 5403 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,0,0,1,0,0|2,0,1]=4 5404 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,0,0,1,0,0|2,0,1]=4 5405 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [0,0,0,1,0,0|1,0,2]=4 5406 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [0,0,0,1,0,0|1,0,2]=4 5407 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [0,0,0,1,0,0|1,0,2]=4 5408 B11R1.4 CCCCSCC1=NCCN1 62a_100000210211_100000737910 [0,0,0,1,0,0|3,0,0]=4 5409 B11R1.4 CCCCSCC1=NCCN1 62a_100000737910_100000210210 [0,0,0,1,0,0|3,0,0]=4 5410 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,0,0,1,0,0|2,0,1]=4 5411 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,0,0,1,0,0|2,0,1]=4 5412 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [0,0,0,1,0,0|1,0,2]=4 5413 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [0,0,0,1,0,0|1,0,2]=4 5414 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [0,0,0,1,0,0|1,0,2]=4 5415 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [0,0,0,1,0,0|1,0,2]=4 5416 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [0,0,0,1,0,0|1,0,2]=4 5417 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [0,0,0,1,0,0|1,0,2]=4 5418 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [0,0,0,1,0,0|1,0,2]=4 5419 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [0,0,0,1,0,0|1,0,2]=4 5420 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [0,0,0,1,0,0|1,0,2]=4 5421 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [0,0,0,1,0,0|1,0,2]=4 5422 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [0,0,0,1,0,0|1,0,2]=4 5423 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [0,0,0,1,0,0|1,0,2]=4 5424 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [0,0,0,1,0,0|1,0,2]=4 5425 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [0,0,0,1,0,0|1,0,2]=4 5426 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [0,0,0,1,0,0|1,0,2]=4 5427 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [0,0,0,1,0,0|1,0,2]=4 5428 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [0,0,0,1,0,0|1,0,2]=4 5429 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100000210647_100000184674 [0,0,0,1,0,0|1,0,2]=4 5430 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100011220946_100000210327 [0,0,0,1,0,0|1,0,2]=4 5431 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [0,0,0,1,0,0|1,0,2]=4 5432 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [0,0,0,1,0,0|1,0,2]=4 5433 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [0,0,0,1,0,0|1,0,1]=3 5434 B11R1.16 CC#CC(=O)C1CCCOC1 1458a_100000763181_100000693364 [0,0,0,1,0,0|2,0,1]=4 5435 B11R1.16 CC#CC(=O)C1CCOCC1 1458a_100000763181_100011324220 [0,0,0,1,0,0|2,0,1]=4 5436 B11R1.16 CC(OCF)C1CCCCC1 34a_100011216961_100015361967 [0,0,0,1,0,0|2,0,1]=4 5437 B11R1.16 CC(OCF)C1CCCCC1 7a_100011216961_100015361967 [0,0,0,1,0,0|2,0,1]=4 5438 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,0,0,1,0,0|1,0,1]=3 5439 B11R1.16 CC=CC(=O)C1CCCOC1 1458a_100000210699_100000693364 [0,0,0,1,0,0|2,0,1]=4 5440 B11R1.16 CC=CC(=O)C1CCOCC1 1458a_100000210699_100011324220 [0,0,0,1,0,0|2,0,1]=4 5441 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,0,0,1,0,0|1,0,2]=4 5442 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,0,0,1,0,0|1,0,2]=4 5443 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,0,0,1,0,0|1,0,0]=2 5444 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,0,0,1,0,0|1,0,0]=2 5445 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,0,0,1,0,0|2,0,0]=3 5446 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,0,0,1,0,0|2,0,0]=3 5447 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,0,0,1,0,0|2,0,0]=3 5448 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,0,0,1,0,0|2,0,0]=3 5449 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,0,0,1,0,0|2,0,0]=3 5450 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,0,0,1,0,0|2,0,0]=3 5451 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,0,0,1,0,0|3,0,0]=4 5452 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,0,0,1,0,0|3,0,0]=4 5453 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,0,0,1,0,0|3,0,0]=4 5454 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,0,0,1,0,0|3,0,0]=4 5455 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,0,0,1,0,0|3,0,0]=4 5456 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,0,0,1,0,0|3,0,0]=4 5457 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,0,0,1,0,0|3,0,0]=4 5458 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,0,0,1,0,0|3,0,0]=4 5459 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,0,0,1,0,0|3,0,0]=4 5460 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,0,0,1,0,0|3,0,0]=4 5461 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,0,0,1,0,0|3,0,0]=4 5462 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,0,0,1,0,0|1,0,2]=4 5463 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000207522_100000210303 [0,0,0,1,0,0|3,0,0]=4 5464 B11R1.16 CCCN(C)C1CCCCC1 2230a_100000750343_200000210301 [0,0,0,1,0,0|3,0,0]=4 5465 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000207522_100000210303 [0,0,0,1,0,0|3,0,0]=4 5466 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000747261_100000210327 [0,0,0,1,0,0|3,0,0]=4 5467 B11R1.16 CCCN(C)C1CCCCC1 269982a_100000750343_200000210301 [0,0,0,1,0,0|3,0,0]=4 5468 B11R1.16 CCCN(C)C1CCCCC1 270004a_100000747261_100000210434 [0,0,0,1,0,0|3,0,0]=4 5469 B11R1.16 CCCN(C)C1CCCCC1 34a_100000207522_100000210303 [0,0,0,1,0,0|3,0,0]=4 5470 B11R1.16 CCCN(C)C1CCCCC1 34a_100000750343_200000210301 [0,0,0,1,0,0|3,0,0]=4 5471 B11R1.16 CCCN([13CH3])C1CCCCC1 2230a_100000750343_200025704644 [0,0,0,1,0,0|3,0,0]=4 5472 B11R1.16 CCCN([13CH3])C1CCCCC1 269982a_100000750343_200025704644 [0,0,0,1,0,0|3,0,0]=4 5473 B11R1.16 CCCN([13CH3])C1CCCCC1 34a_100000750343_200025704644 [0,0,0,1,0,0|3,0,0]=4 5474 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,0,0,1,0,0|1,0,2]=4 5475 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,0,0,1,0,0|1,0,2]=4 5476 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,0,0,1,0,0|1,0,2]=4 5477 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,0,0,1,0,0|1,0,0]=2 5478 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,0,0,1,0,0|1,0,0]=2 5479 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,0,0,1,0,0|1,0,0]=2 5480 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,0,0,1,0,0|2,0,0]=3 5481 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,0,0,1,0,0|2,0,0]=3 5482 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,0,0,1,0,0|2,0,0]=3 5483 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,0,0,1,0,0|2,0,0]=3 5484 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,0,0,1,0,0|2,0,0]=3 5485 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,0,0,1,0,0|2,0,0]=3 5486 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [0,0,0,1,0,0|2,0,0]=3 5487 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [0,0,0,1,0,0|2,0,0]=3 5488 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [0,0,0,1,0,0|2,0,0]=3 5489 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [0,0,0,1,0,0|2,0,0]=3 5490 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [0,0,0,1,0,0|2,0,0]=3 5491 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [0,0,0,1,0,0|2,0,0]=3 5492 B11R1.16 CCNC(=O)C1COCCO1 11a_100015525214_100000045528 [0,0,0,1,0,0|3,0,0]=4 5493 B11R1.16 CCNC(=O)C1COCCO1 240690a_100015525214_100000045528 [0,0,0,1,0,0|3,0,0]=4 5494 B11R1.16 CCNC(=O)C1COCCO1 527a_100015525214_100000045528 [0,0,0,1,0,0|3,0,0]=4 5495 B11R1.16 CCNC(=O)C1SCCCS1 11a_100015525214_100000028545 [0,0,0,1,0,0|3,0,0]=4 5496 B11R1.16 CCNC(=O)C1SCCCS1 240690a_100015525214_100000028545 [0,0,0,1,0,0|3,0,0]=4 5497 B11R1.16 CCNC(=O)C1SCCCS1 527a_100015525214_100000028545 [0,0,0,1,0,0|3,0,0]=4 5498 B11R1.16 CCNC(=O)N1CCCOC1 2708a_100015525214_100000131196 [0,0,0,1,0,0|3,0,0]=4 5499 B11R1.16 CCNC(=O)N1CCCOC1 273464a_100015525214_100000131196 [0,0,0,1,0,0|3,0,0]=4 5500 B11R1.16 CCNC(=O)N1CCOCC1 2708a_100015525214_100015191051 [0,0,0,1,0,0|3,0,0]=4 5501 B11R1.16 CCNC(=O)N1CCOCC1 273464a_100015525214_100015191051 [0,0,0,1,0,0|3,0,0]=4 5502 B11R1.16 CCNC(=O)N1CCSCC1 2708a_100015525214_100000737611 [0,0,0,1,0,0|3,0,0]=4 5503 B11R1.16 CCNC(=O)N1CCSCC1 273464a_100015525214_100000737611 [0,0,0,1,0,0|3,0,0]=4 5504 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [0,0,0,1,0,0|1,0,2]=4 5505 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [0,0,0,1,0,0|1,0,2]=4 5506 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [0,0,0,1,0,0|1,0,2]=4 5507 B11R1.16 CCNC(C)C1CCCCC1 269862a_100015525214_100000210989 [0,0,0,1,0,0|2,0,1]=4 5508 B11R1.16 CCN[C@H](C)C1CCCCC1 2230a_100025707633_100000210202 [0,0,0,1,0,0|2,0,1]=4 5509 B11R1.16 CCN[C@H](C)C1CCCCC1 34a_100025707633_100000210202 [0,0,0,1,0,0|2,0,1]=4 5510 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,0,0,1,0,0|1,0,1]=3 5511 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,0,0,1,0,0|1,0,1]=3 5512 B11R1.16 CCOC(C)C1CCCNC1 34a_100000740858_100000210202 [0,0,0,1,0,0|2,0,1]=4 5513 B11R1.16 CCOC(C)C1CCNCC1 34a_100011728446_100000210202 [0,0,0,1,0,0|2,0,1]=4 5514 B11R1.16 CCO[C@H](C)C1CCOCC1 34a_100000703848_100000210202 [0,0,0,1,0,0|2,0,1]=4 5515 B11R1.16 CCO[C@H](C)C1CCOCC1 7a_100000703848_100000210202 [0,0,0,1,0,0|2,0,1]=4 5516 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,0,0,1,0,0|2,0,0]=3 5517 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,0,0,1,0,0|2,0,0]=3 5518 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,0,0,1,0,0|2,0,0]=3 5519 B11R1.16 CNCC(=O)C1CCOCC1 2230a_106832991635_100000689883 [0,0,0,1,0,0|3,0,0]=4 5520 B11R1.16 CNCC(=O)C1CCOCC1 34a_100102657272_100000689883 [0,0,0,1,0,0|3,0,0]=4 5521 B11R1.16 CNCC(=O)C1CCOCC1 7a_106832991635_100000689883 [0,0,0,1,0,0|3,0,0]=4 5522 B11R1.16 CNCC(=O)N1CCCCC1 2230a_100000751303_200000210301 [0,0,0,1,0,0|3,0,0]=4 5523 B11R1.16 CNCC(=O)N1CCCCC1 2230a_106832991635_100000183409 [0,0,0,1,0,0|3,0,0]=4 5524 B11R1.16 CNCC(=O)N1CCCCC1 34a_100102657272_100000183409 [0,0,0,1,0,0|3,0,0]=4 5525 B11R1.16 CNCC(=O)N1CCCCC1 7a_106832991635_100000183409 [0,0,0,1,0,0|3,0,0]=4 5526 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [0,0,0,1,0,0|2,0,0]=3 5527 B11R1.16 CNNC(=O)C1CCCCO1 22a_100016993582_100000748299 [0,0,0,1,0,0|3,0,0]=4 5528 B11R1.16 CNNC(=O)C1CCCOC1 22a_100016993582_100000741522 [0,0,0,1,0,0|3,0,0]=4 5529 B11R1.16 CNNC(=O)C1CCOCC1 22a_100016993582_100000195482 [0,0,0,1,0,0|3,0,0]=4 5530 B11R1.16 CNNC(=O)C1CCSCC1 22a_100016993582_100000755232 [0,0,0,1,0,0|3,0,0]=4 5531 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,0,0,1,0,0|2,0,0]=3 5532 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,0,0,1,0,0|2,0,0]=3 5533 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,0,0,1,0,0|3,0,0]=4 5534 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,0,0,1,0,0|3,0,0]=4 5535 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,0,0,1,0,0|3,0,0]=4 5536 B11R1.16 COCC(=O)N1CCCCC1 34a_100138415774_100000183409 [0,0,0,1,0,0|3,0,0]=4 5537 B11R1.16 COCC(=O)N1CCCCC1 7a_100011315646_200000210301 [0,0,0,1,0,0|3,0,0]=4 5538 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,0,0,1,0,0|2,0,0]=3 5539 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,0,0,1,0,0|2,0,0]=3 5540 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,0,0,1,0,0|2,0,0]=3 5541 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,0,0,1,0,0|3,0,0]=4 5542 B11R1.16 CSCC(=O)C1CCOCC1 1458a_100000184570_100011324220 [0,0,0,1,0,0|3,0,0]=4 5543 B11R1.16 CSCC(=O)C1CCOCC1 62a_100000689883_200000210301 [0,0,0,1,0,0|3,0,0]=4 5544 B11R1.16 CSCC(=O)C1CCOCC1 62a_200000210301_100000689883 [0,0,0,1,0,0|3,0,0]=4 5545 B11R1.16 CSCC(=O)N1CCCCC1 62a_100000183409_200000210301 [0,0,0,1,0,0|3,0,0]=4 5546 B11R1.16 CSCC(=O)N1CCCCC1 62a_200000210301_100000183409 [0,0,0,1,0,0|3,0,0]=4 5547 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100000210647_100011214920 [0,0,0,1,0,0|2,0,1]=4 5548 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100051588842_100000210327 [0,0,0,1,0,0|2,0,1]=4 5549 B11R1.16 O=C(C=CBr)C1CCCCC1 1458a_100016273825_100000210327 [0,0,0,1,0,0|2,0,1]=4 5550 B11R1.16 O=C(C=CCl)C1CCCCC1 1458a_200016279998_100000210327 [0,0,0,1,0,0|2,0,1]=4 5551 B11R1.16 O=C(C=CI)C1CCCCC1 1458a_100016256311_100000210327 [0,0,0,1,0,0|2,0,1]=4 5552 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,0,0,1,0,0|2,0,0]=3 5553 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,0,0,1,0,0|3,0,0]=4 5554 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,0,0,1,0,0|3,0,0]=4 5555 B11R1.16 O=C(CCF)C1CCOCC1 1458a_100000195482_100011217306 [0,0,0,1,0,0|3,0,0]=4 5556 B11R1.16 O=C(CCF)C1CCSCC1 1458a_100000755232_100011217306 [0,0,0,1,0,0|3,0,0]=4 5557 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,0,0,1,0,0|2,0,0]=3 5558 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,0,0,1,0,0|2,0,0]=3 5559 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,0,0,1,0,0|3,0,0]=4 5560 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,0,0,1,0,0|3,0,0]=4 5561 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,0,0,1,0,0|3,0,0]=4 5562 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,0,0,1,0,0|3,0,0]=4 5563 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,0,0,1,0,0|3,0,0]=4 5564 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,0,0,1,0,0|3,0,0]=4 5565 B11R1.16 [13CH3]NCC(=O)N1CCCCC1 2230a_100000751303_200025704644 [0,0,0,1,0,0|3,0,0]=4 5566 B11R1.16 [13CH3]OCC(=O)N1CCCCC1 7a_100011315646_200025704644 [0,0,0,1,0,0|3,0,0]=4 5567 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,0,0,1,0,0|2,0,0]=3 5568 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,0,0,1,0,0|2,0,0]=3 5569 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_100000689883_200025704644 [0,0,0,1,0,0|3,0,0]=4 5570 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_200025704644_100000689883 [0,0,0,1,0,0|3,0,0]=4 5571 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_100000183409_200025704644 [0,0,0,1,0,0|3,0,0]=4 5572 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_200025704644_100000183409 [0,0,0,1,0,0|3,0,0]=4 5573 B11R1.24 C#CCCN1CCOC(=O)C1 2230a_100000131268_100000688953 [0,0,0,1,0,0|1,0,2]=4 5574 B11R1.24 C=CCCN1CCOC(=O)C1 2230a_100000131268_100000754431 [0,0,0,1,0,0|1,0,2]=4 5575 B11R1.24 CC#CCN1CCOC(=O)C1 2230a_100000131268_100000748600 [0,0,0,1,0,0|1,0,2]=4 5576 B11R1.24 CC=CCN1CCOC(=O)C1 2230a_100000131268_100000070051 [0,0,0,1,0,0|1,0,2]=4 5577 B11R1.24 CCCCN1CCC=C(C1)C 2230a_100000725631_100000210211 [0,0,0,1,0,0|3,0,0]=4 5578 B11R1.24 CCCCN1CCC=C(C1)C 269982a_100000725631_100000210211 [0,0,0,1,0,0|3,0,0]=4 5579 B11R1.24 CCCCN1CCC=C(C1)C 34a_100000725631_100000210210 [0,0,0,1,0,0|3,0,0]=4 5580 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,0,0,1,0,0|2,0,0]=3 5581 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,0,0,1,0,0|1,0,0]=2 5582 B11R1.24 CCCCN1CCOC(C1)C 2230a_100000729577_100000210211 [0,0,0,1,0,0|2,0,1]=4 5583 B11R1.24 CCCCN1CCOC(C1)C 269982a_100000729577_100000210211 [0,0,0,1,0,0|2,0,1]=4 5584 B11R1.24 CCCCN1CCOC(C1)C 34a_100000729577_100000210210 [0,0,0,1,0,0|2,0,1]=4 5585 B11R1.24 CCCCN1CCOC(C1)O 2230a_100000688207_100000210211 [0,0,0,1,0,0|1,0,2]=4 5586 B11R1.24 CCCCN1CCOC(C1)O 269982a_100000688207_100000210211 [0,0,0,1,0,0|1,0,2]=4 5587 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,0,0,1,0,0|2,0,0]=3 5588 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,0,0,1,0,0|2,0,0]=3 5589 B11R1.24 CCCNC1CCOC(C1)C 270004a_100020643023_100000755752 [0,0,0,1,0,0|2,0,1]=4 5590 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,0,1,0,0|2,0,0]=3 5591 B11R1.24 CCCOC1CCOC(C1)C 34a_100011986385_100000210303 [0,0,0,1,0,0|2,0,1]=4 5592 B11R1.24 CCCOC1CCOC(C1)C 7a_100011986385_100000210303 [0,0,0,1,0,0|2,0,1]=4 5593 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,0,0,1,0,0|2,0,0]=3 5594 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,0,0,1,0,0|3,0,0]=4 5595 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,0,0,1,0,0|2,0,0]=3 5596 B11R1.24 COCCN1CCNC(=O)C1 2230a_100000184651_100011201679 [0,0,0,1,0,0|3,0,0]=4 5597 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,0,0,1,0,0|2,0,0]=3 5598 B11R1.24 COCNC1CCNC(=O)C1 2230a_100016994916_100000766300 [0,0,0,1,0,0|3,0,0]=4 5599 B11R1.24 CSCCN1CCNC(=O)C1 2230a_100000184651_100000751147 [0,0,0,1,0,0|3,0,0]=4 5600 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,0,0,1,0,0|2,0,0]=3 5601 B11R1.24 CSCNC1CCNC(=O)C1 2230a_100016994916_100011218213 [0,0,0,1,0,0|3,0,0]=4 5602 B11R1.24 CSCNC1CCNC(=O)C1 34a_100016994916_100011218213 [0,0,0,1,0,0|3,0,0]=4 5603 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,0,0,1,0,0|3,0,0]=4 5604 B11R1.24 CSCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218213 [0,0,0,1,0,0|3,0,0]=4 5605 B11R1.24 N#CCCN1CCOC(=O)C1 2230a_100000131268_100011215226 [0,0,0,1,0,0|2,0,1]=4 5606 B11R1.24 O=C1CC(CCN1)COCF 34a_100009886756_100015361967 [0,0,0,1,0,0|3,0,0]=4 5607 B11R1.24 O=C1CC(CCN1)NCCF 2230a_100016994916_100011217306 [0,0,0,1,0,0|3,0,0]=4 5608 B11R1.24 O=C1CC(CCN1)NCCF 34a_100016994916_100011217306 [0,0,0,1,0,0|3,0,0]=4 5609 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,0,0,1,0,0|3,0,0]=4 5610 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,0,0,1,0,0|3,0,0]=4 5611 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,0,0,1,0,0|3,0,0]=4 5612 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,0,0,1,0,0|3,0,0]=4 5613 B11R1.24 O=C1CN(CCN1)CCCF 2230a_100000184651_100011934791 [0,0,0,1,0,0|3,0,0]=4 5614 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,0,0,1,0,0|3,0,0]=4 5615 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,0,0,1,0,0|2,0,0]=3 5616 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,0,0,1,0,0|2,0,0]=3 5617 B11R1.24 O=C1C[C@@H](CCN1)OCCF 34a_100015189427_100011217306 [0,0,0,1,0,0|3,0,0]=4 5618 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,0,0,1,0,0|3,0,0]=4 5619 B11R1.30 C#CCC(=O)CC1CCCC1 1458a_100000210891_100000184674 [0,0,0,1,0,0|1,0,2]=4 5620 B11R1.30 C#CCC(=O)CC1CCCC1 1458a_100011220946_100000740388 [0,0,0,1,0,0|1,0,2]=4 5621 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210193_100000740388 [0,0,0,1,0,0|1,0,2]=4 5622 B11R1.30 C=CCC(=O)CC1CCCC1 1458a_100000210891_100000210623 [0,0,0,1,0,0|1,0,2]=4 5623 B11R1.30 C=COC(=O)CN1CCCC1 2230a_100000188435_100000036128 [0,0,0,1,0,0|1,0,2]=4 5624 B11R1.30 C=COC(=O)CN1CCCC1 269982a_100000188435_100000036128 [0,0,0,1,0,0|1,0,2]=4 5625 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [0,0,0,1,0,0|1,0,1]=3 5626 B11R1.30 CC#CC(=O)CC1CCCO1 1458a_100000763181_100000203698 [0,0,0,1,0,0|2,0,1]=4 5627 B11R1.30 CC#CC(=O)CC1CCOC1 1458a_100000763181_100000702531 [0,0,0,1,0,0|2,0,1]=4 5628 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,0,0,1,0,0|1,0,1]=3 5629 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [0,0,0,1,0,0|2,0,1]=4 5630 B11R1.30 CC=CC(=O)CC1CCOC1 1458a_100000210699_100000702531 [0,0,0,1,0,0|2,0,1]=4 5631 B11R1.30 CC=CC(=O)NC1CCCC1 11a_100000211070_100000210699 [0,0,0,1,0,0|2,0,1]=4 5632 B11R1.30 CC=CC(=O)NC1CCCC1 1626a_100000211070_100000210699 [0,0,0,1,0,0|2,0,1]=4 5633 B11R1.30 CC=CC(=O)NC1CCCC1 240690a_100000211070_100000210699 [0,0,0,1,0,0|2,0,1]=4 5634 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,0,0,1,0,0|1,0,2]=4 5635 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,0,0,1,0,0|1,0,2]=4 5636 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,0,0,1,0,0|1,0,2]=4 5637 B11R1.30 CCCC(=O)CC1CC=CC1 1458a_200000137526_100000210303 [0,0,0,1,0,0|1,0,2]=4 5638 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,0,0,1,0,0|1,0,0]=2 5639 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,0,0,1,0,0|1,0,0]=2 5640 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,0,0,1,0,0|2,0,0]=3 5641 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,0,0,1,0,0|2,0,0]=3 5642 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,0,0,1,0,0|2,0,0]=3 5643 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,0,0,1,0,0|3,0,0]=4 5644 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,0,0,1,0,0|2,0,0]=3 5645 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,0,0,1,0,0|2,0,0]=3 5646 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,0,0,1,0,0|2,0,0]=3 5647 B11R1.30 CCCC(=O)CN1CCSC1 2230a_100011215254_100000747444 [0,0,0,1,0,0|3,0,0]=4 5648 B11R1.30 CCCC(=O)CN1CCSC1 269982a_100011215254_100000747444 [0,0,0,1,0,0|3,0,0]=4 5649 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,0,0,1,0,0|2,0,0]=3 5650 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,0,0,1,0,0|2,0,0]=3 5651 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,0,0,1,0,0|2,0,0]=3 5652 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,0,0,1,0,0|2,0,0]=3 5653 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [0,0,0,1,0,0|3,0,0]=4 5654 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [0,0,0,1,0,0|3,0,0]=4 5655 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [0,0,0,1,0,0|3,0,0]=4 5656 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [0,0,0,1,0,0|3,0,0]=4 5657 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [0,0,0,1,0,0|3,0,0]=4 5658 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [0,0,0,1,0,0|3,0,0]=4 5659 B11R1.30 CCCN(C)CC1CCCC1 2230a_100000747261_100000740388 [0,0,0,1,0,0|3,0,0]=4 5660 B11R1.30 CCCN(C)CC1CCCC1 269982a_100000747261_100000740388 [0,0,0,1,0,0|3,0,0]=4 5661 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,0,0,1,0,0|1,0,2]=4 5662 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,0,0,1,0,0|1,0,2]=4 5663 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,0,0,1,0,0|1,0,2]=4 5664 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,0,0,1,0,0|1,0,2]=4 5665 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,0,0,1,0,0|1,0,2]=4 5666 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,0,0,1,0,0|1,0,2]=4 5667 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [0,0,0,1,0,0|1,0,2]=4 5668 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [0,0,0,1,0,0|1,0,2]=4 5669 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [0,0,0,1,0,0|1,0,2]=4 5670 B11R1.30 CCNC(=O)CC1CC=CC1 11a_100015525214_200000137526 [0,0,0,1,0,0|1,0,2]=4 5671 B11R1.30 CCNC(=O)CC1CC=CC1 240690a_100015525214_200000137526 [0,0,0,1,0,0|1,0,2]=4 5672 B11R1.30 CCNC(=O)CC1CC=CC1 527a_100015525214_200000137526 [0,0,0,1,0,0|1,0,2]=4 5673 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,0,0,1,0,0|1,0,0]=2 5674 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,0,0,1,0,0|1,0,0]=2 5675 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,0,0,1,0,0|1,0,0]=2 5676 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [0,0,0,1,0,0|2,0,0]=3 5677 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [0,0,0,1,0,0|2,0,0]=3 5678 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [0,0,0,1,0,0|2,0,0]=3 5679 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,0,0,1,0,0|2,0,0]=3 5680 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,0,0,1,0,0|2,0,0]=3 5681 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,0,0,1,0,0|2,0,0]=3 5682 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,0,0,1,0,0|2,0,0]=3 5683 B11R1.30 CCNC(=O)CN1CCSC1 2230a_100011215254_100000183381 [0,0,0,1,0,0|3,0,0]=4 5684 B11R1.30 CCNC(=O)CN1CCSC1 269982a_100011215254_100000183381 [0,0,0,1,0,0|3,0,0]=4 5685 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,0,0,1,0,0|2,0,0]=3 5686 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,0,0,1,0,0|2,0,0]=3 5687 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,0,0,1,0,0|2,0,0]=3 5688 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,0,0,1,0,0|2,0,0]=3 5689 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,0,0,1,0,0|2,0,0]=3 5690 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,0,0,1,0,0|2,0,0]=3 5691 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_100015525214_200015188469 [0,0,0,1,0,0|3,0,0]=4 5692 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100015525214 [0,0,0,1,0,0|3,0,0]=4 5693 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_100015525214_200015188469 [0,0,0,1,0,0|3,0,0]=4 5694 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100015525214 [0,0,0,1,0,0|3,0,0]=4 5695 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 512a_100015525214_200015188469 [0,0,0,1,0,0|3,0,0]=4 5696 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100015525214 [0,0,0,1,0,0|3,0,0]=4 5697 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015525214_100015188467 [0,0,0,1,0,0|3,0,0]=4 5698 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100015525214 [0,0,0,1,0,0|3,0,0]=4 5699 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015525214_100015188467 [0,0,0,1,0,0|3,0,0]=4 5700 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100015525214 [0,0,0,1,0,0|3,0,0]=4 5701 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015525214_100015188467 [0,0,0,1,0,0|3,0,0]=4 5702 B11R1.30 CCNC(C)CC1CCCC1 270004a_100015525214_100000692464 [0,0,0,1,0,0|2,0,1]=4 5703 B11R1.30 CCOC(=O)CN1CC=CC1 269982a_100015195280_100000188475 [0,0,0,1,0,0|1,0,2]=4 5704 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,0,0,1,0,0|1,0,0]=2 5705 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,0,0,1,0,0|1,0,0]=2 5706 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,0,0,1,0,0|2,0,0]=3 5707 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,0,0,1,0,0|2,0,0]=3 5708 B11R1.30 CNCC(=O)NC1CCCC1 2230a_100000747513_200000210301 [0,0,0,1,0,0|3,0,0]=4 5709 B11R1.30 CNCC(=O)NC1CCCC1 2230a_106832991635_100000183512 [0,0,0,1,0,0|3,0,0]=4 5710 B11R1.30 CNCC(=O)NC1CCCC1 34a_100102657272_100000183512 [0,0,0,1,0,0|3,0,0]=4 5711 B11R1.30 CNCC(=O)NC1CCCC1 7a_106832991635_100000183512 [0,0,0,1,0,0|3,0,0]=4 5712 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [0,0,0,1,0,0|2,0,0]=3 5713 B11R1.30 CNNC(=O)CC1CCOC1 22a_100016993582_100011218419 [0,0,0,1,0,0|3,0,0]=4 5714 B11R1.30 CNNC(=O)CN1CCCC1 22a_100016993582_100000740243 [0,0,0,1,0,0|3,0,0]=4 5715 B11R1.30 CNNC(=O)NC1CCCC1 273464a_100000211070_100016993582 [0,0,0,1,0,0|3,0,0]=4 5716 B11R1.30 CNNC(=O)NC1CCCC1 512a_100000211070_100016993582 [0,0,0,1,0,0|3,0,0]=4 5717 B11R1.30 CNNC(=O)NC1CCCC1 512a_100016993582_100000211070 [0,0,0,1,0,0|3,0,0]=4 5718 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,0,0,1,0,0|2,0,0]=3 5719 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,0,0,1,0,0|3,0,0]=4 5720 B11R1.30 COCC(=O)CC1CCOC1 1458a_100000210968_100000702531 [0,0,0,1,0,0|3,0,0]=4 5721 B11R1.30 COCC(=O)NC1CCCC1 11a_100000211070_100000210968 [0,0,0,1,0,0|3,0,0]=4 5722 B11R1.30 COCC(=O)NC1CCCC1 1626a_100000211070_100000210968 [0,0,0,1,0,0|3,0,0]=4 5723 B11R1.30 COCC(=O)NC1CCCC1 240690a_100000211070_100000210968 [0,0,0,1,0,0|3,0,0]=4 5724 B11R1.30 COCC(=O)NC1CCCC1 34a_100138415774_100000183512 [0,0,0,1,0,0|3,0,0]=4 5725 B11R1.30 COCC(=O)NC1CCCC1 527a_100000211070_100000210968 [0,0,0,1,0,0|3,0,0]=4 5726 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,0,0,1,0,0|2,0,0]=3 5727 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,0,0,1,0,0|3,0,0]=4 5728 B11R1.30 CSCC(=O)CC1CCOC1 1458a_100000184570_100000702531 [0,0,0,1,0,0|3,0,0]=4 5729 B11R1.30 CSCC(=O)NC1CCCC1 11a_100000211070_100000184570 [0,0,0,1,0,0|3,0,0]=4 5730 B11R1.30 CSCC(=O)NC1CCCC1 1626a_100000211070_100000184570 [0,0,0,1,0,0|3,0,0]=4 5731 B11R1.30 CSCC(=O)NC1CCCC1 240690a_100000211070_100000184570 [0,0,0,1,0,0|3,0,0]=4 5732 B11R1.30 CSCC(=O)NC1CCCC1 527a_100000211070_100000184570 [0,0,0,1,0,0|3,0,0]=4 5733 B11R1.30 CSCC(=O)NC1CCCC1 62a_100000183512_200000210301 [0,0,0,1,0,0|3,0,0]=4 5734 B11R1.30 CSCC(=O)NC1CCCC1 62a_200000210301_100000183512 [0,0,0,1,0,0|3,0,0]=4 5735 B11R1.30 N#CCC(=O)CC1CCCC1 1458a_100000210891_100011214920 [0,0,0,1,0,0|2,0,1]=4 5736 B11R1.30 N#CCC(=O)CC1CCCC1 1458a_100051588842_100000740388 [0,0,0,1,0,0|2,0,1]=4 5737 B11R1.30 O=C(C=CBr)CC1CCCC1 1458a_100016273825_100000740388 [0,0,0,1,0,0|2,0,1]=4 5738 B11R1.30 O=C(C=CCl)CC1CCCC1 1458a_200016279998_100000740388 [0,0,0,1,0,0|2,0,1]=4 5739 B11R1.30 O=C(C=CI)CC1CCCC1 1458a_100016256311_100000740388 [0,0,0,1,0,0|2,0,1]=4 5740 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,0,0,1,0,0|2,0,0]=3 5741 B11R1.30 O=C(CCF)CC1CCOC1 1458a_100011218419_100011217306 [0,0,0,1,0,0|3,0,0]=4 5742 B11R1.30 O=C(CCF)CN1CCCC1 1458a_100000740243_100011217306 [0,0,0,1,0,0|3,0,0]=4 5743 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,0,0,1,0,0|2,0,0]=3 5744 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,0,0,1,0,0|2,0,0]=3 5745 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,0,0,1,0,0|3,0,0]=4 5746 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011216618_100000702531 [0,0,0,1,0,0|3,0,0]=4 5747 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011218419_100000211926 [0,0,0,1,0,0|3,0,0]=4 5748 B11R1.30 O=C(CCO)CN1CCCC1 1458a_100000740243_100000211926 [0,0,0,1,0,0|3,0,0]=4 5749 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,0,0,1,0,0|3,0,0]=4 5750 B11R1.30 O=C(CN1CCCC1)NCO 2230a_100000188435_100000185155 [0,0,0,1,0,0|3,0,0]=4 5751 B11R1.30 O=C(CN1CCCC1)NCO 269982a_100000188435_100000185155 [0,0,0,1,0,0|3,0,0]=4 5752 B11R1.30 [13CH3]NCC(=O)NC1CCCC1 2230a_100000747513_200025704644 [0,0,0,1,0,0|3,0,0]=4 5753 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_100000183512_200025704644 [0,0,0,1,0,0|3,0,0]=4 5754 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_200025704644_100000183512 [0,0,0,1,0,0|3,0,0]=4 5755 B11R1.78 CCCCCCN1CC(C1)C 2230a_100000702820_100000210314 [0,0,0,1,0,0|3,0,0]=4 5756 B11R1.78 CCCCCCN1CC(C1)C 269982a_100000702820_100000210757 [0,0,0,1,0,0|3,0,0]=4 5757 B11R1.78 CCCCCCN1CC(C1)C 34a_100000702820_100000210314 [0,0,0,1,0,0|3,0,0]=4 5758 B11R1.81 CNCC1CCC(=CC1C)C 269862a_106832991636_100000075207 [0,0,0,1,0,0|3,0,0]=4 5759 B11R1.117 CCCN1CCCCCCC1 2230a_100000211400_100000210303 [0,0,0,1,0,0|3,0,0]=4 5760 B11R1.117 CCCN1CCCCCCC1 269982a_100000211400_100000210303 [0,0,0,1,0,0|3,0,0]=4 5761 B11R1.117 CCCN1CCCCCCC1 34a_100000211400_100000210303 [0,0,0,1,0,0|3,0,0]=4 5762 B11R1.117 CCNC1CCCCCCC1 2230a_100000211152_100000210202 [0,0,0,1,0,0|2,0,1]=4 5763 B11R1.117 CCNC1CCCCCCC1 270004a_100015525214_100000210524 [0,0,0,1,0,0|2,0,1]=4 5764 B11R1.117 CCNC1CCCCCCC1 34a_100000211152_100000210202 [0,0,0,1,0,0|2,0,1]=4 5765 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,0,0,1,0,0|1,0,2]=4 5766 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,0,0,1,0,0|1,0,1]=3 5767 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,0,0,1,0,0|1,0,1]=3 5768 B11R1.117 FCOC1CCCCCCC1 34a_100000210054_100015361967 [0,0,0,1,0,0|2,0,1]=4 5769 B11R1.117 FCOC1CCCCCCC1 7a_100000210054_100015361967 [0,0,0,1,0,0|2,0,1]=4 5770 B11R1.127 CCCC1CCC(C1)NCC 270004a_100015525214_200012087856 [0,0,0,1,0,0|2,0,1]=4 5771 B11R1.127 CCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210303 [0,0,0,1,0,0|2,0,1]=4 5772 B11R1.127 CCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210303 [0,0,0,1,0,0|2,0,1]=4 5773 B11R1.127 CCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210303 [0,0,0,1,0,0|2,0,1]=4 5774 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,0,0,1,0,0|2,0,0]=3 5775 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,0,0,1,0,0|2,0,0]=3 5776 B11R1.135 COCN1CCNC(=O)CC1 2230a_100000698595_100000766300 [0,0,0,1,0,0|3,0,0]=4 5777 B11R1.135 COCN1CCNC(=O)CC1 269982a_100000698595_100000766300 [0,0,0,1,0,0|3,0,0]=4 5778 B11R1.135 CSCN1CCNC(=O)CC1 2230a_100000698595_100011218213 [0,0,0,1,0,0|3,0,0]=4 5779 B11R1.135 CSCN1CCNC(=O)CC1 269982a_100000698595_100011218213 [0,0,0,1,0,0|3,0,0]=4 5780 B11R1.135 O=C1CCN(CCN1)CCF 2230a_100000698595_100011217306 [0,0,0,1,0,0|3,0,0]=4 5781 B11R1.135 O=C1CCN(CCN1)CCF 269982a_100000698595_100011217306 [0,0,0,1,0,0|3,0,0]=4 5782 B11R1.135 O=C1CCN(CCN1)CCO 2230a_100000698595_100000211926 [0,0,0,1,0,0|3,0,0]=4 5783 B11R1.135 O=C1CCN(CCN1)CCO 269982a_100000698595_100000211926 [0,0,0,1,0,0|3,0,0]=4 5784 B11R1.180 C#CCCNC1CCOC1=O 34a_100000755551_100000211211 [0,0,0,1,0,0|1,0,2]=4 5785 B11R1.180 C#CCCOC1CCOC1=O 34a_100011215631_100000211211 [0,0,0,1,0,0|1,0,2]=4 5786 B11R1.180 C#CCCSC1CCOC1=O 62a_100000211211_100000688953 [0,0,0,1,0,0|1,0,2]=4 5787 B11R1.180 C#CCCSC1CCOC1=O 62a_100000688953_100000211211 [0,0,0,1,0,0|1,0,2]=4 5788 B11R1.180 C/C=C/COC1CCOC1=O 34a_100016270725_100000211211 [0,0,0,1,0,0|1,0,2]=4 5789 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100000211211_100102629194 [0,0,0,1,0,0|1,0,2]=4 5790 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100102629194_100000211211 [0,0,0,1,0,0|1,0,2]=4 5791 B11R1.180 C=CCCNC1CCOC1=O 2230a_100015191253_100000211211 [0,0,0,1,0,0|1,0,2]=4 5792 B11R1.180 C=CCCOC1CCOC1=O 34a_100011205117_100000211211 [0,0,0,1,0,0|1,0,2]=4 5793 B11R1.180 C=CCCSC1CCOC1=O 62a_100000211211_100000754431 [0,0,0,1,0,0|1,0,2]=4 5794 B11R1.180 C=CCCSC1CCOC1=O 62a_100000754431_100000211211 [0,0,0,1,0,0|1,0,2]=4 5795 B11R1.180 CC#CCNC1CCOC1=O 2230a_100000685387_100000211211 [0,0,0,1,0,0|1,0,2]=4 5796 B11R1.180 CC#CCNC1CCOC1=O 34a_100000685387_100000211211 [0,0,0,1,0,0|1,0,2]=4 5797 B11R1.180 CC#CCOC1CCOC1=O 34a_100000761923_100000211211 [0,0,0,1,0,0|1,0,2]=4 5798 B11R1.180 CC#CCSC1CCOC1=O 62a_100000211211_100000748600 [0,0,0,1,0,0|1,0,2]=4 5799 B11R1.180 CC#CCSC1CCOC1=O 62a_100000748600_100000211211 [0,0,0,1,0,0|1,0,2]=4 5800 B11R1.180 CC=CCSC1CCOC1=O 62a_100000070051_100000211211 [0,0,0,1,0,0|1,0,2]=4 5801 B11R1.180 CC=CCSC1CCOC1=O 62a_100000211211_100000070051 [0,0,0,1,0,0|1,0,2]=4 5802 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,0,0,1,0,0|2,0,0]=3 5803 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,0,0,1,0,0|2,0,0]=3 5804 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,0,0,1,0,0|2,0,0]=3 5805 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,0,0,1,0,0|2,0,0]=3 5806 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,0,0,1,0,0|1,0,0]=2 5807 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,0,0,1,0,0|1,0,0]=2 5808 B11R1.180 CCCCNC1CCOC1C 270004a_100000102301_100000691750 [0,0,0,1,0,0|2,0,1]=4 5809 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,0,0,1,0,0|3,0,0]=4 5810 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,0,0,1,0,0|3,0,0]=4 5811 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,0,0,1,0,0|2,0,0]=3 5812 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,0,0,1,0,0|2,0,0]=3 5813 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,0,0,1,0,0|2,0,0]=3 5814 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,0,0,1,0,0|1,0,0]=2 5815 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,0,0,1,0,0|1,0,0]=2 5816 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,0,0,1,0,0|2,0,0]=3 5817 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,0,0,1,0,0|2,0,0]=3 5818 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,0,0,1,0,0|2,0,0]=3 5819 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,0,0,1,0,0|1,0,0]=2 5820 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,0,0,1,0,0|1,0,0]=2 5821 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,0,0,1,0,0|2,0,0]=3 5822 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,0,0,1,0,0|3,0,0]=4 5823 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,0,0,1,0,0|3,0,0]=4 5824 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,0,0,1,0,0|3,0,0]=4 5825 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,0,0,1,0,0|3,0,0]=4 5826 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [0,0,0,1,0,0|3,0,0]=4 5827 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [0,0,0,1,0,0|3,0,0]=4 5828 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,0,0,1,0,0|3,0,0]=4 5829 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,0,0,1,0,0|3,0,0]=4 5830 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,0,0,1,0,0|3,0,0]=4 5831 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [0,0,0,1,0,0|3,0,0]=4 5832 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,0,0,1,0,0|3,0,0]=4 5833 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,0,0,1,0,0|3,0,0]=4 5834 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,0,0,1,0,0|2,0,0]=3 5835 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,0,0,1,0,0|2,0,0]=3 5836 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,0,0,1,0,0|3,0,0]=4 5837 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,0,0,1,0,0|3,0,0]=4 5838 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [0,0,0,1,0,0|3,0,0]=4 5839 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [0,0,0,1,0,0|3,0,0]=4 5840 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,0,0,1,0,0|3,0,0]=4 5841 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,0,0,1,0,0|3,0,0]=4 5842 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,0,0,1,0,0|3,0,0]=4 5843 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,0,0,1,0,0|3,0,0]=4 5844 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,0,0,1,0,0|3,0,0]=4 5845 B11R1.180 COCCNC1CCNC1=O 2230a_100016995588_100011201679 [0,0,0,1,0,0|3,0,0]=4 5846 B11R1.180 COCCNC1CCNC1=O 34a_100016995588_100011201679 [0,0,0,1,0,0|3,0,0]=4 5847 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,0,0,1,0,0|2,0,0]=3 5848 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,0,0,1,0,0|3,0,0]=4 5849 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,0,0,1,0,0|3,0,0]=4 5850 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,0,0,1,0,0|2,0,0]=3 5851 B11R1.180 COCCO[C@H]1CCNC1=O 34a_100000688343_100011201679 [0,0,0,1,0,0|3,0,0]=4 5852 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,0,0,1,0,0|3,0,0]=4 5853 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,0,0,1,0,0|3,0,0]=4 5854 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,0,0,1,0,0|2,0,0]=3 5855 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,0,0,1,0,0|2,0,0]=3 5856 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,0,0,1,0,0|3,0,0]=4 5857 B11R1.180 CSCCNC1CCNC1=O 2230a_100016995588_100000751147 [0,0,0,1,0,0|3,0,0]=4 5858 B11R1.180 CSCCNC1CCNC1=O 34a_100016995588_100000212216 [0,0,0,1,0,0|3,0,0]=4 5859 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,0,0,1,0,0|2,0,0]=3 5860 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,0,0,1,0,0|3,0,0]=4 5861 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,0,0,1,0,0|3,0,0]=4 5862 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,0,0,1,0,0|3,0,0]=4 5863 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,0,0,1,0,0|2,0,0]=3 5864 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,0,0,1,0,0|2,0,0]=3 5865 B11R1.180 CSCCO[C@H]1CCNC1=O 34a_100000688343_100000212216 [0,0,0,1,0,0|3,0,0]=4 5866 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,0,0,1,0,0|3,0,0]=4 5867 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,0,0,1,0,0|3,0,0]=4 5868 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,0,0,1,0,0|2,0,0]=3 5869 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,0,0,1,0,0|2,0,0]=3 5870 B11R1.180 CSCOCC1CCNC1=O 34a_100000133458_100011218213 [0,0,0,1,0,0|3,0,0]=4 5871 B11R1.180 N#CCCSC1CCOC1=O 62a_100000211211_100011215226 [0,0,0,1,0,0|2,0,1]=4 5872 B11R1.180 N#CCCSC1CCOC1=O 62a_100011215226_100000211211 [0,0,0,1,0,0|2,0,1]=4 5873 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,0,0,1,0,0|3,0,0]=4 5874 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,0,0,1,0,0|2,0,0]=3 5875 B11R1.180 NOCCOC1CCOC1=O 34a_100000700252_100000211211 [0,0,0,1,0,0|3,0,0]=4 5876 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,0,0,1,0,0|3,0,0]=4 5877 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,0,0,1,0,0|3,0,0]=4 5878 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,0,0,1,0,0|3,0,0]=4 5879 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,0,0,1,0,0|3,0,0]=4 5880 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,0,0,1,0,0|3,0,0]=4 5881 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,0,0,1,0,0|3,0,0]=4 5882 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,0,0,1,0,0|3,0,0]=4 5883 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,0,0,1,0,0|3,0,0]=4 5884 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,0,0,1,0,0|3,0,0]=4 5885 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,0,0,1,0,0|3,0,0]=4 5886 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,0,0,1,0,0|3,0,0]=4 5887 B11R1.180 O=C1NCCC1COCCF 34a_100000133458_100011217306 [0,0,0,1,0,0|3,0,0]=4 5888 B11R1.180 O=C1NCCC1COCCO 34a_100000133458_100000211926 [0,0,0,1,0,0|3,0,0]=4 5889 B11R1.180 O=C1NCCC1NCCCF 2230a_100016995588_100011934791 [0,0,0,1,0,0|3,0,0]=4 5890 B11R1.180 O=C1NCCC1NCCCF 34a_100016995588_100011934791 [0,0,0,1,0,0|3,0,0]=4 5891 B11R1.180 O=C1NCCC1NCCCO 2230a_100016995588_100000230001 [0,0,0,1,0,0|3,0,0]=4 5892 B11R1.180 O=C1NCCC1NCCCO 34a_100016995588_100000230001 [0,0,0,1,0,0|3,0,0]=4 5893 B11R1.180 O=C1NCC[C@@H]1OCCCF 34a_100000688343_100011934791 [0,0,0,1,0,0|3,0,0]=4 5894 B11R1.180 O=C1NCC[C@@H]1OCCCO 34a_100000688343_100000230001 [0,0,0,1,0,0|3,0,0]=4 5895 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,0,0,1,0,0|2,0,0]=3 5896 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,0,0,1,0,0|2,0,0]=3 5897 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,0,0,1,0,0|2,0,0]=3 5898 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,0,0,1,0,0|2,0,0]=3 5899 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,0,0,1,0,0|2,0,0]=3 5900 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,0,0,1,0,0|2,0,0]=3 5901 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,0,0,1,0,0|2,0,0]=3 5902 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,0,0,1,0,0|2,0,0]=3 5903 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,0,0,1,0,0|2,0,0]=3 5904 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,0,0,1,0,0|3,0,0]=4 5905 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,0,0,1,0,0|3,0,0]=4 5906 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,0,0,1,0,0|3,0,0]=4 5907 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,0,0,1,0,0|3,0,0]=4 5908 B11R1.189 CCC1CCCC(C1)OCF 7a_100011985506_100015361967 [0,0,0,1,0,0|2,0,1]=4 5909 B11R1.189 CCNC1CCCC(C1)CC 270004a_100015525214_100000756783 [0,0,0,1,0,0|2,0,1]=4 5910 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,0,0,1,0,0|1,0,1]=3 5911 B11R1.189 CCOC1CCCC(C1)CN 34a_100011254705_100000210202 [0,0,0,1,0,0|2,0,1]=4 5912 B11R1.189 CCOC1CCCN(C1)CC 2230a_100000745229_100000210202 [0,0,0,1,0,0|2,0,1]=4 5913 B11R1.189 CCOC1CCCN(C1)CC 269982a_100000745229_100000204670 [0,0,0,1,0,0|2,0,1]=4 5914 B11R1.189 CCOC1CCCN(C1)CC 34a_100000745229_100000210202 [0,0,0,1,0,0|2,0,1]=4 5915 B11R1.199 C#CCC(=O)C1CCCC1C 1458a_100000690547_100000184674 [0,0,0,1,0,0|1,0,2]=4 5916 B11R1.199 C=CCC(=O)C1CCCC1C 1458a_100000690547_100000210623 [0,0,0,1,0,0|1,0,2]=4 5917 B11R1.199 CC1CCCC1C(=O)CC#N 1458a_100000690547_100011214920 [0,0,0,1,0,0|2,0,1]=4 5918 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,0,0,1,0,0|2,0,0]=3 5919 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,0,0,1,0,0|2,0,0]=3 5920 B11R1.199 CC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210699 [0,0,0,1,0,0|2,0,1]=4 5921 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000210699 [0,0,0,1,0,0|2,0,1]=4 5922 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210699 [0,0,0,1,0,0|2,0,1]=4 5923 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,0,0,1,0,0|2,0,1]=4 5924 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,0,0,1,0,0|1,0,0]=2 5925 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,0,0,1,0,0|2,0,0]=3 5926 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,0,0,1,0,0|2,0,0]=3 5927 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,0,0,1,0,0|2,0,0]=3 5928 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,0,0,1,0,0|2,0,0]=3 5929 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,0,0,1,0,0|2,0,0]=3 5930 B11R1.199 CCCC(=O)N1CCSC1C 11a_200011216479_100000211992 [0,0,0,1,0,0|3,0,0]=4 5931 B11R1.199 CCCC(=O)N1CCSC1C 1626a_200011216479_100000211992 [0,0,0,1,0,0|3,0,0]=4 5932 B11R1.199 CCCC(=O)N1CCSC1C 240690a_200011216479_100000211992 [0,0,0,1,0,0|3,0,0]=4 5933 B11R1.199 CCCC(=O)N1CCSC1C 527a_200011216479_100000211992 [0,0,0,1,0,0|3,0,0]=4 5934 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,0,0,1,0,0|2,0,0]=3 5935 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,0,0,1,0,0|1,0,0]=2 5936 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,0,0,1,0,0|1,0,0]=2 5937 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,0,0,1,0,0|1,0,0]=2 5938 B11R1.199 CCNC(=O)C1CSCN1C 240690a_100015525214_100020666735 [0,0,0,1,0,0|3,0,0]=4 5939 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,0,0,1,0,0|2,0,0]=3 5940 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,0,0,1,0,0|2,0,0]=3 5941 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,0,0,1,0,0|2,0,0]=3 5942 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,0,0,1,0,0|2,0,0]=3 5943 B11R1.199 CCNC(=O)N1CCSC1C 2708a_100015525214_200011216479 [0,0,0,1,0,0|3,0,0]=4 5944 B11R1.199 CCNC(=O)N1CCSC1C 273464a_100015525214_200011216479 [0,0,0,1,0,0|3,0,0]=4 5945 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,0,0,1,0,0|2,0,0]=3 5946 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,0,0,1,0,0|2,0,0]=3 5947 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,0,0,1,0,0|2,0,0]=3 5948 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,0,0,1,0,0|2,0,0]=3 5949 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,0,0,1,0,0|2,0,0]=3 5950 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,0,0,1,0,0|2,0,0]=3 5951 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,0,0,1,0,0|2,0,0]=3 5952 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,0,0,1,0,0|2,0,0]=3 5953 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,0,0,1,0,0|2,0,0]=3 5954 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,0,0,1,0,0|1,0,0]=2 5955 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,0,0,1,0,0|1,0,0]=2 5956 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,0,0,1,0,0|1,0,0]=2 5957 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,0,0,1,0,0|1,0,0]=2 5958 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,0,0,1,0,0|2,0,0]=3 5959 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,0,0,1,0,0|2,0,0]=3 5960 B11R1.199 CCO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100000210202 [0,0,0,1,0,0|2,0,1]=4 5961 B11R1.199 CN1CCC[C@H]1C(=O)CCF 1458a_100009816429_100011217306 [0,0,0,1,0,0|3,0,0]=4 5962 B11R1.199 CN1CCC[C@H]1C(=O)CCO 1458a_100009816429_100000211926 [0,0,0,1,0,0|3,0,0]=4 5963 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [0,0,0,1,0,0|2,0,0]=3 5964 B11R1.199 CNNC(=O)[C@@H]1CCCN1C 22a_100016993582_100009816429 [0,0,0,1,0,0|3,0,0]=4 5965 B11R1.199 COCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210968 [0,0,0,1,0,0|3,0,0]=4 5966 B11R1.199 COCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210968 [0,0,0,1,0,0|3,0,0]=4 5967 B11R1.199 COCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210968 [0,0,0,1,0,0|3,0,0]=4 5968 B11R1.199 COCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210968 [0,0,0,1,0,0|3,0,0]=4 5969 B11R1.199 COCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210968 [0,0,0,1,0,0|3,0,0]=4 5970 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000184570 [0,0,0,1,0,0|3,0,0]=4 5971 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000184570 [0,0,0,1,0,0|3,0,0]=4 5972 B11R1.199 CSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000184570 [0,0,0,1,0,0|3,0,0]=4 5973 B11R1.199 CSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000184570 [0,0,0,1,0,0|3,0,0]=4 5974 B11R1.199 CSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000184570 [0,0,0,1,0,0|3,0,0]=4 5975 B11R1.199 C[C@@H]1CCCN1C(=O)CCO 240690a_100015189458_100011216618 [0,0,0,1,0,0|3,0,0]=4 5976 B11R1.199 C[C@H]1CCCN1C(=O)CCO 240690a_100020605311_100011216618 [0,0,0,1,0,0|3,0,0]=4 5977 B11R1.210 CCCCN1CC(C1)OCC 269982a_100000732654_100000210211 [0,0,0,1,0,0|2,0,1]=4 5978 B11R1.210 CCCCN1CC(C1)OCC 34a_100000732654_100000210210 [0,0,0,1,0,0|2,0,1]=4 5979 B11R1.265 CCC1C(=O)NCCN1CC 2230a_100000187962_100000210202 [0,0,0,1,0,0|3,0,0]=4 5980 B11R1.265 CCC1C(=O)NCCN1CC 269982a_100000187962_100000204670 [0,0,0,1,0,0|3,0,0]=4 5981 B11R1.265 CCC1C(=O)NCCN1CC 34a_100000187962_100000210202 [0,0,0,1,0,0|3,0,0]=4 5982 B11R1.288 CCCC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747444 [0,0,0,1,0,0|3,0,0]=4 5983 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747444 [0,0,0,1,0,0|3,0,0]=4 5984 B11R1.288 CCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183381 [0,0,0,1,0,0|3,0,0]=4 5985 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183381 [0,0,0,1,0,0|3,0,0]=4 5986 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183381 [0,0,0,1,0,0|3,0,0]=4 5987 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [0,0,0,1,0,0|2,0,0]=3 5988 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [0,0,0,1,0,0|2,0,0]=3 5989 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [0,0,0,1,0,0|2,0,0]=3 5990 B11R1.289 C=COC(=O)CNC1CCC1 2230a_100000749019_100000036128 [0,0,0,1,0,0|1,0,2]=4 5991 B11R1.289 C=COC(=O)CNC1CCC1 34a_100000749019_100000036128 [0,0,0,1,0,0|1,0,2]=4 5992 B11R1.289 C=COC(=O)COC1CCC1 34a_100000748187_100000036128 [0,0,0,1,0,0|1,0,2]=4 5993 B11R1.289 C=COC(=O)CSC1CCC1 62a_100000036128_100000749161 [0,0,0,1,0,0|1,0,2]=4 5994 B11R1.289 CC=CC(=O)NCC1CCC1 11a_100000738700_100000210699 [0,0,0,1,0,0|2,0,1]=4 5995 B11R1.289 CC=CC(=O)NCC1CCC1 1626a_100000738700_100000210699 [0,0,0,1,0,0|2,0,1]=4 5996 B11R1.289 CC=CC(=O)NCC1CCC1 240690a_100000738700_100000210699 [0,0,0,1,0,0|2,0,1]=4 5997 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,0,0,1,0,0|2,0,0]=3 5998 B11R1.289 CCCC(=O)CNC1COC1 2230a_100016991112_100000747444 [0,0,0,1,0,0|3,0,0]=4 5999 B11R1.289 CCCC(=O)COC1CSC1 7a_100000072292_100000747444 [0,0,0,1,0,0|3,0,0]=4 6000 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,0,0,1,0,0|2,0,0]=3 6001 B11R1.289 CCCC(=O)CSC1COC1 62a_100000747444_100009818527 [0,0,0,1,0,0|3,0,0]=4 6002 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,0,0,1,0,0|2,0,0]=3 6003 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,0,0,1,0,0|2,0,0]=3 6004 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,0,0,1,0,0|2,0,0]=3 6005 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,0,0,1,0,0|2,0,0]=3 6006 B11R1.289 CCCC(=O)NCC1COC1 11a_100015281925_100000211992 [0,0,0,1,0,0|3,0,0]=4 6007 B11R1.289 CCCC(=O)NCC1COC1 1626a_100015281925_100000211992 [0,0,0,1,0,0|3,0,0]=4 6008 B11R1.289 CCCC(=O)NCC1COC1 240690a_100015281925_100000211992 [0,0,0,1,0,0|3,0,0]=4 6009 B11R1.289 CCCC(=O)NCC1COC1 527a_100015281925_100000211992 [0,0,0,1,0,0|3,0,0]=4 6010 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,0,0,1,0,0|3,0,0]=4 6011 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,0,0,1,0,0|3,0,0]=4 6012 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,0,0,1,0,0|3,0,0]=4 6013 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,0,0,1,0,0|3,0,0]=4 6014 B11R1.289 CCCC(=O)NNC1CCC1 22a_100000736358_100000211992 [0,0,0,1,0,0|3,0,0]=4 6015 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [0,0,0,1,0,0|3,0,0]=4 6016 B11R1.289 CCNC(=O)CCN1CCC1 269982a_100000754969_100000737597 [0,0,0,1,0,0|2,0,0]=3 6017 B11R1.289 CCNC(=O)CNC1CCC1 2230a_100000749019_100000183381 [0,0,0,1,0,0|2,0,0]=3 6018 B11R1.289 CCNC(=O)CNC1CCC1 270004a_100016988866_100000241760 [0,0,0,1,0,0|2,0,0]=3 6019 B11R1.289 CCNC(=O)CNC1CCC1 34a_100000749019_100000183381 [0,0,0,1,0,0|2,0,0]=3 6020 B11R1.289 CCNC(=O)CNC1COC1 2230a_100016991112_100000183381 [0,0,0,1,0,0|3,0,0]=4 6021 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [0,0,0,1,0,0|2,0,0]=3 6022 B11R1.289 CCNC(=O)COC1CSC1 7a_100000072292_100000183381 [0,0,0,1,0,0|3,0,0]=4 6023 B11R1.289 CCNC(=O)CSC1CCC1 62a_100000183381_100000749161 [0,0,0,1,0,0|2,0,0]=3 6024 B11R1.289 CCNC(=O)CSC1COC1 62a_100000183381_100009818527 [0,0,0,1,0,0|3,0,0]=4 6025 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [0,0,0,1,0,0|2,0,0]=3 6026 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [0,0,0,1,0,0|2,0,0]=3 6027 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [0,0,0,1,0,0|2,0,0]=3 6028 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [0,0,0,1,0,0|2,0,0]=3 6029 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [0,0,0,1,0,0|2,0,0]=3 6030 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [0,0,0,1,0,0|2,0,0]=3 6031 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015281925_100015525214 [0,0,0,1,0,0|3,0,0]=4 6032 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015525214_100015281925 [0,0,0,1,0,0|3,0,0]=4 6033 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015281925_100015525214 [0,0,0,1,0,0|3,0,0]=4 6034 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015525214_100015281925 [0,0,0,1,0,0|3,0,0]=4 6035 B11R1.289 CCNC(=O)NCC1COC1 512a_100015281925_100015525214 [0,0,0,1,0,0|3,0,0]=4 6036 B11R1.289 CCNC(=O)NCC1COC1 512a_100015525214_100015281925 [0,0,0,1,0,0|3,0,0]=4 6037 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100015525214_100020831831 [0,0,0,1,0,0|3,0,0]=4 6038 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100015525214 [0,0,0,1,0,0|3,0,0]=4 6039 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100015525214_100020831831 [0,0,0,1,0,0|3,0,0]=4 6040 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100015525214 [0,0,0,1,0,0|3,0,0]=4 6041 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100015525214_100020831831 [0,0,0,1,0,0|3,0,0]=4 6042 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100015525214 [0,0,0,1,0,0|3,0,0]=4 6043 B11R1.289 CCNC(=O)NNC1CCC1 273464a_100015525214_100000736358 [0,0,0,1,0,0|3,0,0]=4 6044 B11R1.289 CCNC(=O)NNC1CCC1 512a_100000736358_100015525214 [0,0,0,1,0,0|3,0,0]=4 6045 B11R1.289 CCNC(=O)NNC1CCC1 512a_100015525214_100000736358 [0,0,0,1,0,0|3,0,0]=4 6046 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,0,0,1,0,0|1,0,0]=2 6047 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,0,0,1,0,0|1,0,0]=2 6048 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,0,0,1,0,0|1,0,0]=2 6049 B11R1.289 CCOC(=O)CNC1COC1 2230a_100016991112_100000188475 [0,0,0,1,0,0|2,0,0]=3 6050 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,0,0,1,0,0|1,0,0]=2 6051 B11R1.289 CCOC(=O)COC1CSC1 7a_100000072292_100000188475 [0,0,0,1,0,0|2,0,0]=3 6052 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,0,0,1,0,0|1,0,0]=2 6053 B11R1.289 CCOC(=O)CSC1COC1 62a_100000188475_100009818527 [0,0,0,1,0,0|2,0,0]=3 6054 B11R1.289 CNNC(=O)NCC1CCC1 273464a_100000738700_100016993582 [0,0,0,1,0,0|3,0,0]=4 6055 B11R1.289 CNNC(=O)NCC1CCC1 512a_100000738700_100016993582 [0,0,0,1,0,0|3,0,0]=4 6056 B11R1.289 CNNC(=O)NCC1CCC1 512a_100016993582_100000738700 [0,0,0,1,0,0|3,0,0]=4 6057 B11R1.289 COCC(=O)NCC1CCC1 11a_100000738700_100000210968 [0,0,0,1,0,0|3,0,0]=4 6058 B11R1.289 COCC(=O)NCC1CCC1 1626a_100000738700_100000210968 [0,0,0,1,0,0|3,0,0]=4 6059 B11R1.289 COCC(=O)NCC1CCC1 240690a_100000738700_100000210968 [0,0,0,1,0,0|3,0,0]=4 6060 B11R1.289 COCC(=O)NCC1CCC1 527a_100000738700_100000210968 [0,0,0,1,0,0|3,0,0]=4 6061 B11R1.289 CSCC(=O)NCC1CCC1 11a_100000738700_100000184570 [0,0,0,1,0,0|3,0,0]=4 6062 B11R1.289 CSCC(=O)NCC1CCC1 1626a_100000738700_100000184570 [0,0,0,1,0,0|3,0,0]=4 6063 B11R1.289 CSCC(=O)NCC1CCC1 240690a_100000738700_100000184570 [0,0,0,1,0,0|3,0,0]=4 6064 B11R1.289 CSCC(=O)NCC1CCC1 527a_100000738700_100000184570 [0,0,0,1,0,0|3,0,0]=4 6065 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,0,0,1,0,0|3,0,0]=4 6066 B11R1.289 O=C(CNC1CCC1)NCO 2230a_100000749019_100000185155 [0,0,0,1,0,0|3,0,0]=4 6067 B11R1.289 O=C(CNC1CCC1)NCO 34a_100000749019_100000185155 [0,0,0,1,0,0|3,0,0]=4 6068 B11R1.289 O=C(COC1CCC1)NCO 34a_100000748187_100000185155 [0,0,0,1,0,0|3,0,0]=4 6069 B11R1.289 O=C(CSC1CCC1)NCO 62a_100000185155_100000749161 [0,0,0,1,0,0|3,0,0]=4 6070 B11R1.290 C=COC(=O)CNCC1CC1 2230a_100000735609_100000036128 [0,0,0,1,0,0|1,0,2]=4 6071 B11R1.290 C=COC(=O)CNCC1CC1 34a_100000735609_100000036128 [0,0,0,1,0,0|1,0,2]=4 6072 B11R1.290 C=COC(=O)COCC1CC1 34a_100000211283_100000036128 [0,0,0,1,0,0|1,0,2]=4 6073 B11R1.290 C=COC(=O)CSCC1CC1 62a_100000036128_100000742324 [0,0,0,1,0,0|1,0,2]=4 6074 B11R1.290 C=COC(=O)CSCC1CC1 62a_100000756562_100000036128 [0,0,0,1,0,0|1,0,2]=4 6075 B11R1.290 CC#CC(=O)CCCC1CO1 1458a_100000763181_100000733510 [0,0,0,1,0,0|2,0,1]=4 6076 B11R1.290 CC=CC(=O)CCCC1CO1 1458a_100000210699_100000733510 [0,0,0,1,0,0|2,0,1]=4 6077 B11R1.290 CC=CC(=O)NCCC1CC1 1626a_100000764129_100000210699 [0,0,0,1,0,0|2,0,1]=4 6078 B11R1.290 CC=CC(=O)NCCC1CC1 240690a_100000764129_100000210699 [0,0,0,1,0,0|2,0,1]=4 6079 B11R1.290 CCCC(=O)CC#CC1CC1 1458a_100000211992_100009895102 [0,0,0,1,0,0|1,0,2]=4 6080 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,0,0,1,0,0|2,0,0]=3 6081 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,0,0,1,0,0|2,0,0]=3 6082 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,0,0,1,0,0|2,0,0]=3 6083 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,0,0,1,0,0|2,0,0]=3 6084 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,0,0,1,0,0|2,0,0]=3 6085 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,0,0,1,0,0|3,0,0]=4 6086 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,0,0,1,0,0|3,0,0]=4 6087 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000031435_100000747444 [0,0,0,1,0,0|3,0,0]=4 6088 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000747444_100000031435 [0,0,0,1,0,0|3,0,0]=4 6089 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,0,0,1,0,0|3,0,0]=4 6090 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,0,0,1,0,0|3,0,0]=4 6091 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,0,0,1,0,0|2,0,0]=3 6092 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,0,0,1,0,0|2,0,0]=3 6093 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,0,0,1,0,0|2,0,0]=3 6094 B11R1.290 CCCC(=O)NNCC1CC1 22a_100000736359_100000211992 [0,0,0,1,0,0|3,0,0]=4 6095 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,0,0,1,0,0|3,0,0]=4 6096 B11R1.290 CCNC(=O)CCNC1CC1 34a_100025743525_100000211595 [0,0,0,1,0,0|2,0,0]=3 6097 B11R1.290 CCNC(=O)CCSC1CC1 62a_100000737597_100000211595 [0,0,0,1,0,0|2,0,0]=3 6098 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100000735609_100000183381 [0,0,0,1,0,0|2,0,0]=3 6099 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100016988866_100000742324 [0,0,0,1,0,0|2,0,0]=3 6100 B11R1.290 CCNC(=O)CNCC1CC1 34a_100000735609_100000183381 [0,0,0,1,0,0|2,0,0]=3 6101 B11R1.290 CCNC(=O)CNCC1CO1 2230a_100016988866_100011216344 [0,0,0,1,0,0|3,0,0]=4 6102 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [0,0,0,1,0,0|2,0,0]=3 6103 B11R1.290 CCNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183381 [0,0,0,1,0,0|3,0,0]=4 6104 B11R1.290 CCNC(=O)CSCC1CC1 11a_100015525214_200011316215 [0,0,0,1,0,0|2,0,0]=3 6105 B11R1.290 CCNC(=O)CSCC1CC1 240690a_100015525214_200011316215 [0,0,0,1,0,0|2,0,0]=3 6106 B11R1.290 CCNC(=O)CSCC1CC1 527a_100015525214_200011316215 [0,0,0,1,0,0|2,0,0]=3 6107 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000183381_100000742324 [0,0,0,1,0,0|2,0,0]=3 6108 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000756562_100000183381 [0,0,0,1,0,0|2,0,0]=3 6109 B11R1.290 CCNC(=O)CSCC1CO1 62a_100000183381_102125554688 [0,0,0,1,0,0|3,0,0]=4 6110 B11R1.290 CCNC(=O)CSCC1CO1 62a_102125554688_100000183381 [0,0,0,1,0,0|3,0,0]=4 6111 B11R1.290 CCNC(=O)CSCC1CS1 62a_100000031435_100000183381 [0,0,0,1,0,0|3,0,0]=4 6112 B11R1.290 CCNC(=O)CSCC1CS1 62a_100000183381_100000031435 [0,0,0,1,0,0|3,0,0]=4 6113 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000183381_100000745022 [0,0,0,1,0,0|3,0,0]=4 6114 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183381 [0,0,0,1,0,0|3,0,0]=4 6115 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 6116 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 6117 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 6118 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 6119 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [0,0,0,1,0,0|2,0,0]=3 6120 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [0,0,0,1,0,0|2,0,0]=3 6121 B11R1.290 CCNC(=O)NNCC1CC1 273464a_100015525214_100000736359 [0,0,0,1,0,0|3,0,0]=4 6122 B11R1.290 CCNC(=O)NNCC1CC1 512a_100000736359_100015525214 [0,0,0,1,0,0|3,0,0]=4 6123 B11R1.290 CCNC(=O)NNCC1CC1 512a_100015525214_100000736359 [0,0,0,1,0,0|3,0,0]=4 6124 B11R1.290 CCOC(=O)C=NNC1CC1 4a_100000701032_100000742314 [0,0,0,1,0,0|2,0,1]=4 6125 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,0,0,1,0,0|1,0,0]=2 6126 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,0,0,1,0,0|1,0,0]=2 6127 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,0,0,1,0,0|1,0,0]=2 6128 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,0,0,1,0,0|1,0,0]=2 6129 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,0,0,1,0,0|1,0,0]=2 6130 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [0,0,0,1,0,0|2,0,0]=3 6131 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,0,0,1,0,0|1,0,0]=2 6132 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,0,0,1,0,0|1,0,0]=2 6133 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [0,0,0,1,0,0|2,0,0]=3 6134 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [0,0,0,1,0,0|2,0,0]=3 6135 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000031435_100000188475 [0,0,0,1,0,0|2,0,0]=3 6136 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000188475_100000031435 [0,0,0,1,0,0|2,0,0]=3 6137 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [0,0,0,1,0,0|2,0,0]=3 6138 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [0,0,0,1,0,0|2,0,0]=3 6139 B11R1.290 CNNC(=O)CSCC1CC1 22a_100016993582_200011316215 [0,0,0,1,0,0|3,0,0]=4 6140 B11R1.290 CNNC(=O)NCCC1CC1 273464a_100000764129_100016993582 [0,0,0,1,0,0|3,0,0]=4 6141 B11R1.290 CNNC(=O)NCCC1CC1 512a_100000764129_100016993582 [0,0,0,1,0,0|3,0,0]=4 6142 B11R1.290 CNNC(=O)NCCC1CC1 512a_100016993582_100000764129 [0,0,0,1,0,0|3,0,0]=4 6143 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,0,0,1,0,0|3,0,0]=4 6144 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [0,0,0,1,0,0|3,0,0]=4 6145 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [0,0,0,1,0,0|3,0,0]=4 6146 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [0,0,0,1,0,0|3,0,0]=4 6147 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,0,0,1,0,0|3,0,0]=4 6148 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [0,0,0,1,0,0|3,0,0]=4 6149 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [0,0,0,1,0,0|3,0,0]=4 6150 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [0,0,0,1,0,0|3,0,0]=4 6151 B11R1.290 O=C(CCF)CSCC1CC1 1458a_200011316215_100011217306 [0,0,0,1,0,0|3,0,0]=4 6152 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,0,0,1,0,0|3,0,0]=4 6153 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,0,0,1,0,0|3,0,0]=4 6154 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,0,0,1,0,0|3,0,0]=4 6155 B11R1.290 O=C(CNCC1CC1)NCO 2230a_100000735609_100000185155 [0,0,0,1,0,0|3,0,0]=4 6156 B11R1.290 O=C(CNCC1CC1)NCO 34a_100000735609_100000185155 [0,0,0,1,0,0|3,0,0]=4 6157 B11R1.290 O=C(COCC1CC1)NCO 34a_100000211283_100000185155 [0,0,0,1,0,0|3,0,0]=4 6158 B11R1.290 O=C(CSCC1CC1)NCO 62a_100000185155_100000742324 [0,0,0,1,0,0|3,0,0]=4 6159 B11R1.290 O=C(CSCC1CC1)NCO 62a_100000756562_100000185155 [0,0,0,1,0,0|3,0,0]=4 6160 B11R1.291 C=COC(=O)CN1CCC1C 269982a_100000755817_100000036128 [0,0,0,1,0,0|1,0,2]=4 6161 B11R1.291 C=COC(=O)CN1CCC1C 34a_100000755817_100000036128 [0,0,0,1,0,0|1,0,2]=4 6162 B11R1.291 CC1CCN1CC(=O)NCO 269982a_100000755817_100000185155 [0,0,0,1,0,0|3,0,0]=4 6163 B11R1.291 CC1CCN1CC(=O)NCO 34a_100000755817_100000185155 [0,0,0,1,0,0|3,0,0]=4 6164 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,0,0,1,0,0|2,0,0]=3 6165 B11R1.291 CCNC(=O)CN1CCC1C 269982a_100000755817_100000183381 [0,0,0,1,0,0|2,0,0]=3 6166 B11R1.291 CCNC(=O)CN1CCC1C 34a_100000755817_100000183381 [0,0,0,1,0,0|2,0,0]=3 6167 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,0,0,1,0,0|1,0,0]=2 6168 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,0,0,1,0,0|1,0,0]=2 6169 B11R1.356 C#CCCCCC(=O)C1CC1 1458a_100000210395_100010269958 [0,0,0,1,0,0|1,0,2]=4 6170 B11R1.356 C=CCCCCC(=O)C1CC1 1458a_100000210395_100011215482 [0,0,0,1,0,0|1,0,2]=4 6171 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [0,0,0,1,0,0|1,0,2]=4 6172 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,0,0,1,0,0|1,0,0]=2 6173 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,0,0,1,0,0|2,0,0]=3 6174 B11R1.356 CCCCCCN(C)C1CC1 2230a_100000226674_100000210314 [0,0,0,1,0,0|3,0,0]=4 6175 B11R1.356 CCCCCCN(C)C1CC1 269982a_100000226674_100000210757 [0,0,0,1,0,0|3,0,0]=4 6176 B11R1.356 CCCCCCN(C)C1CC1 269982a_106256046315_100000211595 [0,0,0,1,0,0|3,0,0]=4 6177 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [0,0,0,1,0,0|2,0,0]=3 6178 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [0,0,0,1,0,0|2,0,0]=3 6179 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [0,0,0,1,0,0|2,0,0]=3 6180 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [0,0,0,1,0,0|2,0,0]=3 6181 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,0,0,1,0,0|3,0,0]=4 6182 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,0,0,1,0,0|3,0,0]=4 6183 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,0,0,1,0,0|3,0,0]=4 6184 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,0,0,1,0,0|3,0,0]=4 6185 B11R1.356 CCCCNCC(=O)C1CC1 2230a_100000102301_100000746382 [0,0,0,1,0,0|2,0,0]=3 6186 B11R1.356 CCCCNCC(=O)C1CC1 7a_106832991798_100000746382 [0,0,0,1,0,0|2,0,0]=3 6187 B11R1.356 CCCCNNC(=O)C1CC1 22a_100025702795_100000210395 [0,0,0,1,0,0|3,0,0]=4 6188 B11R1.356 CCCCOCC(=O)C1CC1 1458a_100000210395_100011995733 [0,0,0,1,0,0|2,0,0]=3 6189 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000210227_100000746382 [0,0,0,1,0,0|2,0,0]=3 6190 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000686663_100000210210 [0,0,0,1,0,0|2,0,0]=3 6191 B11R1.356 CCCCOCC(=O)C1CC1 7a_100000210227_100000746382 [0,0,0,1,0,0|2,0,0]=3 6192 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,0,0,1,0,0|3,0,0]=4 6193 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000210211_100000746382 [0,0,0,1,0,0|2,0,0]=3 6194 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000746382_100000210210 [0,0,0,1,0,0|2,0,0]=3 6195 B11R1.356 CCCOCCC(=O)C1CC1 1458a_100000210395_100011215938 [0,0,0,1,0,0|2,0,0]=3 6196 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,0,0,1,0,0|3,0,0]=4 6197 B11R1.356 CCCOCOC(=O)C1CC1 34a_100000210258_100000140896 [0,0,0,1,0,0|3,0,0]=4 6198 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000140896_100000210303 [0,0,0,1,0,0|3,0,0]=4 6199 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000210303_100000140896 [0,0,0,1,0,0|3,0,0]=4 6200 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [0,0,0,1,0,0|2,0,0]=3 6201 B11R1.356 CCOCCCC(=O)C1CO1 1458a_100000701028_100012232248 [0,0,0,1,0,0|3,0,0]=4 6202 B11R1.356 CCOCCNC(=O)C1CC1 11a_100011200944_100000210395 [0,0,0,1,0,0|3,0,0]=4 6203 B11R1.356 CCOCCNC(=O)C1CC1 1626a_102516460346_100000210395 [0,0,0,1,0,0|3,0,0]=4 6204 B11R1.356 CCOCCNC(=O)C1CC1 240690a_100011200944_100000210395 [0,0,0,1,0,0|3,0,0]=4 6205 B11R1.356 CCOCCNC(=O)C1CC1 527a_100011200944_100000210395 [0,0,0,1,0,0|3,0,0]=4 6206 B11R1.356 CCOCSCC(=O)C1CC1 62a_100000739092_100000746382 [0,0,0,1,0,0|3,0,0]=4 6207 B11R1.356 CCOCSCC(=O)C1CC1 62a_100000746382_100000739092 [0,0,0,1,0,0|3,0,0]=4 6208 B11R1.356 CCSCCNC(=O)C1CC1 11a_100000106463_100000210395 [0,0,0,1,0,0|3,0,0]=4 6209 B11R1.356 CCSCCNC(=O)C1CC1 1626a_100000106463_100000210395 [0,0,0,1,0,0|3,0,0]=4 6210 B11R1.356 CCSCCNC(=O)C1CC1 240690a_100000106463_100000210395 [0,0,0,1,0,0|3,0,0]=4 6211 B11R1.356 CCSCCNC(=O)C1CC1 527a_100000106463_100000210395 [0,0,0,1,0,0|3,0,0]=4 6212 B11R1.356 COCCCCC(=O)C1CC1 1458a_100000210395_100000755781 [0,0,0,1,0,0|2,0,0]=3 6213 B11R1.356 COCCCCC(=O)C1CO1 1458a_100000701028_100000755781 [0,0,0,1,0,0|3,0,0]=4 6214 B11R1.356 COCCCNC(=O)C1CC1 1626a_100150723488_100000210395 [0,0,0,1,0,0|3,0,0]=4 6215 B11R1.356 COCCCNC(=O)C1CC1 240690a_100150723488_100000210395 [0,0,0,1,0,0|3,0,0]=4 6216 B11R1.356 COCCCNC(=O)C1CC1 527a_100150723488_100000210395 [0,0,0,1,0,0|3,0,0]=4 6217 B11R1.356 COCCNCC(=O)C1CC1 2230a_100000209980_100000746382 [0,0,0,1,0,0|3,0,0]=4 6218 B11R1.356 COCCOCC(=O)C1CC1 34a_100000210237_100000746382 [0,0,0,1,0,0|3,0,0]=4 6219 B11R1.356 COCCOCC(=O)C1CC1 34a_100000686663_100011201679 [0,0,0,1,0,0|3,0,0]=4 6220 B11R1.356 COCCSCC(=O)C1CC1 62a_100000233755_100000746382 [0,0,0,1,0,0|3,0,0]=4 6221 B11R1.356 COCCSCC(=O)C1CC1 62a_100000746382_100000233755 [0,0,0,1,0,0|3,0,0]=4 6222 B11R1.356 CSCCCNC(=O)C1CC1 11a_100000749238_100000210395 [0,0,0,1,0,0|3,0,0]=4 6223 B11R1.356 CSCCCNC(=O)C1CC1 1626a_100000749238_100000210395 [0,0,0,1,0,0|3,0,0]=4 6224 B11R1.356 CSCCCNC(=O)C1CC1 240690a_100000749238_100000210395 [0,0,0,1,0,0|3,0,0]=4 6225 B11R1.356 CSCCCNC(=O)C1CC1 527a_100000749238_100000210395 [0,0,0,1,0,0|3,0,0]=4 6226 B11R1.356 CSCCNCC(=O)C1CC1 2230a_100020590264_100000746382 [0,0,0,1,0,0|3,0,0]=4 6227 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000230434_100000746382 [0,0,0,1,0,0|3,0,0]=4 6228 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000686663_100000212216 [0,0,0,1,0,0|3,0,0]=4 6229 B11R1.356 CSCCOCC(=O)C1CC1 7a_100000230434_100000746382 [0,0,0,1,0,0|3,0,0]=4 6230 B11R1.356 CSCCSCC(=O)C1CC1 62a_100000212216_100000746382 [0,0,0,1,0,0|3,0,0]=4 6231 B11R1.356 CSCCSCC(=O)C1CC1 62a_100000746382_100000751147 [0,0,0,1,0,0|3,0,0]=4 6232 B11R1.356 N#CCCCCC(=O)C1CC1 1458a_100000210395_100000211819 [0,0,0,1,0,0|2,0,1]=4 6233 B11R1.356 NCCCOCC(=O)C1CC1 34a_100000182051_100000746382 [0,0,0,1,0,0|3,0,0]=4 6234 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [0,0,0,1,0,0|2,0,0]=3 6235 B11R1.356 O=C(CCCCCF)C1CO1 1458a_100000701028_100000729378 [0,0,0,1,0,0|3,0,0]=4 6236 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [0,0,0,1,0,0|2,0,0]=3 6237 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,0,0,1,0,0|3,0,0]=4 6238 B11R1.356 O=C(CCOCCO)C1CC1 1458a_100000210395_100011215305 [0,0,0,1,0,0|3,0,0]=4 6239 B11R1.356 O=C(CNCCCF)C1CC1 2230a_100015189416_100000746382 [0,0,0,1,0,0|3,0,0]=4 6240 B11R1.356 O=C(CNCCCF)C1CC1 34a_100015189416_100000746382 [0,0,0,1,0,0|3,0,0]=4 6241 B11R1.356 O=C(COCCCBr)C1CC1 34a_100011217188_100000746382 [0,0,0,1,0,0|3,0,0]=4 6242 B11R1.356 O=C(COCCCCl)C1CC1 34a_100000230001_100000746382 [0,0,0,1,0,0|3,0,0]=4 6243 B11R1.356 O=C(COCCCF)C1CC1 34a_100000686663_100011934791 [0,0,0,1,0,0|3,0,0]=4 6244 B11R1.356 O=C(COCCCF)C1CC1 34a_100000759539_100000746382 [0,0,0,1,0,0|3,0,0]=4 6245 B11R1.356 O=C(COCCCO)C1CC1 34a_100000686663_100000230001 [0,0,0,1,0,0|3,0,0]=4 6246 B11R1.356 O=C(CSCCCF)C1CC1 62a_100000746382_100011934791 [0,0,0,1,0,0|3,0,0]=4 6247 B11R1.356 O=C(CSCCCF)C1CC1 62a_100011934791_100000746382 [0,0,0,1,0,0|3,0,0]=4 6248 B11R1.356 O=C(CSCCCO)C1CC1 62a_100000746382_100011215043 [0,0,0,1,0,0|3,0,0]=4 6249 B11R1.356 O=C(CSCCCO)C1CC1 62a_100011215043_100000746382 [0,0,0,1,0,0|3,0,0]=4 6250 B11R1.356 O=C(NCCCCO)C1CC1 240690a_100000750430_100000210395 [0,0,0,1,0,0|3,0,0]=4 6251 B11R1.356 O=C(NCCCCO)C1CC1 527a_100000750430_100000210395 [0,0,0,1,0,0|3,0,0]=4 6252 B11R1.779 CC1(CCCCCC1)OCF 34a_100000708895_100015361967 [0,0,0,1,0,0|2,0,1]=4 6253 B11R1.779 CC1(CCCCCC1)OCF 7a_100000708895_100015361967 [0,0,0,1,0,0|2,0,1]=4 6254 B11R1.779 CCNC1(CCCCCC1)C 2230a_100000704638_100000210202 [0,0,0,1,0,0|2,0,1]=4 6255 B11R1.779 CCNC1(CCCCCC1)C 34a_100000704638_100000210202 [0,0,0,1,0,0|2,0,1]=4 6256 B11R1.779 CCOC1(CCCCCC1)C 34a_100000708895_100000210202 [0,0,0,1,0,0|1,0,1]=3 6257 B11R1.779 CCOC1(CCCCCC1)C 7a_100000708895_100000210202 [0,0,0,1,0,0|1,0,1]=3 6258 B11R1.779 CCOC1(CCCNCC1)C 34a_100000723723_100000210202 [0,0,0,1,0,0|2,0,1]=4 6259 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [2,0,0,0,0,0|1,0,1]=4 6260 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|1,0,1]=4 6261 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|2,0,0]=4 6262 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|2,0,0]=4 6263 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|2,0,0]=4 6264 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|2,0,0]=4 6265 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [2,0,0,0,0,0|2,0,0]=4 6266 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [2,0,0,0,0,0|2,0,0]=4 6267 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|2,0,0]=4 6268 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|2,0,0]=4 6269 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|2,0,0]=4 6270 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|2,0,0]=4 6271 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|2,0,0]=4 6272 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|1,0,0]=3 6273 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|1,0,0]=3 6274 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|2,0,0]=4 6275 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|2,0,0]=4 6276 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|2,0,0]=4 6277 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|2,0,0]=4 6278 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|2,0,0]=4 6279 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6280 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6281 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6282 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [2,0,0,0,0,0|2,0,0]=4 6283 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [2,0,0,0,0,0|1,0,1]=4 6284 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [2,0,0,0,0,0|1,0,1]=4 6285 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [2,0,0,0,0,0|1,0,1]=4 6286 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|2,0,0]=4 6287 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|2,0,0]=4 6288 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|2,0,0]=4 6289 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|2,0,0]=4 6290 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 6291 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 6292 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 6293 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 6294 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 6295 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 6296 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 6297 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [2,0,0,0,0,0|2,0,0]=4 6298 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 6299 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [2,0,0,0,0,0|2,0,0]=4 6300 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 6301 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 6302 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 6303 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 6304 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 6305 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 6306 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [2,0,0,0,0,0|2,0,0]=4 6307 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [2,0,0,0,0,0|2,0,0]=4 6308 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [2,0,0,0,0,0|2,0,0]=4 6309 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [2,0,0,0,0,0|2,0,0]=4 6310 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 6311 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 6312 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [2,0,0,0,0,0|2,0,0]=4 6313 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 6314 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 6315 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 6316 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 6317 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [2,0,0,0,0,0|2,0,0]=4 6318 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [2,0,0,0,0,0|2,0,0]=4 6319 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [2,0,0,0,0,0|2,0,0]=4 6320 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [2,0,0,0,0,0|2,0,0]=4 6321 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|1,0,0]=3 6322 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|1,0,0]=3 6323 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|1,0,0]=3 6324 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|1,0,0]=3 6325 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|1,0,0]=3 6326 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|1,0,0]=3 6327 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|1,0,0]=3 6328 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|1,0,0]=3 6329 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|1,0,0]=3 6330 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|1,0,0]=3 6331 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|1,0,0]=3 6332 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [2,0,0,0,0,0|2,0,0]=4 6333 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [2,0,0,0,0,0|2,0,0]=4 6334 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [2,0,0,0,0,0|2,0,0]=4 6335 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [2,0,0,0,0,0|2,0,0]=4 6336 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|1,0,0]=3 6337 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [2,0,0,0,0,0|0,0,2]=4 6338 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [2,0,0,0,0,0|0,0,2]=4 6339 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [2,0,0,0,0,0|0,0,2]=4 6340 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|1,0,1]=4 6341 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [2,0,0,0,0,0|1,0,1]=4 6342 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 6343 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [2,0,0,0,0,0|1,0,1]=4 6344 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [2,0,0,0,0,0|1,0,1]=4 6345 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [2,0,0,0,0,0|1,0,1]=4 6346 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [2,0,0,0,0,0|1,0,1]=4 6347 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|0,0,2]=4 6348 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|0,0,2]=4 6349 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|0,0,2]=4 6350 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 6351 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 6352 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 6353 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 6354 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|1,0,1]=4 6355 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|0,0,2]=4 6356 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|0,0,2]=4 6357 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|0,0,2]=4 6358 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|1,0,1]=4 6359 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|1,0,1]=4 6360 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|1,0,1]=4 6361 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|1,0,1]=4 6362 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|1,0,1]=4 6363 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|1,0,1]=4 6364 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [2,0,0,0,0,0|0,0,2]=4 6365 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [2,0,0,0,0,0|1,0,1]=4 6366 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [2,0,0,0,0,0|1,0,1]=4 6367 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 6368 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [2,0,0,0,0,0|1,0,1]=4 6369 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [2,0,0,0,0,0|1,0,1]=4 6370 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [2,0,0,0,0,0|1,0,1]=4 6371 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [2,0,0,0,0,0|0,0,2]=4 6372 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [2,0,0,0,0,0|0,0,2]=4 6373 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [2,0,0,0,0,0|0,0,2]=4 6374 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [2,0,0,0,0,0|0,0,2]=4 6375 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [2,0,0,0,0,0|2,0,0]=4 6376 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [2,0,0,0,0,0|0,0,2]=4 6377 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [2,0,0,0,0,0|0,0,2]=4 6378 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,1]=4 6379 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,1]=4 6380 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,1]=4 6381 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,1]=4 6382 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,1]=4 6383 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|0,0,1]=3 6384 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|0,0,1]=3 6385 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|0,0,1]=3 6386 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|0,0,1]=3 6387 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|0,0,1]=3 6388 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|0,1,1]=4 6389 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|0,1,1]=4 6390 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|0,1,1]=4 6391 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|0,1,1]=4 6392 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,0]=3 6393 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,0]=3 6394 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|0,0,0]=2 6395 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|0,0,0]=2 6396 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|0,0,0]=2 6397 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|1,0,0]=3 6398 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|1,0,0]=3 6399 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|0,1,0]=3 6400 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|0,1,0]=3 6401 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [2,0,0,0,0,0|1,1,0]=4 6402 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [2,0,0,0,0,0|1,1,0]=4 6403 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,1]=4 6404 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|1,0,1]=4 6405 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 6406 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|1,0,1]=4 6407 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|1,0,1]=4 6408 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|1,0,1]=4 6409 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|1,0,1]=4 6410 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|1,0,1]=4 6411 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|1,0,1]=4 6412 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 6413 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 6414 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [2,0,0,0,0,0|1,0,1]=4 6415 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [2,0,0,0,0,0|1,0,1]=4 6416 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [2,0,0,0,0,0|1,0,1]=4 6417 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,1]=4 6418 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,1]=4 6419 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [2,0,0,0,0,0|1,0,1]=4 6420 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [2,0,0,0,0,0|1,0,1]=4 6421 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [2,0,0,0,0,0|1,0,1]=4 6422 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [2,0,0,0,0,0|1,0,1]=4 6423 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [2,0,0,0,0,0|1,0,1]=4 6424 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [2,0,0,0,0,0|1,0,1]=4 6425 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [2,0,0,0,0,0|1,0,1]=4 6426 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [2,0,0,0,0,0|1,0,1]=4 6427 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [2,0,0,0,0,0|2,0,0]=4 6428 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|1,0,0]=3 6429 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [2,0,0,0,0,0|1,1,0]=4 6430 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [2,0,0,0,0,0|1,1,0]=4 6431 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,1]=4 6432 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [2,0,0,0,0,0|1,0,1]=4 6433 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [2,0,0,0,0,0|1,0,1]=4 6434 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [2,0,0,0,0,0|1,0,1]=4 6435 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [2,0,0,0,0,0|1,0,1]=4 6436 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [2,0,0,0,0,0|1,0,1]=4 6437 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [2,0,0,0,0,0|1,0,1]=4 6438 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|1,0,0]=3 6439 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|1,0,0]=3 6440 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|1,0,1]=4 6441 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|1,0,0]=3 6442 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|1,0,0]=3 6443 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [2,0,0,0,0,0|1,1,0]=4 6444 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|1,0,1]=4 6445 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|1,0,1]=4 6446 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [2,0,0,0,0,0|2,0,0]=4 6447 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 6448 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [2,0,0,0,0,0|2,0,0]=4 6449 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|1,0,0]=3 6450 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|1,0,0]=3 6451 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|1,0,0]=3 6452 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|1,0,0]=3 6453 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|1,0,0]=3 6454 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|1,0,0]=3 6455 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [2,0,0,0,0,0|2,0,0]=4 6456 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [2,0,0,0,0,0|2,0,0]=4 6457 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [2,0,0,0,0,0|1,1,0]=4 6458 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [2,0,0,0,0,0|1,1,0]=4 6459 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [2,0,0,0,0,0|1,1,0]=4 6460 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [2,0,0,0,0,0|1,1,0]=4 6461 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [2,0,0,0,0,0|1,1,0]=4 6462 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|1,0,1]=4 6463 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|1,0,1]=4 6464 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [2,0,0,0,0,0|2,0,0]=4 6465 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|1,0,0]=3 6466 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|1,0,0]=3 6467 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|1,0,0]=3 6468 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|1,0,0]=3 6469 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [2,0,0,0,0,0|2,0,0]=4 6470 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [2,0,0,0,0,0|2,0,0]=4 6471 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [2,0,0,0,0,0|1,1,0]=4 6472 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [2,0,0,0,0,0|1,1,0]=4 6473 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [2,0,0,0,0,0|2,0,0]=4 6474 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 6475 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [2,0,0,0,0,0|2,0,0]=4 6476 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [2,0,0,0,0,0|2,0,0]=4 6477 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [2,0,0,0,0,0|1,0,1]=4 6478 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|1,0,0]=3 6479 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|1,0,0]=3 6480 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|1,0,0]=3 6481 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|1,0,0]=3 6482 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|1,0,0]=3 6483 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|1,0,0]=3 6484 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|1,0,0]=3 6485 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|1,0,0]=3 6486 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|1,0,0]=3 6487 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|1,0,0]=3 6488 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,0]=3 6489 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,0]=3 6490 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|1,0,0]=3 6491 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|1,0,0]=3 6492 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|1,0,0]=3 6493 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|1,0,0]=3 6494 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [2,0,0,0,0,0|2,0,0]=4 6495 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|1,0,0]=3 6496 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|1,0,0]=3 6497 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|1,0,0]=3 6498 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [2,0,0,0,0,0|2,0,0]=4 6499 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [2,0,0,0,0,0|2,0,0]=4 6500 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|1,0,0]=3 6501 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|1,0,0]=3 6502 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|1,0,0]=3 6503 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|1,0,0]=3 6504 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [2,0,0,0,0,0|2,0,0]=4 6505 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [2,0,0,0,0,0|2,0,0]=4 6506 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [2,0,0,0,0,0|2,0,0]=4 6507 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [2,0,0,0,0,0|2,0,0]=4 6508 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [2,0,0,0,0,0|2,0,0]=4 6509 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [2,0,0,0,0,0|2,0,0]=4 6510 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 6511 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [2,0,0,0,0,0|2,0,0]=4 6512 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [2,0,0,0,0,0|2,0,0]=4 6513 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [2,0,0,0,0,0|2,0,0]=4 6514 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [2,0,0,0,0,0|2,0,0]=4 6515 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [2,0,0,0,0,0|2,0,0]=4 6516 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [2,0,0,0,0,0|2,0,0]=4 6517 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [2,0,0,0,0,0|2,0,0]=4 6518 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [2,0,0,0,0,0|2,0,0]=4 6519 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 6520 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 6521 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [2,0,0,0,0,0|2,0,0]=4 6522 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [2,0,0,0,0,0|2,0,0]=4 6523 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [2,0,0,0,0,0|2,0,0]=4 6524 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [2,0,0,0,0,0|2,0,0]=4 6525 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [2,0,0,0,0,0|2,0,0]=4 6526 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [2,0,0,0,0,0|2,0,0]=4 6527 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [2,0,0,0,0,0|2,0,0]=4 6528 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 6529 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 6530 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [2,0,0,0,0,0|2,0,0]=4 6531 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 6532 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [2,0,0,0,0,0|2,0,0]=4 6533 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [2,0,0,0,0,0|2,0,0]=4 6534 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [2,0,0,0,0,0|2,0,0]=4 6535 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [2,0,0,0,0,0|2,0,0]=4 6536 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [2,0,0,0,0,0|2,0,0]=4 6537 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [2,0,0,0,0,0|2,0,0]=4 6538 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [2,0,0,0,0,0|2,0,0]=4 6539 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [2,0,0,0,0,0|2,0,0]=4 6540 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [2,0,0,0,0,0|2,0,0]=4 6541 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [2,0,0,0,0,0|2,0,0]=4 6542 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [2,0,0,0,0,0|2,0,0]=4 6543 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [2,0,0,0,0,0|2,0,0]=4 6544 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [2,0,0,0,0,0|2,0,0]=4 6545 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [2,0,0,0,0,0|2,0,0]=4 6546 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [2,0,0,0,0,0|2,0,0]=4 6547 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [2,0,0,0,0,0|2,0,0]=4 6548 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [2,0,0,0,0,0|2,0,0]=4 6549 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [2,0,0,0,0,0|2,0,0]=4 6550 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [2,0,0,0,0,0|1,1,0]=4 6551 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [2,0,0,0,0,0|1,1,0]=4 6552 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [2,0,0,0,0,0|1,1,0]=4 6553 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [2,0,0,0,0,0|1,1,0]=4 6554 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [2,0,0,0,0,0|1,0,1]=4 6555 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [2,0,0,0,0,0|1,0,1]=4 6556 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [2,0,0,0,0,0|2,0,0]=4 6557 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [2,0,0,0,0,0|2,0,0]=4 6558 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [2,0,0,0,0,0|1,0,1]=4 6559 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [2,0,0,0,0,0|1,0,1]=4 6560 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [2,0,0,0,0,0|1,0,1]=4 6561 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [2,0,0,0,0,0|1,0,1]=4 6562 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [2,0,0,0,0,0|1,0,1]=4 6563 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [2,0,0,0,0,0|1,0,1]=4 6564 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [2,0,0,0,0,0|1,0,1]=4 6565 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [2,0,0,0,0,0|1,0,1]=4 6566 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [2,0,0,0,0,0|1,0,1]=4 6567 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [2,0,0,0,0,0|1,0,1]=4 6568 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [2,0,0,0,0,0|1,0,1]=4 6569 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [2,0,0,0,0,0|1,0,1]=4 6570 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [2,0,0,0,0,0|1,0,1]=4 6571 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [2,0,0,0,0,0|1,0,1]=4 6572 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [2,0,0,0,0,0|1,0,1]=4 6573 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [2,0,0,0,0,0|2,0,0]=4 6574 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [2,0,0,0,0,0|2,0,0]=4 6575 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [2,0,0,0,0,0|2,0,0]=4 6576 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [2,0,0,0,0,0|2,0,0]=4 6577 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [2,0,0,0,0,0|2,0,0]=4 6578 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [2,0,0,0,0,0|2,0,0]=4 6579 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [2,0,0,0,0,0|2,0,0]=4 6580 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [2,0,0,0,0,0|2,0,0]=4 6581 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [2,0,0,0,0,0|2,0,0]=4 6582 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [2,0,0,0,0,0|2,0,0]=4 6583 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [2,0,0,0,0,0|1,0,1]=4 6584 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [2,0,0,0,0,0|1,0,1]=4 6585 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [2,0,0,0,0,0|1,0,1]=4 6586 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [2,0,0,0,0,0|1,0,1]=4 6587 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [2,0,0,0,0,0|1,0,1]=4 6588 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [2,0,0,0,0,0|1,0,1]=4 6589 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [2,0,0,0,0,0|1,0,1]=4 6590 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|0,0,2]=4 6591 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [2,0,0,0,0,0|0,0,2]=4 6592 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [2,0,0,0,0,0|0,0,2]=4 6593 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|0,0,2]=4 6594 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [2,0,0,0,0,0|0,0,2]=4 6595 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [2,0,0,0,0,0|0,0,2]=4 6596 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [2,0,0,0,0,0|0,0,2]=4 6597 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [2,0,0,0,0,0|0,0,2]=4 6598 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [2,0,0,0,0,0|0,0,2]=4 6599 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [2,0,0,0,0,0|1,0,1]=4 6600 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [2,0,0,0,0,0|1,0,1]=4 6601 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,0]=3 6602 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,0]=3 6603 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,0]=3 6604 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|1,0,0]=3 6605 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|1,0,0]=3 6606 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|1,0,0]=3 6607 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [2,0,0,0,0,0|2,0,0]=4 6608 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [2,0,0,0,0,0|2,0,0]=4 6609 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [2,0,0,0,0,0|2,0,0]=4 6610 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [2,0,0,0,0,0|2,0,0]=4 6611 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [2,0,0,0,0,0|2,0,0]=4 6612 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [2,0,0,0,0,0|2,0,0]=4 6613 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [2,0,0,0,0,0|2,0,0]=4 6614 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [2,0,0,0,0,0|2,0,0]=4 6615 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [2,0,0,0,0,0|2,0,0]=4 6616 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [2,0,0,0,0,0|2,0,0]=4 6617 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [2,0,0,0,0,0|2,0,0]=4 6618 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [2,0,0,0,0,0|2,0,0]=4 6619 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 6620 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 6621 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 6622 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 6623 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 6624 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 6625 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [2,0,0,0,0,0|2,0,0]=4 6626 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [2,0,0,0,0,0|2,0,0]=4 6627 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 6628 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 6629 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 6630 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 6631 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 6632 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 6633 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 6634 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 6635 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 6636 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 6637 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 6638 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [2,0,0,0,0,0|2,0,0]=4 6639 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [2,0,0,0,0,0|2,0,0]=4 6640 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|0,0,2]=4 6641 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|0,0,2]=4 6642 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,0]=2 6643 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,0]=2 6644 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|1,0,0]=3 6645 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,0]=3 6646 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 6647 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 6648 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 6649 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 6650 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 6651 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|1,0,1]=4 6652 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 6653 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 6654 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 6655 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [2,0,0,0,0,0|2,0,0]=4 6656 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [2,0,0,0,0,0|2,0,0]=4 6657 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [2,0,0,0,0,0|2,0,0]=4 6658 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [2,0,0,0,0,0|2,0,0]=4 6659 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 6660 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 6661 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 6662 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 6663 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 6664 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 6665 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 6666 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 6667 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 6668 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 6669 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 6670 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 6671 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 6672 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 6673 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|1,0,0]=3 6674 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|1,0,0]=3 6675 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [2,0,0,0,0,0|2,0,0]=4 6676 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 6677 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 6678 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 6679 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 6680 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 6681 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 6682 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|1,0,0]=3 6683 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|1,0,0]=3 6684 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|1,0,0]=3 6685 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|1,0,0]=3 6686 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [2,0,0,0,0,0|2,0,0]=4 6687 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 6688 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 6689 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 6690 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 6691 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 6692 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 6693 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|1,0,0]=3 6694 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|1,0,0]=3 6695 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 6696 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 6697 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 6698 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|1,0,0]=3 6699 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|1,0,0]=3 6700 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|1,0,0]=3 6701 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|2,0,0]=4 6702 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|2,0,0]=4 6703 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 6704 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 6705 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 6706 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 6707 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 6708 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 6709 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|1,0,0]=3 6710 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|1,0,0]=3 6711 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|1,0,0]=3 6712 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [2,0,0,0,0,0|2,0,0]=4 6713 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [2,0,0,0,0,0|2,0,0]=4 6714 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 6715 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 6716 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 6717 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 6718 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 6719 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 6720 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|1,0,0]=3 6721 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|1,0,0]=3 6722 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 6723 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 6724 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 6725 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 6726 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 6727 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 6728 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 6729 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 6730 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 6731 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 6732 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 6733 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 6734 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 6735 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 6736 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 6737 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 6738 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 6739 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 6740 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 6741 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 6742 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 6743 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 6744 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 6745 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|1,0,0]=3 6746 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 6747 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|1,0,0]=3 6748 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|1,0,0]=3 6749 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|1,0,0]=3 6750 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|1,0,0]=3 6751 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [2,0,0,0,0,0|2,0,0]=4 6752 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [2,0,0,0,0,0|2,0,0]=4 6753 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [2,0,0,0,0,0|2,0,0]=4 6754 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [2,0,0,0,0,0|2,0,0]=4 6755 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [2,0,0,0,0,0|2,0,0]=4 6756 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 6757 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [2,0,0,0,0,0|2,0,0]=4 6758 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [2,0,0,0,0,0|2,0,0]=4 6759 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [2,0,0,0,0,0|2,0,0]=4 6760 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 6761 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [2,0,0,0,0,0|2,0,0]=4 6762 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [2,0,0,0,0,0|2,0,0]=4 6763 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [2,0,0,0,0,0|2,0,0]=4 6764 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [2,0,0,0,0,0|2,0,0]=4 6765 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 6766 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [2,0,0,0,0,0|2,0,0]=4 6767 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [2,0,0,0,0,0|2,0,0]=4 6768 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|1,0,0]=3 6769 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [2,0,0,0,0,0|2,0,0]=4 6770 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 6771 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [2,0,0,0,0,0|2,0,0]=4 6772 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [2,0,0,0,0,0|2,0,0]=4 6773 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [2,0,0,0,0,0|2,0,0]=4 6774 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [2,0,0,0,0,0|2,0,0]=4 6775 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [2,0,0,0,0,0|2,0,0]=4 6776 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [2,0,0,0,0,0|2,0,0]=4 6777 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [2,0,0,0,0,0|0,0,2]=4 6778 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [2,0,0,0,0,0|0,0,2]=4 6779 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [2,0,0,0,0,0|0,0,2]=4 6780 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [2,0,0,0,0,0|2,0,0]=4 6781 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [2,0,0,0,0,0|2,0,0]=4 6782 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [2,0,0,0,0,0|2,0,0]=4 6783 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [2,0,0,0,0,0|2,0,0]=4 6784 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [2,0,0,0,0,0|2,0,0]=4 6785 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [2,0,0,0,0,0|2,0,0]=4 6786 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 6787 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [2,0,0,0,0,0|2,0,0]=4 6788 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [2,0,0,0,0,0|2,0,0]=4 6789 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [2,0,0,0,0,0|2,0,0]=4 6790 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [2,0,0,0,0,0|2,0,0]=4 6791 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [2,0,0,0,0,0|0,0,2]=4 6792 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [2,0,0,0,0,0|0,0,2]=4 6793 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [2,0,0,0,0,0|0,0,2]=4 6794 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [2,0,0,0,0,0|1,0,1]=4 6795 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [2,0,0,0,0,0|1,0,0]=3 6796 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [2,0,0,0,0,0|1,0,0]=3 6797 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [2,0,0,0,0,0|1,0,0]=3 6798 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [2,0,0,0,0,0|1,0,0]=3 6799 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [2,0,0,0,0,0|1,0,0]=3 6800 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 6801 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [2,0,0,0,0,0|2,0,0]=4 6802 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [2,0,0,0,0,0|2,0,0]=4 6803 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [2,0,0,0,0,0|2,0,0]=4 6804 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 6805 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [2,0,0,0,0,0|2,0,0]=4 6806 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [2,0,0,0,0,0|2,0,0]=4 6807 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [2,0,0,0,0,0|2,0,0]=4 6808 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 6809 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [2,0,0,0,0,0|2,0,0]=4 6810 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [2,0,0,0,0,0|2,0,0]=4 6811 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [2,0,0,0,0,0|2,0,0]=4 6812 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [2,0,0,0,0,0|2,0,0]=4 6813 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [2,0,0,0,0,0|2,0,0]=4 6814 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [2,0,0,0,0,0|2,0,0]=4 6815 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [2,0,0,0,0,0|2,0,0]=4 6816 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [2,0,0,0,0,0|2,0,0]=4 6817 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [2,0,0,0,0,0|2,0,0]=4 6818 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [2,0,0,0,0,0|2,0,0]=4 6819 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [2,0,0,0,0,0|2,0,0]=4 6820 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [2,0,0,0,0,0|2,0,0]=4 6821 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [2,0,0,0,0,0|2,0,0]=4 6822 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [2,0,0,0,0,0|2,0,0]=4 6823 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [2,0,0,0,0,0|2,0,0]=4 6824 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|0,0,2]=4 6825 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [2,0,0,0,0,0|0,0,2]=4 6826 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [2,0,0,0,0,0|0,0,2]=4 6827 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [2,0,0,0,0,0|0,0,2]=4 6828 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [2,0,0,0,0,0|0,0,2]=4 6829 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [2,0,0,0,0,0|0,0,0]=2 6830 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [2,0,0,0,0,0|0,0,0]=2 6831 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [2,0,0,0,0,0|0,0,0]=2 6832 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [2,0,0,0,0,0|2,0,0]=4 6833 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 6834 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [2,0,0,0,0,0|2,0,0]=4 6835 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [2,0,0,0,0,0|2,0,0]=4 6836 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 6837 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [2,0,0,0,0,0|2,0,0]=4 6838 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 6839 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 6840 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [2,0,0,0,0,0|1,0,0]=3 6841 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [2,0,0,0,0,0|1,0,0]=3 6842 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [2,0,0,0,0,0|2,0,0]=4 6843 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [2,0,0,0,0,0|2,0,0]=4 6844 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [2,0,0,0,0,0|2,0,0]=4 6845 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [2,0,0,0,0,0|1,0,0]=3 6846 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [2,0,0,0,0,0|2,0,0]=4 6847 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [2,0,0,0,0,0|1,0,0]=3 6848 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [2,0,0,0,0,0|1,0,0]=3 6849 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [2,0,0,0,0,0|1,0,0]=3 6850 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 6851 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [2,0,0,0,0,0|2,0,0]=4 6852 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [2,0,0,0,0,0|1,0,0]=3 6853 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [2,0,0,0,0,0|1,0,1]=4 6854 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [2,0,0,0,0,0|1,0,0]=3 6855 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [2,0,0,0,0,0|2,0,0]=4 6856 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [2,0,0,0,0,0|2,0,0]=4 6857 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [2,0,0,0,0,0|1,0,0]=3 6858 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [2,0,0,0,0,0|1,0,1]=4 6859 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [2,0,0,0,0,0|1,0,1]=4 6860 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [2,0,0,0,0,0|2,0,0]=4 6861 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [2,0,0,0,0,0|1,0,0]=3 6862 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 6863 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [2,0,0,0,0,0|1,0,0]=3 6864 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [2,0,0,0,0,0|2,0,0]=4 6865 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 6866 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [2,0,0,0,0,0|2,0,0]=4 6867 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [2,0,0,0,0,0|2,0,0]=4 6868 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [2,0,0,0,0,0|1,0,0]=3 6869 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [2,0,0,0,0,0|1,0,0]=3 6870 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [2,0,0,0,0,0|2,0,0]=4 6871 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [2,0,0,0,0,0|2,0,0]=4 6872 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [2,0,0,0,0,0|2,0,0]=4 6873 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [2,0,0,0,0,0|2,0,0]=4 6874 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [2,0,0,0,0,0|2,0,0]=4 6875 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [2,0,0,0,0,0|2,0,0]=4 6876 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [2,0,0,0,0,0|2,0,0]=4 6877 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [2,0,0,0,0,0|2,0,0]=4 6878 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [2,0,0,0,0,0|1,0,0]=3 6879 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 6880 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [2,0,0,0,0,0|1,0,0]=3 6881 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [2,0,0,0,0,0|1,0,0]=3 6882 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [2,0,0,0,0,0|2,0,0]=4 6883 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 6884 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [2,0,0,0,0,0|2,0,0]=4 6885 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [2,0,0,0,0,0|2,0,0]=4 6886 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [2,0,0,0,0,0|2,0,0]=4 6887 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [2,0,0,0,0,0|2,0,0]=4 6888 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [2,0,0,0,0,0|2,0,0]=4 6889 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [2,0,0,0,0,0|2,0,0]=4 6890 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [2,0,0,0,0,0|1,0,0]=3 6891 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [2,0,0,0,0,0|1,0,0]=3 6892 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [2,0,0,0,0,0|2,0,0]=4 6893 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [2,0,0,0,0,0|2,0,0]=4 6894 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 6895 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 6896 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [2,0,0,0,0,0|2,0,0]=4 6897 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [2,0,0,0,0,0|2,0,0]=4 6898 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [2,0,0,0,0,0|2,0,0]=4 6899 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [2,0,0,0,0,0|2,0,0]=4 6900 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [2,0,0,0,0,0|2,0,0]=4 6901 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [2,0,0,0,0,0|2,0,0]=4 6902 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [2,0,0,0,0,0|1,0,0]=3 6903 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [2,0,0,0,0,0|1,0,0]=3 6904 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [2,0,0,0,0,0|2,0,0]=4 6905 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [2,0,0,0,0,0|2,0,0]=4 6906 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [2,0,0,0,0,0|2,0,0]=4 6907 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [2,0,0,0,0,0|2,0,0]=4 6908 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 6909 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [2,0,0,0,0,0|2,0,0]=4 6910 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [2,0,0,0,0,0|2,0,0]=4 6911 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [2,0,0,0,0,0|2,0,0]=4 6912 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [2,0,0,0,0,0|1,0,0]=3 6913 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [2,0,0,0,0,0|1,0,0]=3 6914 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 6915 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [2,0,0,0,0,0|2,0,0]=4 6916 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 6917 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [2,0,0,0,0,0|2,0,0]=4 6918 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [2,0,0,0,0,0|2,0,0]=4 6919 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [2,0,0,0,0,0|2,0,0]=4 6920 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [2,0,0,0,0,0|2,0,0]=4 6921 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [2,0,0,0,0,0|2,0,0]=4 6922 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [2,0,0,0,0,0|2,0,0]=4 6923 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [2,0,0,0,0,0|2,0,0]=4 6924 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [2,0,0,0,0,0|2,0,0]=4 6925 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [2,0,0,0,0,0|2,0,0]=4 6926 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [2,0,0,0,0,0|2,0,0]=4 6927 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [2,0,0,0,0,0|2,0,0]=4 6928 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [2,0,0,0,0,0|1,0,0]=3 6929 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [2,0,0,0,0,0|1,0,0]=3 6930 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 6931 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 6932 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [2,0,0,0,0,0|2,0,0]=4 6933 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [2,0,0,0,0,0|2,0,0]=4 6934 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [2,0,0,0,0,0|2,0,0]=4 6935 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [2,0,0,0,0,0|2,0,0]=4 6936 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [2,0,0,0,0,0|2,0,0]=4 6937 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [2,0,0,0,0,0|2,0,0]=4 6938 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [2,0,0,0,0,0|2,0,0]=4 6939 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [2,0,0,0,0,0|2,0,0]=4 6940 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [2,0,0,0,0,0|2,0,0]=4 6941 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [2,0,0,0,0,0|2,0,0]=4 6942 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [2,0,0,0,0,0|2,0,0]=4 6943 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [2,0,0,0,0,0|2,0,0]=4 6944 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [2,0,0,0,0,0|2,0,0]=4 6945 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [2,0,0,0,0,0|1,0,0]=3 6946 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [2,0,0,0,0,0|2,0,0]=4 6947 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [2,0,0,0,0,0|2,0,0]=4 6948 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [2,0,0,0,0,0|2,0,0]=4 6949 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 6950 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [2,0,0,0,0,0|2,0,0]=4 6951 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [1,1,0,0,0,0|1,0,1]=4 6952 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 6953 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 6954 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 6955 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [1,1,0,0,0,0|1,0,1]=4 6956 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [1,1,0,0,0,0|1,0,1]=4 6957 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [1,1,0,0,0,0|1,0,1]=4 6958 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [1,1,0,0,0,0|1,0,1]=4 6959 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [1,1,0,0,0,0|0,0,1]=3 6960 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [1,1,0,0,0,0|0,0,1]=3 6961 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,1,0,0,0,0|1,0,0]=3 6962 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,1,0,0,0,0|1,0,0]=3 6963 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [1,1,0,0,0,0|2,0,0]=4 6964 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [1,1,0,0,0,0|2,0,0]=4 6965 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [1,1,0,0,0,0|2,0,0]=4 6966 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [1,1,0,0,0,0|2,0,0]=4 6967 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [1,1,0,0,0,0|2,0,0]=4 6968 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [1,1,0,0,0,0|2,0,0]=4 6969 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [1,1,0,0,0,0|2,0,0]=4 6970 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [1,1,0,0,0,0|2,0,0]=4 6971 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [1,1,0,0,0,0|2,0,0]=4 6972 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [1,1,0,0,0,0|2,0,0]=4 6973 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [1,1,0,0,0,0|2,0,0]=4 6974 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [1,1,0,0,0,0|2,0,0]=4 6975 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [1,1,0,0,0,0|2,0,0]=4 6976 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 6977 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 6978 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 6979 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [1,1,0,0,0,0|2,0,0]=4 6980 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 6981 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 6982 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 6983 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 6984 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 6985 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [1,1,0,0,0,0|2,0,0]=4 6986 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [1,1,0,0,0,0|2,0,0]=4 6987 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [1,1,0,0,0,0|2,0,0]=4 6988 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [1,1,0,0,0,0|2,0,0]=4 6989 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [1,1,0,0,0,0|1,0,0]=3 6990 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [1,1,0,0,0,0|1,0,0]=3 6991 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [1,1,0,0,0,0|1,0,0]=3 6992 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [1,1,0,0,0,0|1,0,0]=3 6993 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [1,1,0,0,0,0|1,0,0]=3 6994 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [1,1,0,0,0,0|1,0,0]=3 6995 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [1,1,0,0,0,0|1,0,0]=3 6996 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 6997 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 6998 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 6999 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [1,1,0,0,0,0|1,0,1]=4 7000 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 7001 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 7002 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 7003 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [1,1,0,0,0,0|1,0,0]=3 7004 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [1,1,0,0,0,0|1,0,1]=4 7005 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [1,1,0,0,0,0|1,0,1]=4 7006 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [1,1,0,0,0,0|1,0,1]=4 7007 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [1,1,0,0,0,0|1,0,1]=4 7008 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [1,1,0,0,0,0|1,0,1]=4 7009 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [1,1,0,0,0,0|1,0,1]=4 7010 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [1,1,0,0,0,0|1,0,1]=4 7011 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [1,1,0,0,0,0|1,0,1]=4 7012 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [1,1,0,0,0,0|1,0,1]=4 7013 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [1,1,0,0,0,0|1,0,0]=3 7014 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [1,1,0,0,0,0|1,0,0]=3 7015 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [1,1,0,0,0,0|2,0,0]=4 7016 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [1,1,0,0,0,0|2,0,0]=4 7017 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [1,1,0,0,0,0|2,0,0]=4 7018 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [1,1,0,0,0,0|2,0,0]=4 7019 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [1,1,0,0,0,0|2,0,0]=4 7020 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [1,1,0,0,0,0|2,0,0]=4 7021 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [1,1,0,0,0,0|2,0,0]=4 7022 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [1,1,0,0,0,0|2,0,0]=4 7023 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [1,1,0,0,0,0|1,0,0]=3 7024 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [1,1,0,0,0,0|2,0,0]=4 7025 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [1,1,0,0,0,0|1,0,0]=3 7026 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [1,1,0,0,0,0|1,0,0]=3 7027 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [1,1,0,0,0,0|1,0,0]=3 7028 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [1,1,0,0,0,0|1,0,0]=3 7029 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [1,1,0,0,0,0|1,0,0]=3 7030 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [1,1,0,0,0,0|1,0,0]=3 7031 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [1,1,0,0,0,0|1,0,0]=3 7032 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [1,1,0,0,0,0|2,0,0]=4 7033 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [1,1,0,0,0,0|2,0,0]=4 7034 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [1,1,0,0,0,0|1,0,1]=4 7035 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [1,1,0,0,0,0|1,0,1]=4 7036 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [1,1,0,0,0,0|1,0,1]=4 7037 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [1,1,0,0,0,0|1,0,1]=4 7038 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [1,1,0,0,0,0|1,0,1]=4 7039 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [1,1,0,0,0,0|2,0,0]=4 7040 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [1,1,0,0,0,0|2,0,0]=4 7041 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [1,1,0,0,0,0|2,0,0]=4 7042 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [1,1,0,0,0,0|2,0,0]=4 7043 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [1,1,0,0,0,0|1,0,1]=4 7044 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [1,1,0,0,0,0|1,0,1]=4 7045 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|1,0,1]=4 7046 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,1,0,0,0,0|1,0,0]=3 7047 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,1,0,0,0,0|1,0,0]=3 7048 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,1,0,0,0,0|1,0,0]=3 7049 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [1,1,0,0,0,0|2,0,0]=4 7050 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [1,1,0,0,0,0|2,0,0]=4 7051 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [1,1,0,0,0,0|2,0,0]=4 7052 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [1,1,0,0,0,0|2,0,0]=4 7053 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [1,1,0,0,0,0|2,0,0]=4 7054 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [1,1,0,0,0,0|2,0,0]=4 7055 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [1,1,0,0,0,0|2,0,0]=4 7056 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [1,1,0,0,0,0|2,0,0]=4 7057 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [1,1,0,0,0,0|2,0,0]=4 7058 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [1,1,0,0,0,0|2,0,0]=4 7059 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [1,1,0,0,0,0|2,0,0]=4 7060 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [1,1,0,0,0,0|2,0,0]=4 7061 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [1,1,0,0,0,0|2,0,0]=4 7062 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [1,1,0,0,0,0|2,0,0]=4 7063 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [1,1,0,0,0,0|2,0,0]=4 7064 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [1,1,0,0,0,0|2,0,0]=4 7065 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [1,1,0,0,0,0|2,0,0]=4 7066 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [1,1,0,0,0,0|2,0,0]=4 7067 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|1,0,1]=4 7068 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|1,0,1]=4 7069 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 7070 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 7071 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 7072 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [1,1,0,0,0,0|1,0,0]=3 7073 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [1,1,0,0,0,0|2,0,0]=4 7074 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [1,1,0,0,0,0|2,0,0]=4 7075 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [1,1,0,0,0,0|2,0,0]=4 7076 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [1,1,0,0,0,0|2,0,0]=4 7077 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [1,1,0,0,0,0|2,0,0]=4 7078 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [1,1,0,0,0,0|2,0,0]=4 7079 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 7080 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [1,1,0,0,0,0|2,0,0]=4 7081 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [1,1,0,0,0,0|2,0,0]=4 7082 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 7083 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 7084 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [1,1,0,0,0,0|2,0,0]=4 7085 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 7086 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [1,1,0,0,0,0|2,0,0]=4 7087 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [1,1,0,0,0,0|2,0,0]=4 7088 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 7089 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 7090 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [1,1,0,0,0,0|2,0,0]=4 7091 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 7092 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [1,1,0,0,0,0|2,0,0]=4 7093 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [1,1,0,0,0,0|2,0,0]=4 7094 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [1,1,0,0,0,0|2,0,0]=4 7095 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [1,1,0,0,0,0|2,0,0]=4 7096 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [1,1,0,0,0,0|2,0,0]=4 7097 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [1,1,0,0,0,0|2,0,0]=4 7098 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [1,1,0,0,0,0|2,0,0]=4 7099 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [1,1,0,0,0,0|2,0,0]=4 7100 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [1,1,0,0,0,0|2,0,0]=4 7101 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 7102 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 7103 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 7104 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 7105 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 7106 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 7107 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [1,1,0,0,0,0|2,0,0]=4 7108 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [1,1,0,0,0,0|2,0,0]=4 7109 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [1,1,0,0,0,0|2,0,0]=4 7110 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [1,1,0,0,0,0|2,0,0]=4 7111 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|0,0,1]=3 7112 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|0,0,1]=3 7113 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|0,0,1]=3 7114 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [1,1,0,0,0,0|1,0,0]=3 7115 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [1,1,0,0,0,0|1,0,0]=3 7116 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [1,1,0,0,0,0|1,0,1]=4 7117 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [1,1,0,0,0,0|1,0,0]=3 7118 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [1,1,0,0,0,0|1,0,0]=3 7119 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [1,1,0,0,0,0|1,0,0]=3 7120 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [1,1,0,0,0,0|1,0,0]=3 7121 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [1,1,0,0,0,0|1,0,0]=3 7122 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [1,1,0,0,0,0|1,0,0]=3 7123 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [1,1,0,0,0,0|1,0,0]=3 7124 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [1,1,0,0,0,0|1,0,0]=3 7125 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [1,1,0,0,0,0|1,0,0]=3 7126 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [1,1,0,0,0,0|2,0,0]=4 7127 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [1,1,0,0,0,0|1,0,1]=4 7128 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [1,1,0,0,0,0|1,0,0]=3 7129 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [1,1,0,0,0,0|1,0,0]=3 7130 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [1,1,0,0,0,0|1,0,0]=3 7131 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [1,1,0,0,0,0|2,0,0]=4 7132 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [1,1,0,0,0,0|1,0,0]=3 7133 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [1,1,0,0,0,0|1,0,0]=3 7134 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [1,1,0,0,0,0|1,0,0]=3 7135 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [1,1,0,0,0,0|1,0,0]=3 7136 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [1,1,0,0,0,0|1,0,0]=3 7137 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [1,1,0,0,0,0|1,0,0]=3 7138 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [1,1,0,0,0,0|2,0,0]=4 7139 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [1,1,0,0,0,0|2,0,0]=4 7140 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [1,1,0,0,0,0|1,0,0]=3 7141 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [1,1,0,0,0,0|1,0,0]=3 7142 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [1,1,0,0,0,0|1,0,1]=4 7143 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [1,1,0,0,0,0|2,0,0]=4 7144 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [1,1,0,0,0,0|2,0,0]=4 7145 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [1,1,0,0,0,0|1,0,1]=4 7146 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [1,1,0,0,0,0|1,0,1]=4 7147 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [1,1,0,0,0,0|2,0,0]=4 7148 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [1,1,0,0,0,0|2,0,0]=4 7149 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [1,1,0,0,0,0|2,0,0]=4 7150 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [1,1,0,0,0,0|2,0,0]=4 7151 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [1,1,0,0,0,0|2,0,0]=4 7152 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [1,1,0,0,0,0|2,0,0]=4 7153 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|1,0,1]=4 7154 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [1,1,0,0,0,0|2,0,0]=4 7155 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [1,1,0,0,0,0|2,0,0]=4 7156 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [1,1,0,0,0,0|2,0,0]=4 7157 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [1,1,0,0,0,0|2,0,0]=4 7158 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [1,1,0,0,0,0|2,0,0]=4 7159 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [1,1,0,0,0,0|2,0,0]=4 7160 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [1,1,0,0,0,0|2,0,0]=4 7161 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [1,1,0,0,0,0|2,0,0]=4 7162 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [1,1,0,0,0,0|2,0,0]=4 7163 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [1,1,0,0,0,0|2,0,0]=4 7164 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [1,1,0,0,0,0|2,0,0]=4 7165 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [1,1,0,0,0,0|2,0,0]=4 7166 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [1,1,0,0,0,0|2,0,0]=4 7167 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [1,1,0,0,0,0|2,0,0]=4 7168 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [1,1,0,0,0,0|2,0,0]=4 7169 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [1,1,0,0,0,0|2,0,0]=4 7170 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,1,0,0,0,0|1,0,1]=4 7171 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [1,1,0,0,0,0|1,0,1]=4 7172 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [1,1,0,0,0,0|1,0,1]=4 7173 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|1,0,1]=4 7174 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,1,0,0,0,0|1,0,0]=3 7175 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,1,0,0,0,0|1,0,0]=3 7176 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,1,0,0,0,0|1,0,0]=3 7177 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [1,1,0,0,0,0|2,0,0]=4 7178 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [1,1,0,0,0,0|2,0,0]=4 7179 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [1,1,0,0,0,0|2,0,0]=4 7180 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [1,1,0,0,0,0|2,0,0]=4 7181 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,1,0,0,0,0|1,0,0]=3 7182 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [1,1,0,0,0,0|2,0,0]=4 7183 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 7184 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 7185 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 7186 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 7187 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,1,0,0,0,0|1,0,1]=4 7188 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 7189 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 7190 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [1,1,0,0,0,0|2,0,0]=4 7191 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [1,1,0,0,0,0|2,0,0]=4 7192 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [1,1,0,0,0,0|2,0,0]=4 7193 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [1,1,0,0,0,0|2,0,0]=4 7194 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [1,1,0,0,0,0|2,0,0]=4 7195 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [1,1,0,0,0,0|2,0,0]=4 7196 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 7197 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 7198 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [1,1,0,0,0,0|2,0,0]=4 7199 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 7200 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [1,1,0,0,0,0|2,0,0]=4 7201 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [1,1,0,0,0,0|2,0,0]=4 7202 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,1,0,0,0,0|2,0,0]=4 7203 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 7204 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 7205 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 7206 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [1,1,0,0,0,0|2,0,0]=4 7207 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 7208 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [1,1,0,0,0,0|1,0,0]=3 7209 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [1,1,0,0,0,0|2,0,0]=4 7210 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [1,1,0,0,0,0|2,0,0]=4 7211 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 7212 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 7213 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 7214 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 7215 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [1,1,0,0,0,0|2,0,0]=4 7216 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [1,1,0,0,0,0|2,0,0]=4 7217 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [1,1,0,0,0,0|1,0,0]=3 7218 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [1,1,0,0,0,0|1,0,0]=3 7219 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [1,1,0,0,0,0|2,0,0]=4 7220 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [1,1,0,0,0,0|1,0,0]=3 7221 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [1,1,0,0,0,0|2,0,0]=4 7222 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [1,1,0,0,0,0|2,0,0]=4 7223 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [1,1,0,0,0,0|2,0,0]=4 7224 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [1,1,0,0,0,0|2,0,0]=4 7225 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 7226 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 7227 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 7228 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 7229 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [1,1,0,0,0,0|2,0,0]=4 7230 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [1,1,0,0,0,0|2,0,0]=4 7231 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [1,1,0,0,0,0|2,0,0]=4 7232 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [1,1,0,0,0,0|2,0,0]=4 7233 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 7234 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 7235 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 7236 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 7237 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [1,1,0,0,0,0|2,0,0]=4 7238 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [1,1,0,0,0,0|2,0,0]=4 7239 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [1,1,0,0,0,0|1,0,0]=3 7240 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [1,1,0,0,0,0|1,0,0]=3 7241 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [1,1,0,0,0,0|2,0,0]=4 7242 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [1,1,0,0,0,0|2,0,0]=4 7243 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [1,1,0,0,0,0|2,0,0]=4 7244 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [1,1,0,0,0,0|2,0,0]=4 7245 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [1,1,0,0,0,0|2,0,0]=4 7246 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [1,1,0,0,0,0|2,0,0]=4 7247 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 7248 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 7249 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 7250 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 7251 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [1,1,0,0,0,0|2,0,0]=4 7252 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [1,1,0,0,0,0|2,0,0]=4 7253 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [1,1,0,0,0,0|2,0,0]=4 7254 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [1,1,0,0,0,0|2,0,0]=4 7255 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 7256 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 7257 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 7258 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 7259 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [1,1,0,0,0,0|2,0,0]=4 7260 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [1,1,0,0,0,0|2,0,0]=4 7261 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [1,1,0,0,0,0|2,0,0]=4 7262 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [1,1,0,0,0,0|2,0,0]=4 7263 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [1,1,0,0,0,0|1,0,1]=4 7264 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [1,1,0,0,0,0|1,0,1]=4 7265 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [1,1,0,0,0,0|1,0,1]=4 7266 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [1,1,0,0,0,0|1,0,1]=4 7267 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [1,1,0,0,0,0|1,0,1]=4 7268 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,1,0,0,0,0|2,0,0]=4 7269 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [1,1,0,0,0,0|1,0,1]=4 7270 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|1,0,0]=3 7271 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|1,0,0]=3 7272 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [1,1,0,0,0,0|2,0,0]=4 7273 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,1,0,0,0,0|2,0,0]=4 7274 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,1,0,0,0,0|2,0,0]=4 7275 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [1,1,0,0,0,0|2,0,0]=4 7276 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [1,1,0,0,0,0|2,0,0]=4 7277 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 7278 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 7279 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 7280 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [1,1,0,0,0,0|2,0,0]=4 7281 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|1,0,0]=3 7282 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,1,0,0,0,0|2,0,0]=4 7283 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,1,0,0,0,0|2,0,0]=4 7284 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,1,0,0,0,0|1,0,0]=3 7285 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,1,0,0,0,0|1,0,0]=3 7286 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [1,1,0,0,0,0|2,0,0]=4 7287 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [1,1,0,0,0,0|2,0,0]=4 7288 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [1,1,0,0,0,0|2,0,0]=4 7289 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [1,1,0,0,0,0|2,0,0]=4 7290 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [1,1,0,0,0,0|2,0,0]=4 7291 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 7292 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 7293 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 7294 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 7295 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 7296 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 7297 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 7298 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [1,1,0,0,0,0|1,1,0]=4 7299 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [1,1,0,0,0,0|2,0,0]=4 7300 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,1,0,0,0,0|1,0,0]=3 7301 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,1,0,0,0,0|1,0,0]=3 7302 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,1,0,0,0,0|1,0,0]=3 7303 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [1,1,0,0,0,0|2,0,0]=4 7304 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [1,1,0,0,0,0|2,0,0]=4 7305 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,1,0,0,0,0|1,0,0]=3 7306 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,1,0,0,0,0|1,0,0]=3 7307 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,1,0,0,0,0|1,0,0]=3 7308 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,1,0,0,0,0|1,0,0]=3 7309 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [1,1,0,0,0,0|2,0,0]=4 7310 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [1,1,0,0,0,0|1,0,1]=4 7311 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [1,1,0,0,0,0|1,0,1]=4 7312 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [1,1,0,0,0,0|2,0,0]=4 7313 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [1,1,0,0,0,0|2,0,0]=4 7314 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [1,1,0,0,0,0|2,0,0]=4 7315 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [1,1,0,0,0,0|2,0,0]=4 7316 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [1,1,0,0,0,0|2,0,0]=4 7317 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [1,1,0,0,0,0|2,0,0]=4 7318 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [1,1,0,0,0,0|2,0,0]=4 7319 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [1,1,0,0,0,0|2,0,0]=4 7320 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [1,1,0,0,0,0|2,0,0]=4 7321 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [1,1,0,0,0,0|2,0,0]=4 7322 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [1,1,0,0,0,0|2,0,0]=4 7323 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [1,1,0,0,0,0|2,0,0]=4 7324 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [1,1,0,0,0,0|2,0,0]=4 7325 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [1,1,0,0,0,0|2,0,0]=4 7326 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [1,1,0,0,0,0|2,0,0]=4 7327 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [1,1,0,0,0,0|2,0,0]=4 7328 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [1,1,0,0,0,0|2,0,0]=4 7329 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [1,1,0,0,0,0|2,0,0]=4 7330 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [1,1,0,0,0,0|2,0,0]=4 7331 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [1,1,0,0,0,0|2,0,0]=4 7332 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [1,1,0,0,0,0|2,0,0]=4 7333 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [1,1,0,0,0,0|2,0,0]=4 7334 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [1,1,0,0,0,0|2,0,0]=4 7335 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [1,1,0,0,0,0|2,0,0]=4 7336 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [1,1,0,0,0,0|2,0,0]=4 7337 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [1,1,0,0,0,0|2,0,0]=4 7338 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [1,1,0,0,0,0|2,0,0]=4 7339 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [1,1,0,0,0,0|2,0,0]=4 7340 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [1,1,0,0,0,0|1,0,1]=4 7341 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [1,1,0,0,0,0|1,0,1]=4 7342 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [1,1,0,0,0,0|1,0,1]=4 7343 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [1,1,0,0,0,0|1,0,1]=4 7344 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [1,1,0,0,0,0|1,0,1]=4 7345 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [1,1,0,0,0,0|1,0,1]=4 7346 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [1,1,0,0,0,0|1,0,1]=4 7347 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [1,1,0,0,0,0|2,0,0]=4 7348 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [1,1,0,0,0,0|2,0,0]=4 7349 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [1,1,0,0,0,0|2,0,0]=4 7350 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [1,1,0,0,0,0|2,0,0]=4 7351 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [1,1,0,0,0,0|2,0,0]=4 7352 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [1,1,0,0,0,0|2,0,0]=4 7353 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [1,1,0,0,0,0|2,0,0]=4 7354 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [1,1,0,0,0,0|2,0,0]=4 7355 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [1,1,0,0,0,0|2,0,0]=4 7356 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,1,0,0,0,0|2,0,0]=4 7357 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|1,0,0]=3 7358 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|1,0,0]=3 7359 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,1,0,0,0,0|2,0,0]=4 7360 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [1,1,0,0,0,0|2,0,0]=4 7361 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|1,0,0]=3 7362 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|2,0,0]=4 7363 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 7364 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 7365 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 7366 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 7367 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [1,1,0,0,0,0|2,0,0]=4 7368 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [1,1,0,0,0,0|2,0,0]=4 7369 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [1,1,0,0,0,0|2,0,0]=4 7370 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [1,1,0,0,0,0|2,0,0]=4 7371 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [1,1,0,0,0,0|2,0,0]=4 7372 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 7373 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 7374 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,1,0,0,0,0|2,0,0]=4 7375 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 7376 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 7377 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 7378 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [1,1,0,0,0,0|2,0,0]=4 7379 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 7380 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [1,1,0,0,0,0|2,0,0]=4 7381 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 7382 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 7383 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 7384 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 7385 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [1,1,0,0,0,0|2,0,0]=4 7386 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [1,1,0,0,0,0|2,0,0]=4 7387 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [1,1,0,0,0,0|2,0,0]=4 7388 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 7389 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 7390 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 7391 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 7392 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 7393 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 7394 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 7395 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 7396 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,1,0,0,0,0|2,0,0]=4 7397 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,1,0,0,0,0|2,0,0]=4 7398 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|2,0,0]=4 7399 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 7400 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 7401 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 7402 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 7403 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [1,1,0,0,0,0|2,0,0]=4 7404 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [1,1,0,0,0,0|2,0,0]=4 7405 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [1,1,0,0,0,0|2,0,0]=4 7406 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 7407 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 7408 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 7409 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 7410 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [1,1,0,0,0,0|1,0,1]=4 7411 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [1,1,0,0,0,0|1,0,1]=4 7412 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [1,1,0,0,0,0|0,0,2]=4 7413 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [1,1,0,0,0,0|1,0,1]=4 7414 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [1,1,0,0,0,0|1,0,1]=4 7415 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [1,1,0,0,0,0|1,0,1]=4 7416 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [1,1,0,0,0,0|1,0,1]=4 7417 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [1,1,0,0,0,0|1,0,1]=4 7418 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [1,1,0,0,0,0|2,0,0]=4 7419 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [1,1,0,0,0,0|2,0,0]=4 7420 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [1,1,0,0,0,0|2,0,0]=4 7421 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [1,1,0,0,0,0|1,0,1]=4 7422 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [1,1,0,0,0,0|1,0,1]=4 7423 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [1,1,0,0,0,0|0,0,2]=4 7424 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 7425 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 7426 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [1,1,0,0,0,0|1,0,1]=4 7427 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [1,1,0,0,0,0|1,0,1]=4 7428 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [1,1,0,0,0,0|1,0,1]=4 7429 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [1,1,0,0,0,0|1,0,1]=4 7430 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [1,1,0,0,0,0|1,0,1]=4 7431 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [1,1,0,0,0,0|0,0,2]=4 7432 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [1,1,0,0,0,0|1,0,1]=4 7433 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [1,1,0,0,0,0|1,0,1]=4 7434 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [1,1,0,0,0,0|1,0,1]=4 7435 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [1,1,0,0,0,0|1,0,0]=3 7436 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [1,1,0,0,0,0|2,0,0]=4 7437 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [1,1,0,0,0,0|2,0,0]=4 7438 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [1,1,0,0,0,0|2,0,0]=4 7439 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [1,1,0,0,0,0|2,0,0]=4 7440 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [1,1,0,0,0,0|2,0,0]=4 7441 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [1,1,0,0,0,0|0,0,2]=4 7442 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [1,1,0,0,0,0|1,0,0]=3 7443 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [1,1,0,0,0,0|2,0,0]=4 7444 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [1,1,0,0,0,0|2,0,0]=4 7445 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [1,1,0,0,0,0|2,0,0]=4 7446 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [1,1,0,0,0,0|2,0,0]=4 7447 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [1,1,0,0,0,0|2,0,0]=4 7448 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 7449 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 7450 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [1,1,0,0,0,0|2,0,0]=4 7451 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [1,1,0,0,0,0|2,0,0]=4 7452 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [1,1,0,0,0,0|2,0,0]=4 7453 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [1,1,0,0,0,0|2,0,0]=4 7454 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [1,1,0,0,0,0|2,0,0]=4 7455 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [1,1,0,0,0,0|2,0,0]=4 7456 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [1,1,0,0,0,0|2,0,0]=4 7457 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [1,1,0,0,0,0|2,0,0]=4 7458 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [1,1,0,0,0,0|2,0,0]=4 7459 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [1,1,0,0,0,0|2,0,0]=4 7460 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [1,1,0,0,0,0|2,0,0]=4 7461 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [1,1,0,0,0,0|2,0,0]=4 7462 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [1,1,0,0,0,0|2,0,0]=4 7463 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [1,1,0,0,0,0|2,0,0]=4 7464 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [1,1,0,0,0,0|1,0,1]=4 7465 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [1,1,0,0,0,0|1,0,1]=4 7466 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [1,1,0,0,0,0|1,0,1]=4 7467 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [1,1,0,0,0,0|1,0,1]=4 7468 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [1,1,0,0,0,0|1,0,0]=3 7469 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [1,1,0,0,0,0|1,0,0]=3 7470 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [1,1,0,0,0,0|1,0,0]=3 7471 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [1,1,0,0,0,0|1,0,0]=3 7472 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [1,1,0,0,0,0|1,0,0]=3 7473 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [1,1,0,0,0,0|1,0,0]=3 7474 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [1,1,0,0,0,0|1,0,0]=3 7475 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [1,1,0,0,0,0|1,0,0]=3 7476 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [1,1,0,0,0,0|1,0,0]=3 7477 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [1,1,0,0,0,0|0,0,0]=2 7478 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [1,1,0,0,0,0|0,0,0]=2 7479 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [1,1,0,0,0,0|0,1,0]=3 7480 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [1,1,0,0,0,0|0,1,0]=3 7481 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [1,1,0,0,0,0|0,1,0]=3 7482 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [1,1,0,0,0,0|1,1,0]=4 7483 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [1,1,0,0,0,0|1,1,0]=4 7484 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [1,1,0,0,0,0|1,0,1]=4 7485 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [1,1,0,0,0,0|1,0,1]=4 7486 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 7487 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 7488 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 7489 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [1,1,0,0,0,0|1,0,0]=3 7490 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 7491 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 7492 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 7493 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [1,1,0,0,0,0|1,0,0]=3 7494 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [1,1,0,0,0,0|1,0,0]=3 7495 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [1,1,0,0,0,0|1,0,0]=3 7496 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [1,1,0,0,0,0|1,0,0]=3 7497 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [1,1,0,0,0,0|1,0,1]=4 7498 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [1,1,0,0,0,0|1,0,1]=4 7499 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 7500 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [1,1,0,0,0,0|1,0,1]=4 7501 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [1,1,0,0,0,0|1,0,1]=4 7502 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [1,1,0,0,0,0|1,0,1]=4 7503 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [1,1,0,0,0,0|1,0,1]=4 7504 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [1,1,0,0,0,0|1,0,1]=4 7505 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [1,1,0,0,0,0|1,0,1]=4 7506 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [1,1,0,0,0,0|1,0,1]=4 7507 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [1,1,0,0,0,0|2,0,0]=4 7508 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [1,1,0,0,0,0|2,0,0]=4 7509 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [1,1,0,0,0,0|2,0,0]=4 7510 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [1,1,0,0,0,0|2,0,0]=4 7511 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [1,1,0,0,0,0|2,0,0]=4 7512 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [1,1,0,0,0,0|2,0,0]=4 7513 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [1,1,0,0,0,0|2,0,0]=4 7514 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [1,1,0,0,0,0|2,0,0]=4 7515 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [1,1,0,0,0,0|2,0,0]=4 7516 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [1,1,0,0,0,0|2,0,0]=4 7517 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [1,1,0,0,0,0|2,0,0]=4 7518 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [1,1,0,0,0,0|2,0,0]=4 7519 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [1,1,0,0,0,0|2,0,0]=4 7520 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [1,1,0,0,0,0|2,0,0]=4 7521 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7522 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7523 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7524 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [1,1,0,0,0,0|1,0,0]=3 7525 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [1,1,0,0,0,0|1,0,0]=3 7526 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [1,1,0,0,0,0|1,1,0]=4 7527 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [1,1,0,0,0,0|1,1,0]=4 7528 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [1,1,0,0,0,0|1,1,0]=4 7529 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [1,1,0,0,0,0|1,1,0]=4 7530 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [1,1,0,0,0,0|1,1,0]=4 7531 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [1,1,0,0,0,0|1,1,0]=4 7532 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [1,1,0,0,0,0|2,0,0]=4 7533 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [1,1,0,0,0,0|2,0,0]=4 7534 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [1,1,0,0,0,0|2,0,0]=4 7535 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [1,1,0,0,0,0|2,0,0]=4 7536 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [1,1,0,0,0,0|2,0,0]=4 7537 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [1,1,0,0,0,0|2,0,0]=4 7538 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7539 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7540 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [1,1,0,0,0,0|2,0,0]=4 7541 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [1,1,0,0,0,0|2,0,0]=4 7542 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7543 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7544 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [1,1,0,0,0,0|2,0,0]=4 7545 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [1,1,0,0,0,0|2,0,0]=4 7546 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 7547 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [1,1,0,0,0,0|2,0,0]=4 7548 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [1,1,0,0,0,0|2,0,0]=4 7549 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [1,1,0,0,0,0|2,0,0]=4 7550 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [1,1,0,0,0,0|1,0,0]=3 7551 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [1,1,0,0,0,0|1,1,0]=4 7552 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [1,1,0,0,0,0|1,1,0]=4 7553 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [1,1,0,0,0,0|2,0,0]=4 7554 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 7555 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [1,1,0,0,0,0|2,0,0]=4 7556 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 7557 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 7558 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 7559 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [1,1,0,0,0,0|2,0,0]=4 7560 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 7561 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 7562 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 7563 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [1,1,0,0,0,0|2,0,0]=4 7564 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [1,1,0,0,0,0|2,0,0]=4 7565 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [1,1,0,0,0,0|2,0,0]=4 7566 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [1,1,0,0,0,0|2,0,0]=4 7567 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [1,1,0,0,0,0|2,0,0]=4 7568 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 7569 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 7570 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 7571 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [1,1,0,0,0,0|2,0,0]=4 7572 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 7573 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 7574 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 7575 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [1,1,0,0,0,0|2,0,0]=4 7576 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 7577 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 7578 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 7579 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [1,1,0,0,0,0|2,0,0]=4 7580 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [1,1,0,0,0,0|2,0,0]=4 7581 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 7582 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 7583 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 7584 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [1,1,0,0,0,0|2,0,0]=4 7585 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [1,1,0,0,0,0|2,0,0]=4 7586 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [1,1,0,0,0,0|2,0,0]=4 7587 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [1,1,0,0,0,0|2,0,0]=4 7588 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [1,1,0,0,0,0|2,0,0]=4 7589 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [1,1,0,0,0,0|2,0,0]=4 7590 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [1,1,0,0,0,0|2,0,0]=4 7591 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [1,1,0,0,0,0|2,0,0]=4 7592 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [1,1,0,0,0,0|2,0,0]=4 7593 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [1,1,0,0,0,0|2,0,0]=4 7594 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [1,1,0,0,0,0|2,0,0]=4 7595 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [1,1,0,0,0,0|1,0,0]=3 7596 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [1,1,0,0,0,0|1,0,0]=3 7597 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [1,1,0,0,0,0|2,0,0]=4 7598 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [1,1,0,0,0,0|2,0,0]=4 7599 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [1,1,0,0,0,0|2,0,0]=4 7600 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [1,1,0,0,0,0|2,0,0]=4 7601 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [1,1,0,0,0,0|2,0,0]=4 7602 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [1,1,0,0,0,0|2,0,0]=4 7603 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [1,1,0,0,0,0|2,0,0]=4 7604 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [1,1,0,0,0,0|2,0,0]=4 7605 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [1,1,0,0,0,0|2,0,0]=4 7606 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [1,1,0,0,0,0|2,0,0]=4 7607 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [1,1,0,0,0,0|2,0,0]=4 7608 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [1,1,0,0,0,0|2,0,0]=4 7609 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [1,1,0,0,0,0|2,0,0]=4 7610 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [1,1,0,0,0,0|2,0,0]=4 7611 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 7612 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 7613 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 7614 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [1,1,0,0,0,0|2,0,0]=4 7615 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [1,1,0,0,0,0|2,0,0]=4 7616 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [1,1,0,0,0,0|2,0,0]=4 7617 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [1,1,0,0,0,0|2,0,0]=4 7618 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [1,1,0,0,0,0|1,0,0]=3 7619 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [1,1,0,0,0,0|2,0,0]=4 7620 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [1,1,0,0,0,0|2,0,0]=4 7621 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [1,1,0,0,0,0|2,0,0]=4 7622 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [1,1,0,0,0,0|2,0,0]=4 7623 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 7624 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 7625 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 7626 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [1,1,0,0,0,0|2,0,0]=4 7627 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [1,1,0,0,0,0|2,0,0]=4 7628 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [1,1,0,0,0,0|2,0,0]=4 7629 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [1,1,0,0,0,0|2,0,0]=4 7630 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [1,1,0,0,0,0|2,0,0]=4 7631 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [1,1,0,0,0,0|2,0,0]=4 7632 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [1,1,0,0,0,0|2,0,0]=4 7633 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [1,1,0,0,0,0|2,0,0]=4 7634 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [1,1,0,0,0,0|1,0,1]=4 7635 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [1,1,0,0,0,0|1,0,0]=3 7636 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [1,1,0,0,0,0|1,0,0]=3 7637 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [1,1,0,0,0,0|1,0,0]=3 7638 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [1,1,0,0,0,0|1,0,0]=3 7639 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 7640 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 7641 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 7642 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [1,1,0,0,0,0|2,0,0]=4 7643 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 7644 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [1,1,0,0,0,0|2,0,0]=4 7645 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 7646 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 7647 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [1,1,0,0,0,0|2,0,0]=4 7648 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [1,1,0,0,0,0|2,0,0]=4 7649 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 7650 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 7651 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 7652 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [1,1,0,0,0,0|2,0,0]=4 7653 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [1,1,0,0,0,0|2,0,0]=4 7654 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [1,1,0,0,0,0|2,0,0]=4 7655 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [1,1,0,0,0,0|2,0,0]=4 7656 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [1,1,0,0,0,0|2,0,0]=4 7657 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [1,1,0,0,0,0|2,0,0]=4 7658 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [1,1,0,0,0,0|2,0,0]=4 7659 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [1,1,0,0,0,0|2,0,0]=4 7660 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [1,1,0,0,0,0|1,0,0]=3 7661 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [1,1,0,0,0,0|1,1,0]=4 7662 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 7663 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 7664 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 7665 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [1,1,0,0,0,0|2,0,0]=4 7666 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [1,1,0,0,0,0|2,0,0]=4 7667 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [1,1,0,0,0,0|2,0,0]=4 7668 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [1,1,0,0,0,0|1,1,0]=4 7669 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [1,1,0,0,0,0|1,1,0]=4 7670 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [1,1,0,0,0,0|1,1,0]=4 7671 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [1,1,0,0,0,0|2,0,0]=4 7672 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [1,1,0,0,0,0|2,0,0]=4 7673 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [1,1,0,0,0,0|2,0,0]=4 7674 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [1,1,0,0,0,0|2,0,0]=4 7675 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [1,1,0,0,0,0|2,0,0]=4 7676 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [1,1,0,0,0,0|2,0,0]=4 7677 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [1,1,0,0,0,0|1,1,0]=4 7678 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 7679 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 7680 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 7681 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [1,1,0,0,0,0|2,0,0]=4 7682 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [1,1,0,0,0,0|2,0,0]=4 7683 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [1,1,0,0,0,0|2,0,0]=4 7684 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [1,1,0,0,0,0|2,0,0]=4 7685 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [1,1,0,0,0,0|2,0,0]=4 7686 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [1,1,0,0,0,0|2,0,0]=4 7687 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [1,1,0,0,0,0|2,0,0]=4 7688 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [1,1,0,0,0,0|2,0,0]=4 7689 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [1,1,0,0,0,0|2,0,0]=4 7690 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [1,1,0,0,0,0|2,0,0]=4 7691 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [1,1,0,0,0,0|2,0,0]=4 7692 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [1,1,0,0,0,0|2,0,0]=4 7693 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [1,1,0,0,0,0|2,0,0]=4 7694 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 7695 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 7696 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 7697 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [1,1,0,0,0,0|2,0,0]=4 7698 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [1,1,0,0,0,0|2,0,0]=4 7699 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [1,1,0,0,0,0|2,0,0]=4 7700 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [1,1,0,0,0,0|2,0,0]=4 7701 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [1,1,0,0,0,0|2,0,0]=4 7702 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [1,1,0,0,0,0|2,0,0]=4 7703 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [1,1,0,0,0,0|2,0,0]=4 7704 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [1,1,0,0,0,0|2,0,0]=4 7705 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [1,1,0,0,0,0|2,0,0]=4 7706 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 7707 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 7708 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 7709 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [1,1,0,0,0,0|2,0,0]=4 7710 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [1,1,0,0,0,0|2,0,0]=4 7711 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [1,1,0,0,0,0|2,0,0]=4 7712 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [1,1,0,0,0,0|2,0,0]=4 7713 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [1,1,0,0,0,0|2,0,0]=4 7714 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [1,1,0,0,0,0|2,0,0]=4 7715 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [1,1,0,0,0,0|2,0,0]=4 7716 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [1,1,0,0,0,0|2,0,0]=4 7717 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [1,1,0,0,0,0|2,0,0]=4 7718 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [1,1,0,0,0,0|2,0,0]=4 7719 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|1,0,0]=3 7720 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [1,1,0,0,0,0|2,0,0]=4 7721 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|2,0,0]=4 7722 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [1,1,0,0,0,0|2,0,0]=4 7723 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [1,1,0,0,0,0|2,0,0]=4 7724 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [1,1,0,0,0,0|2,0,0]=4 7725 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [1,1,0,0,0,0|2,0,0]=4 7726 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [1,1,0,0,0,0|2,0,0]=4 7727 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [1,1,0,0,0,0|2,0,0]=4 7728 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [1,1,0,0,0,0|2,0,0]=4 7729 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [1,1,0,0,0,0|2,0,0]=4 7730 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [1,1,0,0,0,0|2,0,0]=4 7731 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [1,1,0,0,0,0|2,0,0]=4 7732 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [1,1,0,0,0,0|2,0,0]=4 7733 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [1,1,0,0,0,0|1,0,1]=4 7734 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 7735 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 7736 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 7737 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|1,0,0]=3 7738 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [1,1,0,0,0,0|2,0,0]=4 7739 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [1,1,0,0,0,0|2,0,0]=4 7740 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [1,1,0,0,0,0|2,0,0]=4 7741 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 7742 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 7743 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 7744 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [1,1,0,0,0,0|2,0,0]=4 7745 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [1,1,0,0,0,0|2,0,0]=4 7746 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [1,1,0,0,0,0|2,0,0]=4 7747 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [1,1,0,0,0,0|2,0,0]=4 7748 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [1,1,0,0,0,0|2,0,0]=4 7749 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 7750 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 7751 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 7752 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 7753 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 7754 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 7755 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 7756 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 7757 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 7758 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 7759 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|0,0,1]=3 7760 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [1,1,0,0,0,0|1,0,1]=4 7761 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [1,1,0,0,0,0|1,0,1]=4 7762 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [1,1,0,0,0,0|1,0,1]=4 7763 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [1,1,0,0,0,0|1,0,1]=4 7764 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [1,1,0,0,0,0|1,0,0]=3 7765 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [1,1,0,0,0,0|1,0,0]=3 7766 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [1,1,0,0,0,0|1,0,0]=3 7767 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [1,1,0,0,0,0|1,0,0]=3 7768 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [1,1,0,0,0,0|1,0,0]=3 7769 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [1,1,0,0,0,0|1,0,0]=3 7770 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [1,1,0,0,0,0|1,0,0]=3 7771 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [1,1,0,0,0,0|1,0,0]=3 7772 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [1,1,0,0,0,0|1,0,0]=3 7773 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [1,1,0,0,0,0|1,0,0]=3 7774 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [1,1,0,0,0,0|1,0,0]=3 7775 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [1,1,0,0,0,0|1,0,0]=3 7776 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [1,1,0,0,0,0|1,0,0]=3 7777 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [1,1,0,0,0,0|1,0,0]=3 7778 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [1,1,0,0,0,0|2,0,0]=4 7779 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [1,1,0,0,0,0|1,0,0]=3 7780 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [1,1,0,0,0,0|1,0,0]=3 7781 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [1,1,0,0,0,0|1,0,1]=4 7782 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [1,1,0,0,0,0|1,0,0]=3 7783 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [1,1,0,0,0,0|2,0,0]=4 7784 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [1,1,0,0,0,0|1,0,0]=3 7785 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [1,1,0,0,0,0|2,0,0]=4 7786 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [1,1,0,0,0,0|2,0,0]=4 7787 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [1,1,0,0,0,0|2,0,0]=4 7788 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [1,1,0,0,0,0|1,0,0]=3 7789 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [1,1,0,0,0,0|1,0,0]=3 7790 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [1,1,0,0,0,0|2,0,0]=4 7791 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [1,1,0,0,0,0|2,0,0]=4 7792 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [1,1,0,0,0,0|2,0,0]=4 7793 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [1,1,0,0,0,0|2,0,0]=4 7794 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [1,1,0,0,0,0|2,0,0]=4 7795 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [1,1,0,0,0,0|1,0,1]=4 7796 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [1,1,0,0,0,0|1,0,1]=4 7797 B10R0.156 CCCCCS(=O)(=O)NCC 270084a_100015525214_100000753860 [1,1,0,0,0,0|2,0,0]=4 7798 B10R0.156 CCCCCS(=O)(=O)NCC 274078a_100015525214_100000753860 [1,1,0,0,0,0|2,0,0]=4 7799 B10R0.4 CC(C)CCCCCOCF 34a_100011995859_100015361967 [1,1,0,0,0,0|1,0,1]=4 7800 B10R0.4 CC(C)CCCCCOCF 7a_100011995859_100015361967 [1,1,0,0,0,0|1,0,1]=4 7801 B10R0.4 CC(C)OCCCCCCBr 34a_100011215345_100000210206 [1,1,0,0,0,0|1,0,1]=4 7802 B10R0.4 CC(C)OCCCCCCBr 7a_100011215345_100000210206 [1,1,0,0,0,0|1,0,1]=4 7803 B10R0.4 CC(C)OCCCCCCCl 34a_100000766143_100000210206 [1,1,0,0,0,0|1,0,1]=4 7804 B10R0.4 CC(C)OCCCCCCCl 7a_100000766143_100000210206 [1,1,0,0,0,0|1,0,1]=4 7805 B10R0.4 CC(C)OCCCCCCF 34a_100000212225_100015922095 [1,1,0,0,0,0|1,0,1]=4 7806 B10R0.4 CC(C)OCCCCCCF 34a_100000732779_100000210206 [1,1,0,0,0,0|1,0,1]=4 7807 B10R0.4 CC(C)OCCCCCCF 7a_100000732779_100000210206 [1,1,0,0,0,0|1,0,1]=4 7808 B10R0.4 CC(C)OCCCCCCN 34a_100000686447_100000210206 [1,1,0,0,0,0|1,0,1]=4 7809 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [1,1,0,0,0,0|1,0,1]=4 7810 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [1,1,0,0,0,0|2,0,0]=4 7811 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [1,1,0,0,0,0|2,0,0]=4 7812 B10R0.4 CC/C=C\CCNCC(C)C 2230a_100000210953_100015370543 [1,1,0,0,0,0|2,0,0]=4 7813 B10R0.4 CC/C=C\CCNCC(C)C 34a_100000210953_100015370543 [1,1,0,0,0,0|2,0,0]=4 7814 B10R0.4 CC/C=C\CCNCC(C)O 2230a_100000210904_100015370543 [1,1,0,0,0,0|2,0,0]=4 7815 B10R0.4 CC/C=C\CCNCC(C)O 34a_100000210904_100015370543 [1,1,0,0,0,0|2,0,0]=4 7816 B10R0.4 CC/C=C\CCOCC(C)Br 34a_100012180447_100015370543 [1,1,0,0,0,0|2,0,0]=4 7817 B10R0.4 CC/C=C\CCOCC(C)C 34a_100000210257_100015370543 [1,1,0,0,0,0|2,0,0]=4 7818 B10R0.4 CC/C=C\CCOCC(C)C 34a_100016288707_100000210624 [1,1,0,0,0,0|2,0,0]=4 7819 B10R0.4 CC/C=C\CCOCC(C)C 7a_100016288707_100000210760 [1,1,0,0,0,0|2,0,0]=4 7820 B10R0.4 CC/C=C\CCOCC(C)F 34a_100015925927_100015370543 [1,1,0,0,0,0|2,0,0]=4 7821 B10R0.4 CC/C=C\CCOCC(C)O 34a_100016288707_100011218427 [1,1,0,0,0,0|2,0,0]=4 7822 B10R0.4 CC/C=C\CCOCC(C)O 7a_100016288707_100011218427 [1,1,0,0,0,0|2,0,0]=4 7823 B10R0.4 CC/C=C\CCOC[C@@H](C)Cl 34a_100016084084_100015370543 [1,1,0,0,0,0|2,0,0]=4 7824 B10R0.4 CC/C=C\CCOC[C@@H](C)N 34a_100000737577_100015370543 [1,1,0,0,0,0|2,0,0]=4 7825 B10R0.4 CC/C=C\CCOC[C@@H](C)O 34a_100016288707_100009817552 [1,1,0,0,0,0|2,0,0]=4 7826 B10R0.4 CC/C=C\CCOC[C@@H](C)O 7a_100016288707_100009817552 [1,1,0,0,0,0|2,0,0]=4 7827 B10R0.4 CC/C=C\CCSCC(C)C 62a_100000210624_100015370543 [1,1,0,0,0,0|2,0,0]=4 7828 B10R0.4 CC/C=C\CCSCC(C)C 62a_100015370543_100000210760 [1,1,0,0,0,0|2,0,0]=4 7829 B10R0.4 CC/C=C\CCSCC(C)O 62a_100011218427_100015370543 [1,1,0,0,0,0|2,0,0]=4 7830 B10R0.4 CC/C=C\CCSCC(C)O 62a_100015370543_100011218427 [1,1,0,0,0,0|2,0,0]=4 7831 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100009817552_100015370543 [1,1,0,0,0,0|2,0,0]=4 7832 B10R0.4 CC/C=C\CCSC[C@@H](C)O 62a_100015370543_100009817552 [1,1,0,0,0,0|2,0,0]=4 7833 B10R0.4 CC/C=C\CNCCC(C)O 2230a_200000755665_100103147603 [1,1,0,0,0,0|2,0,0]=4 7834 B10R0.4 CC/C=C\COCCC(C)Br 34a_100009893172_100103147603 [1,1,0,0,0,0|2,0,0]=4 7835 B10R0.4 CC/C=C\COCCC(C)C 34a_100000210254_100103147603 [1,1,0,0,0,0|2,0,0]=4 7836 B10R0.4 CC/C=C\COCCC(C)C 34a_100016268518_100000210312 [1,1,0,0,0,0|2,0,0]=4 7837 B10R0.4 CC/C=C\COCCC(C)C 7a_100000210254_100103147603 [1,1,0,0,0,0|2,0,0]=4 7838 B10R0.4 CC/C=C\COCCC(C)O 34a_100016268518_100012276601 [1,1,0,0,0,0|2,0,0]=4 7839 B10R0.4 CC/C=C\COCC[C@@H](C)N 34a_100000706166_100103147603 [1,1,0,0,0,0|2,0,0]=4 7840 B10R0.4 CC/C=C\CSCCC(C)C 62a_100000210312_100103147603 [1,1,0,0,0,0|2,0,0]=4 7841 B10R0.4 CC/C=C\CSCCC(C)C 62a_100103147603_100000210312 [1,1,0,0,0,0|2,0,0]=4 7842 B10R0.4 CC/C=C\CSCCC(C)O 62a_100012276601_100103147603 [1,1,0,0,0,0|2,0,0]=4 7843 B10R0.4 CC/C=C\CSCCC(C)O 62a_100103147603_100012276601 [1,1,0,0,0,0|2,0,0]=4 7844 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [1,1,0,0,0,0|1,0,1]=4 7845 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [1,1,0,0,0,0|1,0,1]=4 7846 B10R0.4 CCCCCCCNC(C)C 2230a_100000229938_100000210206 [1,1,0,0,0,0|1,0,1]=4 7847 B10R0.4 CCCCCCCNC(C)C 2230a_100138425928_100000210681 [1,1,0,0,0,0|1,0,1]=4 7848 B10R0.4 CCCCCCCNC(C)C 34a_100138425928_100000210614 [1,1,0,0,0,0|1,0,1]=4 7849 B10R0.4 CCCCCCCOC(C)C 34a_100000210272_100000210206 [1,1,0,0,0,0|0,0,1]=3 7850 B10R0.4 CCCCCCCOC(C)C 34a_100000212225_100000210614 [1,1,0,0,0,0|0,0,1]=3 7851 B10R0.4 CCCCCCCOC(C)C 7a_100000210272_100000210206 [1,1,0,0,0,0|0,0,1]=3 7852 B10R0.4 CCCCCCCSC(C)C 62a_100000210206_100000210316 [1,1,0,0,0,0|0,1,1]=4 7853 B10R0.4 CCCCCCCSC(C)C 62a_100000210614_100000210206 [1,1,0,0,0,0|0,1,1]=4 7854 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|2,0,0]=4 7855 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|2,0,0]=4 7856 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|2,0,0]=4 7857 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|2,0,0]=4 7858 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|2,0,0]=4 7859 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 7860 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|2,0,0]=4 7861 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|2,0,0]=4 7862 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|2,0,0]=4 7863 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|2,0,0]=4 7864 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|2,0,0]=4 7865 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|2,0,0]=4 7866 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|2,0,0]=4 7867 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|2,0,0]=4 7868 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|2,0,0]=4 7869 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|2,0,0]=4 7870 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|2,0,0]=4 7871 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|2,0,0]=4 7872 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|2,0,0]=4 7873 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|2,0,0]=4 7874 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|2,0,0]=4 7875 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|2,0,0]=4 7876 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|2,0,0]=4 7877 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|2,0,0]=4 7878 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|2,0,0]=4 7879 B10R0.4 CCCCCNCOC(C)C 2230a_100000209983_100000709892 [1,1,0,0,0,0|1,0,1]=4 7880 B10R0.4 CCCCCOCOC(C)C 34a_100000210253_100000709892 [1,1,0,0,0,0|1,0,1]=4 7881 B10R0.4 CCCCCSCOC(C)C 62a_100000210326_100000709892 [1,1,0,0,0,0|1,0,1]=4 7882 B10R0.4 CCCCCSCOC(C)C 62a_100000709892_100000210326 [1,1,0,0,0,0|1,0,1]=4 7883 B10R0.4 CCCCNCCOC(C)C 2230a_100000102301_100000211751 [1,1,0,0,0,0|1,0,1]=4 7884 B10R0.4 CCCCNCCOC(C)C 2230a_100000701111_100000210211 [1,1,0,0,0,0|1,0,1]=4 7885 B10R0.4 CCCCNCCOC(C)C 34a_100000701111_100000210210 [1,1,0,0,0,0|1,0,1]=4 7886 B10R0.4 CCCCNCCOC(C)C 7a_106832991798_100000211751 [1,1,0,0,0,0|1,0,1]=4 7887 B10R0.4 CCCCOCCOC(C)C 34a_100000210227_100000211751 [1,1,0,0,0,0|1,0,1]=4 7888 B10R0.4 CCCCOCCOC(C)C 34a_100000210238_100000210206 [1,1,0,0,0,0|1,0,1]=4 7889 B10R0.4 CCCCOCCOC(C)C 34a_100000211219_100000210210 [1,1,0,0,0,0|1,0,1]=4 7890 B10R0.4 CCCCOCCOC(C)C 34a_100000212225_100000743108 [1,1,0,0,0,0|1,0,1]=4 7891 B10R0.4 CCCCOCCOC(C)C 7a_100000210227_100000211751 [1,1,0,0,0,0|1,0,1]=4 7892 B10R0.4 CCCCOCCOC(C)C 7a_100000210238_100000210206 [1,1,0,0,0,0|1,0,1]=4 7893 B10R0.4 CCCCOCCOC(C)C 7a_100000211219_100000210211 [1,1,0,0,0,0|1,0,1]=4 7894 B10R0.4 CCCCSCCOC(C)C 34a_200000230436_100000210206 [1,1,0,0,0,0|1,0,1]=4 7895 B10R0.4 CCCCSCCOC(C)C 62a_100000210211_100000211751 [1,1,0,0,0,0|1,0,1]=4 7896 B10R0.4 CCCCSCCOC(C)C 62a_100000211751_100000210210 [1,1,0,0,0,0|1,0,1]=4 7897 B10R0.4 CCCCSCCOC(C)C 7a_200000230436_100000210206 [1,1,0,0,0,0|1,0,1]=4 7898 B10R0.4 CCCNCCCOC(C)C 2230a_100000737246_100000210303 [1,1,0,0,0,0|1,0,1]=4 7899 B10R0.4 CCCNCCCOC(C)C 34a_100000737246_100000210303 [1,1,0,0,0,0|1,0,1]=4 7900 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|2,0,0]=4 7901 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|2,0,0]=4 7902 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|2,0,0]=4 7903 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|2,0,0]=4 7904 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|2,0,0]=4 7905 B10R0.4 CCNCCCCCC(C)C 2230a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 7906 B10R0.4 CCNCCCCCC(C)C 2230a_100015525214_100000210682 [1,1,0,0,0,0|1,0,1]=4 7907 B10R0.4 CCNCCCCCC(C)C 34a_100011290863_100000210202 [1,1,0,0,0,0|1,0,1]=4 7908 B10R0.4 CCOCCCCCC(C)C 34a_100011995859_100000210202 [1,1,0,0,0,0|0,0,1]=3 7909 B10R0.4 CCOCCCCCC(C)C 34a_100121572206_100000210682 [1,1,0,0,0,0|0,0,1]=3 7910 B10R0.4 CCOCCCCCC(C)C 7a_100011995859_100000210202 [1,1,0,0,0,0|0,0,1]=3 7911 B10R0.4 CCOCCCCNC(C)C 34a_100011521146_100000210202 [1,1,0,0,0,0|1,0,1]=4 7912 B10R0.4 CCOCCCNCC(C)C 2230a_100000210953_100012232248 [1,1,0,0,0,0|1,0,1]=4 7913 B10R0.4 CCOCCCNCC(C)C 2230a_100000210961_100000210760 [1,1,0,0,0,0|1,0,1]=4 7914 B10R0.4 CCOCCCNCC(C)C 270004a_100000210961_100000210432 [1,1,0,0,0,0|1,0,1]=4 7915 B10R0.4 CCOCCCNCC(C)C 34a_100000210953_100012232248 [1,1,0,0,0,0|1,0,1]=4 7916 B10R0.4 CCOCCCNCC(C)C 34a_100000210961_100000210624 [1,1,0,0,0,0|1,0,1]=4 7917 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [1,1,0,0,0,0|1,0,1]=4 7918 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [1,1,0,0,0,0|1,0,1]=4 7919 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [1,1,0,0,0,0|1,0,1]=4 7920 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [1,1,0,0,0,0|1,0,1]=4 7921 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [1,1,0,0,0,0|1,0,1]=4 7922 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [1,1,0,0,0,0|1,0,1]=4 7923 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [1,1,0,0,0,0|1,0,1]=4 7924 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [1,1,0,0,0,0|1,0,1]=4 7925 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [1,1,0,0,0,0|1,0,1]=4 7926 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [1,1,0,0,0,0|1,0,1]=4 7927 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [1,1,0,0,0,0|1,0,1]=4 7928 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [1,1,0,0,0,0|1,0,1]=4 7929 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [1,1,0,0,0,0|1,0,1]=4 7930 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [1,1,0,0,0,0|1,0,1]=4 7931 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [1,1,0,0,0,0|1,0,1]=4 7932 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [1,1,0,0,0,0|1,0,1]=4 7933 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [1,1,0,0,0,0|1,0,1]=4 7934 B10R0.4 CCOCCCSCC(C)C 62a_100000210624_100012232248 [1,1,0,0,0,0|1,0,1]=4 7935 B10R0.4 CCOCCCSCC(C)C 62a_100012232248_100000210760 [1,1,0,0,0,0|1,0,1]=4 7936 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [1,1,0,0,0,0|1,0,1]=4 7937 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [1,1,0,0,0,0|1,0,1]=4 7938 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [1,1,0,0,0,0|1,0,1]=4 7939 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [1,1,0,0,0,0|1,0,1]=4 7940 B10R0.4 CCOCCNCCC(C)C 2230a_102516460346_100000210312 [1,1,0,0,0,0|1,0,1]=4 7941 B10R0.4 CCOCCNCCC(C)C 269862a_100011200944_100000185833 [1,1,0,0,0,0|1,0,1]=4 7942 B10R0.4 CCOCCNCCC(C)C 34a_102516460346_100000210312 [1,1,0,0,0,0|1,0,1]=4 7943 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [1,1,0,0,0,0|1,0,1]=4 7944 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [1,1,0,0,0,0|1,0,1]=4 7945 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [1,1,0,0,0,0|1,0,1]=4 7946 B10R0.4 CCOCCOCCC(C)Br 34a_100009893172_100000210147 [1,1,0,0,0,0|1,0,1]=4 7947 B10R0.4 CCOCCOCCC(C)C 34a_100000210136_100000210312 [1,1,0,0,0,0|1,0,1]=4 7948 B10R0.4 CCOCCOCCC(C)C 34a_100000210254_100000210147 [1,1,0,0,0,0|1,0,1]=4 7949 B10R0.4 CCOCCOCCC(C)C 7a_100000210136_100000210626 [1,1,0,0,0,0|1,0,1]=4 7950 B10R0.4 CCOCCOCCC(C)C 7a_100000210254_100011215890 [1,1,0,0,0,0|1,0,1]=4 7951 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 7952 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [1,1,0,0,0,0|1,0,1]=4 7953 B10R0.4 CCOCCOCC[C@@H](C)N 34a_100000706166_100000210147 [1,1,0,0,0,0|1,0,1]=4 7954 B10R0.4 CCOCCSCCC(C)C 62a_100000210147_100000210312 [1,1,0,0,0,0|1,0,1]=4 7955 B10R0.4 CCOCCSCCC(C)C 62a_100000210312_100011215890 [1,1,0,0,0,0|1,0,1]=4 7956 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [1,1,0,0,0,0|1,0,1]=4 7957 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [1,1,0,0,0,0|1,0,1]=4 7958 B10R0.4 CCOCSCCCC(C)C 62a_100000739092_100011214892 [1,1,0,0,0,0|1,0,1]=4 7959 B10R0.4 CCOCSCCCC(C)C 62a_100011214892_100000739092 [1,1,0,0,0,0|1,0,1]=4 7960 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [1,1,0,0,0,0|1,0,1]=4 7961 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [1,1,0,0,0,0|1,0,1]=4 7962 B10R0.4 CCSCCCCCC(C)C 62a_100000210202_100000210682 [1,1,0,0,0,0|0,1,1]=4 7963 B10R0.4 CCSCCCCCC(C)C 62a_100000210682_100000210202 [1,1,0,0,0,0|0,1,1]=4 7964 B10R0.4 CNCCCCCOC(C)C 34a_100000722520_100000210206 [1,1,0,0,0,0|1,0,1]=4 7965 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,1,0,0,0,0|0,0,2]=4 7966 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,1,0,0,0,0|0,0,2]=4 7967 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,1,0,0,0,0|0,0,2]=4 7968 B10R0.71 C#CCOCCCCCCC 34a_100000210247_100000210614 [1,1,0,0,0,0|0,0,2]=4 7969 B10R0.71 C#CCOCCCCCCC 34a_100000210272_100000184674 [1,1,0,0,0,0|0,0,2]=4 7970 B10R0.71 C#CCOCCCCCCC 7a_100000210272_100000038162 [1,1,0,0,0,0|0,0,2]=4 7971 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,1,0,0,0,0|0,0,2]=4 7972 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,1,0,0,0,0|0,0,2]=4 7973 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,1,0,0,0,0|0,0,2]=4 7974 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,1,0,0,0,0|0,0,2]=4 7975 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,1,0,0,0,0|0,0,2]=4 7976 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,1,0,0,0,0|0,0,2]=4 7977 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|1,0,0]=3 7978 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|1,0,0]=3 7979 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [1,1,0,0,0,0|2,0,0]=4 7980 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [1,1,0,0,0,0|2,0,0]=4 7981 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,1,0,0,0,0|2,0,0]=4 7982 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,1,0,0,0,0|2,0,0]=4 7983 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [1,1,0,0,0,0|2,0,0]=4 7984 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,1,0,0,0,0|1,0,0]=3 7985 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,1,0,0,0,0|1,0,0]=3 7986 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,1,0,0,0,0|1,0,0]=3 7987 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,1,0,0,0,0|1,0,0]=3 7988 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,1,0,0,0,0|1,0,0]=3 7989 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,1,0,0,0,0|1,0,0]=3 7990 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,1,0,0,0,0|1,0,0]=3 7991 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [1,1,0,0,0,0|2,0,0]=4 7992 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [1,1,0,0,0,0|2,0,0]=4 7993 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,1,0,0,0,0|1,0,0]=3 7994 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,1,0,0,0,0|1,0,0]=3 7995 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [1,1,0,0,0,0|2,0,0]=4 7996 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [1,1,0,0,0,0|2,0,0]=4 7997 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [1,1,0,0,0,0|2,0,0]=4 7998 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [1,1,0,0,0,0|2,0,0]=4 7999 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [1,1,0,0,0,0|2,0,0]=4 8000 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,1,0,0,0,0|1,0,0]=3 8001 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,1,0,0,0,0|1,0,0]=3 8002 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,1,0,0,0,0|1,0,0]=3 8003 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,1,0,0,0,0|1,0,0]=3 8004 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [1,1,0,0,0,0|2,0,0]=4 8005 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [1,1,0,0,0,0|2,0,0]=4 8006 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [1,1,0,0,0,0|2,0,0]=4 8007 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [1,1,0,0,0,0|2,0,0]=4 8008 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [1,1,0,0,0,0|2,0,0]=4 8009 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,1,0,0,0,0|2,0,0]=4 8010 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,1,0,0,0,0|2,0,0]=4 8011 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [1,1,0,0,0,0|2,0,0]=4 8012 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [1,1,0,0,0,0|2,0,0]=4 8013 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [1,1,0,0,0,0|2,0,0]=4 8014 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [1,1,0,0,0,0|2,0,0]=4 8015 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [1,1,0,0,0,0|2,0,0]=4 8016 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [1,1,0,0,0,0|2,0,0]=4 8017 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [1,1,0,0,0,0|2,0,0]=4 8018 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,1,0,0,0,0|1,0,0]=3 8019 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,1,0,0,0,0|1,0,0]=3 8020 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [1,1,0,0,0,0|2,0,0]=4 8021 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [1,1,0,0,0,0|2,0,0]=4 8022 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,1,0,0,0,0|2,0,0]=4 8023 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,1,0,0,0,0|2,0,0]=4 8024 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [1,1,0,0,0,0|2,0,0]=4 8025 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [1,1,0,0,0,0|2,0,0]=4 8026 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [1,1,0,0,0,0|2,0,0]=4 8027 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [1,1,0,0,0,0|2,0,0]=4 8028 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [1,1,0,0,0,0|2,0,0]=4 8029 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [1,1,0,0,0,0|2,0,0]=4 8030 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,1,0,0,0,0|1,0,0]=3 8031 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [1,1,0,0,0,0|2,0,0]=4 8032 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [1,1,0,0,0,0|2,0,0]=4 8033 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [1,1,0,0,0,0|2,0,0]=4 8034 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [1,1,0,0,0,0|2,0,0]=4 8035 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [1,1,0,0,0,0|2,0,0]=4 8036 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [1,1,0,0,0,0|2,0,0]=4 8037 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [1,1,0,0,0,0|2,0,0]=4 8038 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [1,1,0,0,0,0|2,0,0]=4 8039 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,1,0,0,0,0|1,0,0]=3 8040 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,1,0,0,0,0|1,0,0]=3 8041 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,1,0,0,0,0|1,0,0]=3 8042 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [1,1,0,0,0,0|2,0,0]=4 8043 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [1,1,0,0,0,0|2,0,0]=4 8044 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [1,1,0,0,0,0|2,0,0]=4 8045 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [1,1,0,0,0,0|2,0,0]=4 8046 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [1,1,0,0,0,0|2,0,0]=4 8047 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [1,1,0,0,0,0|2,0,0]=4 8048 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [1,1,0,0,0,0|2,0,0]=4 8049 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [1,1,0,0,0,0|2,0,0]=4 8050 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [1,1,0,0,0,0|2,0,0]=4 8051 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [1,1,0,0,0,0|2,0,0]=4 8052 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [1,1,0,0,0,0|2,0,0]=4 8053 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [1,1,0,0,0,0|2,0,0]=4 8054 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [1,1,0,0,0,0|2,0,0]=4 8055 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [1,1,0,0,0,0|2,0,0]=4 8056 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [1,1,0,0,0,0|2,0,0]=4 8057 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [1,1,0,0,0,0|2,0,0]=4 8058 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [1,1,0,0,0,0|2,0,0]=4 8059 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [1,1,0,0,0,0|2,0,0]=4 8060 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [1,1,0,0,0,0|2,0,0]=4 8061 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,1,0,0,0,0|1,0,0]=3 8062 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,1,0,0,0,0|1,0,0]=3 8063 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [1,1,0,0,0,0|2,0,0]=4 8064 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [1,1,0,0,0,0|2,0,0]=4 8065 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [1,1,0,0,0,0|2,0,0]=4 8066 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [1,1,0,0,0,0|2,0,0]=4 8067 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [1,1,0,0,0,0|2,0,0]=4 8068 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [1,1,0,0,0,0|2,0,0]=4 8069 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [1,1,0,0,0,0|2,0,0]=4 8070 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [1,1,0,0,0,0|2,0,0]=4 8071 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [1,1,0,0,0,0|2,0,0]=4 8072 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [1,1,0,0,0,0|2,0,0]=4 8073 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,1,0,0,0,0|1,0,1]=4 8074 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,1,0,0,0,0|1,0,1]=4 8075 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,1,0,0,0,0|1,0,1]=4 8076 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [1,1,0,0,0,0|1,0,1]=4 8077 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [1,1,0,0,0,0|1,0,1]=4 8078 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [1,1,0,0,0,0|1,0,1]=4 8079 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [1,1,0,0,0,0|1,0,1]=4 8080 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [1,1,0,0,0,0|1,0,1]=4 8081 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [1,1,0,0,0,0|1,0,1]=4 8082 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,1,0,0,0,0|1,0,1]=4 8083 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,1,0,0,0,0|1,0,1]=4 8084 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,1,0,0,0,0|0,0,2]=4 8085 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,1,0,0,0,0|0,0,2]=4 8086 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,1,0,0,0,0|2,0,0]=4 8087 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [1,1,0,0,0,0|0,0,2]=4 8088 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [1,1,0,0,0,0|0,0,2]=4 8089 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,1,0,0,0,0|0,0,1]=3 8090 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,1,0,0,0,0|0,0,1]=3 8091 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [1,1,0,0,0,0|1,0,1]=4 8092 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [1,1,0,0,0,0|1,0,1]=4 8093 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,1,0,0,0,0|1,0,1]=4 8094 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,1,0,0,0,0|1,0,1]=4 8095 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,1,0,0,0,0|1,0,1]=4 8096 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,1,0,0,0,0|1,0,1]=4 8097 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,1,0,0,0,0|0,0,2]=4 8098 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,1,0,0,0,0|0,0,2]=4 8099 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,1,0,0,0,0|0,0,2]=4 8100 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|1,0,0]=3 8101 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|1,0,0]=3 8102 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|1,0,0]=3 8103 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|1,0,0]=3 8104 B10R0.71 CCCCCCC#CCOC 34a_200000037284_200000210301 [1,1,0,0,0,0|1,0,1]=4 8105 B10R0.71 CCCCCCC#CCOC 7a_200000037284_200000210301 [1,1,0,0,0,0|1,0,1]=4 8106 B10R0.71 CCCCCCC#CCO[13CH3] 34a_200000037284_200025704644 [1,1,0,0,0,0|1,0,1]=4 8107 B10R0.71 CCCCCCC#CCO[13CH3] 7a_200000037284_200025704644 [1,1,0,0,0,0|1,0,1]=4 8108 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,1,0,0,0,0|1,0,0]=3 8109 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 8110 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|1,0,1]=4 8111 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 8112 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|1,0,1]=4 8113 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|1,0,1]=4 8114 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 8115 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 8116 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 8117 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|1,0,1]=4 8118 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 8119 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 8120 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 8121 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|1,0,1]=4 8122 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|1,0,1]=4 8123 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 8124 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|1,0,1]=4 8125 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 8126 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|0,0,1]=3 8127 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|0,0,1]=3 8128 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|0,0,1]=3 8129 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 8130 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,1,0,0,0,0|1,0,1]=4 8131 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|0,1,1]=4 8132 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|0,1,1]=4 8133 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|1,0,1]=4 8134 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,1,0,0,0,0|1,0,1]=4 8135 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,1,0,0,0,0|1,0,1]=4 8136 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,1,0,0,0,0|1,0,1]=4 8137 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,1,0,0,0,0|1,0,1]=4 8138 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,1,0,0,0,0|1,0,1]=4 8139 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,1,0,0,0,0|1,0,1]=4 8140 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,1,0,0,0,0|1,0,1]=4 8141 B10R0.71 CCCCCCCOCC#N 7a_100000210272_100011215382 [1,1,0,0,0,0|0,0,2]=4 8142 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|0,0,2]=4 8143 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|0,0,2]=4 8144 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|0,0,1]=3 8145 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|0,0,1]=3 8146 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|0,0,1]=3 8147 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|0,0,1]=3 8148 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|0,0,1]=3 8149 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|0,0,1]=3 8150 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|0,0,1]=3 8151 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|0,0,1]=3 8152 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|0,0,1]=3 8153 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|0,0,1]=3 8154 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|0,1,1]=4 8155 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|0,1,1]=4 8156 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,1,0,0,0,0|0,1,1]=4 8157 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,1,0,0,0,0|0,1,1]=4 8158 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,1,0,0,0,0|0,1,1]=4 8159 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,1,0,0,0,0|0,1,1]=4 8160 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,1,0,0,0,0|0,1,1]=4 8161 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,1,0,0,0,0|0,1,1]=4 8162 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,1,0,0,0,0|0,1,1]=4 8163 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,1,0,0,0,0|0,1,1]=4 8164 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|1,0,1]=4 8165 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|1,0,1]=4 8166 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|1,0,1]=4 8167 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,1,0,0,0,0|2,0,0]=4 8168 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,1,0,0,0,0|2,0,0]=4 8169 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,1,0,0,0,0|2,0,0]=4 8170 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|2,0,0]=4 8171 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|2,0,0]=4 8172 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|2,0,0]=4 8173 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|2,0,0]=4 8174 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|2,0,0]=4 8175 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,1,0,0,0,0|2,0,0]=4 8176 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|1,0,1]=4 8177 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|1,0,1]=4 8178 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|1,0,1]=4 8179 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|1,0,1]=4 8180 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,1,0,0,0,0|2,0,0]=4 8181 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,1,0,0,0,0|2,0,0]=4 8182 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,1,0,0,0,0|2,0,0]=4 8183 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,1,0,0,0,0|2,0,0]=4 8184 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,1,0,0,0,0|2,0,0]=4 8185 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|2,0,0]=4 8186 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|2,0,0]=4 8187 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|2,0,0]=4 8188 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|2,0,0]=4 8189 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|2,0,0]=4 8190 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|2,0,0]=4 8191 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|2,0,0]=4 8192 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|2,0,0]=4 8193 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|2,0,0]=4 8194 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|2,0,0]=4 8195 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|2,0,0]=4 8196 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|2,0,0]=4 8197 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|2,0,0]=4 8198 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|1,0,1]=4 8199 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|1,0,1]=4 8200 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,1,0,0,0,0|2,0,0]=4 8201 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,1,0,0,0,0|2,0,0]=4 8202 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|2,0,0]=4 8203 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|2,0,0]=4 8204 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|2,0,0]=4 8205 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|2,0,0]=4 8206 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|2,0,0]=4 8207 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|2,0,0]=4 8208 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,1,0,0,0,0|0,0,1]=3 8209 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,1,0,0,0,0|0,0,1]=3 8210 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|1,0,1]=4 8211 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,1,0,0,0,0|0,0,1]=3 8212 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,1,0,0,0,0|0,0,1]=3 8213 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,1,0,0,0,0|0,0,1]=3 8214 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,1,0,0,0,0|0,0,1]=3 8215 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,1,0,0,0,0|1,0,1]=4 8216 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,1,0,0,0,0|0,1,1]=4 8217 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,1,0,0,0,0|0,1,1]=4 8218 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|1,0,1]=4 8219 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|1,0,1]=4 8220 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,1,0,0,0,0|0,0,1]=3 8221 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,1,0,0,0,0|0,0,1]=3 8222 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,1,0,0,0,0|0,0,1]=3 8223 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,1,0,0,0,0|0,0,1]=3 8224 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,1,0,0,0,0|0,0,1]=3 8225 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,1,0,0,0,0|0,0,1]=3 8226 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,1,0,0,0,0|1,0,1]=4 8227 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,1,0,0,0,0|1,0,1]=4 8228 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,1,0,0,0,0|0,1,1]=4 8229 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,1,0,0,0,0|0,1,1]=4 8230 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,1,0,0,0,0|0,1,1]=4 8231 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,1,0,0,0,0|0,1,1]=4 8232 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|1,0,1]=4 8233 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,1,0,0,0,0|0,0,1]=3 8234 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,1,0,0,0,0|0,0,1]=3 8235 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,1,0,0,0,0|0,1,1]=4 8236 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,1,0,0,0,0|0,1,1]=4 8237 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,1,0,0,0,0|0,0,1]=3 8238 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,1,0,0,0,0|0,0,1]=3 8239 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,1,0,0,0,0|0,0,1]=3 8240 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,1,0,0,0,0|0,0,1]=3 8241 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,1,0,0,0,0|1,0,1]=4 8242 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,1,0,0,0,0|1,0,1]=4 8243 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,1,0,0,0,0|1,0,1]=4 8244 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,1,0,0,0,0|1,0,1]=4 8245 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,1,0,0,0,0|1,0,1]=4 8246 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,1,0,0,0,0|1,0,1]=4 8247 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,1,0,0,0,0|1,0,1]=4 8248 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,1,0,0,0,0|1,0,1]=4 8249 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,1,0,0,0,0|2,0,0]=4 8250 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,1,0,0,0,0|1,0,1]=4 8251 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,1,0,0,0,0|1,0,1]=4 8252 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,1,0,0,0,0|0,0,1]=3 8253 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,1,0,0,0,0|0,0,1]=3 8254 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,1,0,0,0,0|0,0,1]=3 8255 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,1,0,0,0,0|0,0,1]=3 8256 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,1,0,0,0,0|0,0,1]=3 8257 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,1,0,0,0,0|0,0,1]=3 8258 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,1,0,0,0,0|1,0,1]=4 8259 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,1,0,0,0,0|1,0,1]=4 8260 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,1,0,0,0,0|0,1,1]=4 8261 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,1,0,0,0,0|0,1,1]=4 8262 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,1,0,0,0,0|1,0,1]=4 8263 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,1,0,0,0,0|1,0,1]=4 8264 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,1,0,0,0,0|1,0,1]=4 8265 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,1,0,0,0,0|1,0,1]=4 8266 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,1,0,0,0,0|1,0,1]=4 8267 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,1,0,0,0,0|1,0,1]=4 8268 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,1,0,0,0,0|1,0,1]=4 8269 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,1,0,0,0,0|1,0,1]=4 8270 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,1,0,0,0,0|1,0,1]=4 8271 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,1,0,0,0,0|1,0,1]=4 8272 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,1,0,0,0,0|1,0,1]=4 8273 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,1,0,0,0,0|1,0,1]=4 8274 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,1,0,0,0,0|1,0,1]=4 8275 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,1,0,0,0,0|1,0,1]=4 8276 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,1,0,0,0,0|1,0,1]=4 8277 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,1,0,0,0,0|1,0,1]=4 8278 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,1,0,0,0,0|1,0,1]=4 8279 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,1,0,0,0,0|1,0,1]=4 8280 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,1,0,0,0,0|1,0,1]=4 8281 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,1,0,0,0,0|1,0,1]=4 8282 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,1,0,0,0,0|1,0,1]=4 8283 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 8284 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,1,0,0,0,0|1,0,1]=4 8285 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 8286 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,1,0,0,0,0|1,0,1]=4 8287 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,1,0,0,0,0|2,0,0]=4 8288 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,1,0,0,0,0|2,0,0]=4 8289 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,1,0,0,0,0|2,0,0]=4 8290 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,1,0,0,0,0|2,0,0]=4 8291 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,1,0,0,0,0|1,0,1]=4 8292 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,1,0,0,0,0|1,0,1]=4 8293 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,1,0,0,0,0|0,0,1]=3 8294 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,1,0,0,0,0|0,0,1]=3 8295 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,1,0,0,0,0|2,0,0]=4 8296 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,1,0,0,0,0|1,0,1]=4 8297 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,1,0,0,0,0|1,0,1]=4 8298 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,1,0,0,0,0|1,0,1]=4 8299 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,1,0,0,0,0|1,0,1]=4 8300 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [1,1,0,0,0,0|1,0,1]=4 8301 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [1,1,0,0,0,0|1,0,1]=4 8302 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,1,0,0,0,0|1,0,1]=4 8303 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,1,0,0,0,0|1,0,1]=4 8304 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,1,0,0,0,0|1,0,1]=4 8305 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,1,0,0,0,0|1,0,1]=4 8306 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [1,1,0,0,0,0|1,0,1]=4 8307 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|2,0,0]=4 8308 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|2,0,0]=4 8309 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|2,0,0]=4 8310 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|2,0,0]=4 8311 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,1,0,0,0,0|1,0,1]=4 8312 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,1,0,0,0,0|1,0,1]=4 8313 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 8314 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|1,0,1]=4 8315 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 8316 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|1,0,1]=4 8317 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|1,0,1]=4 8318 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 8319 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|1,0,1]=4 8320 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 8321 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|1,0,1]=4 8322 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|1,0,1]=4 8323 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,1,0,0,0,0|1,0,1]=4 8324 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,1,0,0,0,0|1,0,1]=4 8325 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,1,0,0,0,0|2,0,0]=4 8326 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,1,0,0,0,0|2,0,0]=4 8327 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|2,0,0]=4 8328 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|2,0,0]=4 8329 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 8330 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,1,0,0,0,0|1,0,1]=4 8331 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,1,0,0,0,0|1,0,1]=4 8332 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,1,0,0,0,0|1,0,1]=4 8333 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [1,1,0,0,0,0|1,0,1]=4 8334 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [1,1,0,0,0,0|1,0,1]=4 8335 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [1,1,0,0,0,0|1,0,1]=4 8336 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,1,0,0,0,0|0,0,1]=3 8337 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,1,0,0,0,0|0,0,1]=3 8338 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,1,0,0,0,0|0,0,1]=3 8339 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,1,0,0,0,0|0,0,1]=3 8340 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,1,0,0,0,0|0,0,1]=3 8341 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,1,0,0,0,0|0,0,1]=3 8342 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,1,0,0,0,0|0,0,1]=3 8343 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [1,1,0,0,0,0|1,0,1]=4 8344 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [1,1,0,0,0,0|1,0,1]=4 8345 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [1,1,0,0,0,0|1,0,1]=4 8346 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [1,1,0,0,0,0|1,0,1]=4 8347 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,1,0,0,0,0|1,0,1]=4 8348 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,1,0,0,0,0|1,0,1]=4 8349 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,1,0,0,0,0|1,0,1]=4 8350 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,1,0,0,0,0|1,0,1]=4 8351 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,1,0,0,0,0|1,0,1]=4 8352 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [1,1,0,0,0,0|1,0,1]=4 8353 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [1,1,0,0,0,0|1,0,1]=4 8354 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [1,1,0,0,0,0|1,0,1]=4 8355 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,1,0,0,0,0|1,0,1]=4 8356 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,1,0,0,0,0|1,0,1]=4 8357 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,1,0,0,0,0|1,0,1]=4 8358 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,1,0,0,0,0|1,0,1]=4 8359 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,1,0,0,0,0|1,0,1]=4 8360 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,1,0,0,0,0|1,0,1]=4 8361 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 8362 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,1,0,0,0,0|1,0,1]=4 8363 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,1,0,0,0,0|1,0,1]=4 8364 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,1,0,0,0,0|1,0,1]=4 8365 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,1,0,0,0,0|1,0,1]=4 8366 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,1,0,0,0,0|1,0,1]=4 8367 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,1,0,0,0,0|1,0,1]=4 8368 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,1,0,0,0,0|1,0,1]=4 8369 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,1,0,0,0,0|1,0,1]=4 8370 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,1,0,0,0,0|1,0,1]=4 8371 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,1,0,0,0,0|1,0,1]=4 8372 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [1,1,0,0,0,0|1,0,1]=4 8373 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [1,1,0,0,0,0|1,0,1]=4 8374 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,1,0,0,0,0|1,0,1]=4 8375 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,1,0,0,0,0|1,0,1]=4 8376 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,1,0,0,0,0|1,0,1]=4 8377 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,1,0,0,0,0|1,0,1]=4 8378 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [1,1,0,0,0,0|1,0,1]=4 8379 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [1,1,0,0,0,0|1,0,1]=4 8380 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [1,1,0,0,0,0|1,0,1]=4 8381 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [1,1,0,0,0,0|1,0,1]=4 8382 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [1,1,0,0,0,0|1,0,1]=4 8383 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [1,1,0,0,0,0|1,0,1]=4 8384 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,1,0,0,0,0|1,0,1]=4 8385 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,1,0,0,0,0|1,0,1]=4 8386 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,1,0,0,0,0|1,0,1]=4 8387 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,1,0,0,0,0|1,0,1]=4 8388 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,1,0,0,0,0|1,0,1]=4 8389 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,1,0,0,0,0|1,0,1]=4 8390 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,1,0,0,0,0|1,0,1]=4 8391 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [1,1,0,0,0,0|1,0,1]=4 8392 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [1,1,0,0,0,0|1,0,1]=4 8393 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [1,1,0,0,0,0|1,0,1]=4 8394 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [1,1,0,0,0,0|1,0,1]=4 8395 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [1,1,0,0,0,0|1,0,1]=4 8396 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [1,1,0,0,0,0|1,0,1]=4 8397 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,1,0,0,0,0|1,0,1]=4 8398 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,1,0,0,0,0|1,0,1]=4 8399 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,1,0,0,0,0|1,0,1]=4 8400 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,1,0,0,0,0|1,0,1]=4 8401 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,1,0,0,0,0|1,0,1]=4 8402 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,1,0,0,0,0|1,0,1]=4 8403 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,1,0,0,0,0|1,0,1]=4 8404 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,1,0,0,0,0|1,0,1]=4 8405 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,1,0,0,0,0|1,0,1]=4 8406 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,1,0,0,0,0|1,0,1]=4 8407 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,1,0,0,0,0|1,0,1]=4 8408 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,1,0,0,0,0|1,0,1]=4 8409 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,1,0,0,0,0|1,0,1]=4 8410 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,1,0,0,0,0|1,0,1]=4 8411 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,1,0,0,0,0|1,0,1]=4 8412 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,1,0,0,0,0|1,0,1]=4 8413 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,1,0,0,0,0|1,0,1]=4 8414 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [1,1,0,0,0,0|1,0,1]=4 8415 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [1,1,0,0,0,0|1,0,1]=4 8416 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [1,1,0,0,0,0|1,0,1]=4 8417 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [1,1,0,0,0,0|1,0,1]=4 8418 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [1,1,0,0,0,0|1,0,1]=4 8419 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [1,1,0,0,0,0|1,0,1]=4 8420 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [1,1,0,0,0,0|1,0,1]=4 8421 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [1,1,0,0,0,0|1,0,1]=4 8422 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [1,1,0,0,0,0|1,0,1]=4 8423 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [1,1,0,0,0,0|1,0,1]=4 8424 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [1,1,0,0,0,0|1,0,1]=4 8425 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [1,1,0,0,0,0|1,0,1]=4 8426 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [1,1,0,0,0,0|1,0,1]=4 8427 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,1,0,0,0,0|1,0,1]=4 8428 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,1,0,0,0,0|1,0,1]=4 8429 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,1,0,0,0,0|1,0,1]=4 8430 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,1,0,0,0,0|1,0,1]=4 8431 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [1,1,0,0,0,0|1,0,1]=4 8432 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [1,1,0,0,0,0|1,0,1]=4 8433 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [1,1,0,0,0,0|1,0,1]=4 8434 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [1,1,0,0,0,0|1,0,1]=4 8435 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [1,1,0,0,0,0|1,0,1]=4 8436 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,1,0,0,0,0|1,0,1]=4 8437 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,1,0,0,0,0|1,0,1]=4 8438 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,1,0,0,0,0|1,0,1]=4 8439 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,1,0,0,0,0|1,0,1]=4 8440 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,1,0,0,0,0|0,1,1]=4 8441 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,1,0,0,0,0|0,1,1]=4 8442 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,1,0,0,0,0|0,1,1]=4 8443 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,1,0,0,0,0|0,1,1]=4 8444 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,1,0,0,0,0|1,0,1]=4 8445 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,1,0,0,0,0|1,0,1]=4 8446 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,1,0,0,0,0|1,0,1]=4 8447 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,1,0,0,0,0|1,0,1]=4 8448 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,1,0,0,0,0|1,0,1]=4 8449 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,1,0,0,0,0|1,0,1]=4 8450 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,1,0,0,0,0|1,0,1]=4 8451 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,1,0,0,0,0|1,0,1]=4 8452 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,1,0,0,0,0|1,0,1]=4 8453 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [1,1,0,0,0,0|1,0,1]=4 8454 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [1,1,0,0,0,0|1,0,1]=4 8455 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [1,1,0,0,0,0|1,0,1]=4 8456 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [1,1,0,0,0,0|1,0,1]=4 8457 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [1,1,0,0,0,0|1,0,1]=4 8458 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [1,1,0,0,0,0|1,0,1]=4 8459 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [1,1,0,0,0,0|1,0,1]=4 8460 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,1,0,0,0,0|1,0,1]=4 8461 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,1,0,0,0,0|1,0,1]=4 8462 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,1,0,0,0,0|1,0,1]=4 8463 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|1,0,1]=4 8464 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|1,0,1]=4 8465 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,1,0,0,0,0|1,0,1]=4 8466 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,1,0,0,0,0|1,0,1]=4 8467 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,1,0,0,0,0|1,0,1]=4 8468 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,1,0,0,0,0|1,0,1]=4 8469 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,1,0,0,0,0|1,0,1]=4 8470 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 8471 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 8472 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,1,0,0,0,0|1,0,1]=4 8473 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,1,0,0,0,0|1,0,1]=4 8474 B10R0.74 CC/C=C\CCNC(C)CC 2230a_100000209981_100015370543 [1,1,0,0,0,0|2,0,0]=4 8475 B10R0.74 CC/C=C\CCOC(C)CC 34a_100016288707_100011215416 [1,1,0,0,0,0|2,0,0]=4 8476 B10R0.74 CC/C=C\CCOC(C)CC 7a_100000210228_100015370543 [1,1,0,0,0,0|2,0,0]=4 8477 B10R0.74 CC/C=C\CCOC(C)CC 7a_100016288707_100000758301 [1,1,0,0,0,0|2,0,0]=4 8478 B10R0.74 CC/C=C\CCSC(C)CC 62a_100000758301_100015370543 [1,1,0,0,0,0|2,0,0]=4 8479 B10R0.74 CC/C=C\CCSC(C)CC 62a_100015370543_100000758301 [1,1,0,0,0,0|2,0,0]=4 8480 B10R0.74 CC/C=C\CNCC(C)CC 2230a_100020588543_100103147603 [1,1,0,0,0,0|2,0,0]=4 8481 B10R0.74 CC/C=C\CNCC(O)CC 2230a_100011218483_100103147603 [1,1,0,0,0,0|2,0,0]=4 8482 B10R0.74 CC/C=C\COCC(C)CC 34a_100016268518_100000748023 [1,1,0,0,0,0|2,0,0]=4 8483 B10R0.74 CC/C=C\COCC(O)CC 34a_100016268518_100011218378 [1,1,0,0,0,0|2,0,0]=4 8484 B10R0.74 CC/C=C\COC[C@@H](C)CC 34a_100016268518_100009816398 [1,1,0,0,0,0|2,0,0]=4 8485 B10R0.74 CC/C=C\COC[C@@H](C)CC 7a_100009816381_100103147603 [1,1,0,0,0,0|2,0,0]=4 8486 B10R0.74 CC/C=C\CSCC(C)CC 62a_100000748023_100103147603 [1,1,0,0,0,0|2,0,0]=4 8487 B10R0.74 CC/C=C\CSCC(C)CC 62a_100103147603_100000748023 [1,1,0,0,0,0|2,0,0]=4 8488 B10R0.74 CC/C=C\CSCC(O)CC 62a_100011218378_100103147603 [1,1,0,0,0,0|2,0,0]=4 8489 B10R0.74 CC/C=C\CSCC(O)CC 62a_100103147603_100011218378 [1,1,0,0,0,0|2,0,0]=4 8490 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100009816398_100103147603 [1,1,0,0,0,0|2,0,0]=4 8491 B10R0.74 CC/C=C\CSC[C@@H](C)CC 62a_100103147603_100009816398 [1,1,0,0,0,0|2,0,0]=4 8492 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,1,0,0,0,0|1,0,1]=4 8493 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,1,0,0,0,0|1,0,1]=4 8494 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,1,0,0,0,0|1,0,1]=4 8495 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [1,1,0,0,0,0|1,0,1]=4 8496 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [1,1,0,0,0,0|1,0,1]=4 8497 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [1,1,0,0,0,0|1,0,1]=4 8498 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [1,1,0,0,0,0|1,0,1]=4 8499 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [1,1,0,0,0,0|1,0,1]=4 8500 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [1,1,0,0,0,0|1,0,1]=4 8501 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [1,1,0,0,0,0|1,0,1]=4 8502 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [1,1,0,0,0,0|1,0,1]=4 8503 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,1,0,0,0,0|2,0,0]=4 8504 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,1,0,0,0,0|2,0,0]=4 8505 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,1,0,0,0,0|2,0,0]=4 8506 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,1,0,0,0,0|2,0,0]=4 8507 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [1,1,0,0,0,0|2,0,0]=4 8508 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [1,1,0,0,0,0|2,0,0]=4 8509 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,1,0,0,0,0|2,0,0]=4 8510 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,1,0,0,0,0|2,0,0]=4 8511 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,1,0,0,0,0|2,0,0]=4 8512 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [1,1,0,0,0,0|2,0,0]=4 8513 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [1,1,0,0,0,0|2,0,0]=4 8514 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [1,1,0,0,0,0|2,0,0]=4 8515 B10R0.74 CCOCCCNC(C)CC 2230a_100000209981_100012232248 [1,1,0,0,0,0|1,0,1]=4 8516 B10R0.74 CCOCCCNC(C)CC 2230a_100000210961_100000758301 [1,1,0,0,0,0|1,0,1]=4 8517 B10R0.74 CCOCCCNC(C)CC 34a_100000210961_100011215416 [1,1,0,0,0,0|1,0,1]=4 8518 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [1,1,0,0,0,0|1,0,1]=4 8519 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [1,1,0,0,0,0|1,0,1]=4 8520 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [1,1,0,0,0,0|1,0,1]=4 8521 B10R0.74 CCOCCCSC(C)CC 62a_100000758301_100012232248 [1,1,0,0,0,0|1,0,1]=4 8522 B10R0.74 CCOCCCSC(C)CC 62a_100012232248_100000758301 [1,1,0,0,0,0|1,0,1]=4 8523 B10R0.74 CCOCCNCC(C)CC 2230a_100020588543_100011215890 [1,1,0,0,0,0|1,0,1]=4 8524 B10R0.74 CCOCCNCC(C)CC 2230a_102516460346_100000748023 [1,1,0,0,0,0|1,0,1]=4 8525 B10R0.74 CCOCCNCC(C)CC 270004a_102516460346_100000243153 [1,1,0,0,0,0|1,0,1]=4 8526 B10R0.74 CCOCCNCC(C)CC 34a_102516460346_100000748023 [1,1,0,0,0,0|1,0,1]=4 8527 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [1,1,0,0,0,0|1,0,1]=4 8528 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [1,1,0,0,0,0|1,0,1]=4 8529 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [1,1,0,0,0,0|1,0,1]=4 8530 B10R0.74 CCOCCNC[C@@H](C)CC 2230a_102516460346_100009816398 [1,1,0,0,0,0|1,0,1]=4 8531 B10R0.74 CCOCCNC[C@@H](C)CC 34a_102516460346_100009816398 [1,1,0,0,0,0|1,0,1]=4 8532 B10R0.74 CCOCCOCC(C)CC 34a_100000210136_100000748023 [1,1,0,0,0,0|1,0,1]=4 8533 B10R0.74 CCOCCOCC(C)CC 7a_100000210136_100000748023 [1,1,0,0,0,0|1,0,1]=4 8534 B10R0.74 CCOCCOCC(O)CC 34a_100000210136_100011218378 [1,1,0,0,0,0|1,0,1]=4 8535 B10R0.74 CCOCCOCC(O)CC 7a_100000210136_100011218378 [1,1,0,0,0,0|1,0,1]=4 8536 B10R0.74 CCOCCOC[C@@H](C)CC 34a_100000210136_100009816398 [1,1,0,0,0,0|1,0,1]=4 8537 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100000210136_100009816398 [1,1,0,0,0,0|1,0,1]=4 8538 B10R0.74 CCOCCOC[C@@H](C)CC 7a_100009816381_100011215890 [1,1,0,0,0,0|1,0,1]=4 8539 B10R0.74 CCOCCSCC(C)CC 62a_100000210147_100000748023 [1,1,0,0,0,0|1,0,1]=4 8540 B10R0.74 CCOCCSCC(C)CC 62a_100000748023_100011215890 [1,1,0,0,0,0|1,0,1]=4 8541 B10R0.74 CCOCCSCC(O)CC 62a_100000210147_100011218378 [1,1,0,0,0,0|1,0,1]=4 8542 B10R0.74 CCOCCSCC(O)CC 62a_100011218378_100011215890 [1,1,0,0,0,0|1,0,1]=4 8543 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100000210147_100009816398 [1,1,0,0,0,0|1,0,1]=4 8544 B10R0.74 CCOCCSC[C@@H](C)CC 62a_100009816398_100011215890 [1,1,0,0,0,0|1,0,1]=4 8545 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [1,1,0,0,0,0|1,0,1]=4 8546 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [1,1,0,0,0,0|1,0,1]=4 8547 B10R0.18 CCC(=O)CN(C)CCCO 269982a_100000213112_100000747405 [1,1,0,0,0,0|2,0,0]=4 8548 B10R0.18 CCC(=O)CN(C)CCOC 269982a_100000743101_100000747405 [1,1,0,0,0,0|2,0,0]=4 8549 B10R0.18 CCC(=O)CN(C)CCSC 269982a_100000686725_100000747405 [1,1,0,0,0,0|2,0,0]=4 8550 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|0,0,1]=3 8551 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [1,1,0,0,0,0|1,0,1]=4 8552 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [1,1,0,0,0,0|0,0,1]=3 8553 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [1,1,0,0,0,0|0,0,1]=3 8554 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 8555 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 8556 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 8557 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [1,1,0,0,0,0|1,0,0]=3 8558 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [1,1,0,0,0,0|2,0,0]=4 8559 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [1,1,0,0,0,0|2,0,0]=4 8560 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [1,1,0,0,0,0|2,0,0]=4 8561 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 8562 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 8563 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [1,1,0,0,0,0|2,0,0]=4 8564 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [1,1,0,0,0,0|2,0,0]=4 8565 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [1,1,0,0,0,0|2,0,0]=4 8566 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [1,1,0,0,0,0|1,0,0]=3 8567 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [1,1,0,0,0,0|2,0,0]=4 8568 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [1,1,0,0,0,0|2,0,0]=4 8569 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [1,1,0,0,0,0|2,0,0]=4 8570 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [1,1,0,0,0,0|1,0,0]=3 8571 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [1,1,0,0,0,0|1,0,0]=3 8572 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [1,1,0,0,0,0|1,0,0]=3 8573 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [1,1,0,0,0,0|1,0,1]=4 8574 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [1,1,0,0,0,0|1,0,1]=4 8575 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [1,1,0,0,0,0|1,0,1]=4 8576 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [1,1,0,0,0,0|1,0,0]=3 8577 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [1,1,0,0,0,0|1,0,0]=3 8578 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [1,1,0,0,0,0|1,0,0]=3 8579 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [1,1,0,0,0,0|1,0,1]=4 8580 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [1,1,0,0,0,0|1,0,1]=4 8581 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [1,1,0,0,0,0|1,0,0]=3 8582 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [1,1,0,0,0,0|1,0,1]=4 8583 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [1,1,0,0,0,0|1,0,1]=4 8584 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [1,1,0,0,0,0|1,0,1]=4 8585 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [1,1,0,0,0,0|1,0,1]=4 8586 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [1,1,0,0,0,0|1,0,0]=3 8587 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [1,1,0,0,0,0|1,0,0]=3 8588 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [1,1,0,0,0,0|1,0,1]=4 8589 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [1,1,0,0,0,0|1,0,1]=4 8590 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [1,1,0,0,0,0|1,0,1]=4 8591 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [1,1,0,0,0,0|1,0,1]=4 8592 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [1,1,0,0,0,0|2,0,0]=4 8593 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [1,1,0,0,0,0|2,0,0]=4 8594 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [1,1,0,0,0,0|2,0,0]=4 8595 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [1,1,0,0,0,0|2,0,0]=4 8596 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [1,1,0,0,0,0|2,0,0]=4 8597 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [1,1,0,0,0,0|2,0,0]=4 8598 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [1,1,0,0,0,0|2,0,0]=4 8599 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [1,1,0,0,0,0|2,0,0]=4 8600 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [1,1,0,0,0,0|2,0,0]=4 8601 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [1,1,0,0,0,0|2,0,0]=4 8602 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [1,1,0,0,0,0|2,0,0]=4 8603 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [1,1,0,0,0,0|2,0,0]=4 8604 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [1,1,0,0,0,0|2,0,0]=4 8605 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 8606 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [1,1,0,0,0,0|2,0,0]=4 8607 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [1,1,0,0,0,0|2,0,0]=4 8608 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [1,1,0,0,0,0|2,0,0]=4 8609 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [1,1,0,0,0,0|2,0,0]=4 8610 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [1,1,0,0,0,0|2,0,0]=4 8611 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [1,1,0,0,0,0|2,0,0]=4 8612 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [1,1,0,0,0,0|1,0,1]=4 8613 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [1,1,0,0,0,0|1,0,1]=4 8614 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [1,1,0,0,0,0|2,0,0]=4 8615 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [1,1,0,0,0,0|2,0,0]=4 8616 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [1,1,0,0,0,0|2,0,0]=4 8617 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [1,1,0,0,0,0|2,0,0]=4 8618 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [1,1,0,0,0,0|2,0,0]=4 8619 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [1,1,0,0,0,0|1,0,1]=4 8620 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [1,1,0,0,0,0|1,0,1]=4 8621 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [1,1,0,0,0,0|1,0,1]=4 8622 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [1,1,0,0,0,0|1,0,1]=4 8623 B10R0.41 CCCCCCC(CC)NC 270004a_106832991635_100011219640 [1,1,0,0,0,0|1,0,1]=4 8624 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [1,1,0,0,0,0|0,0,2]=4 8625 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [1,1,0,0,0,0|0,0,2]=4 8626 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [1,1,0,0,0,0|0,0,2]=4 8627 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [1,1,0,0,0,0|0,0,2]=4 8628 B10R0.41 CCCCCCN(CC)CC 2230a_100000724800_100000210314 [1,1,0,0,0,0|2,0,0]=4 8629 B10R0.41 CCCCCCN(CC)CC 269956a_100000042499_100000210757 [1,1,0,0,0,0|2,0,0]=4 8630 B10R0.41 CCCCCCN(CC)CC 269982a_100000724800_100000210757 [1,1,0,0,0,0|2,0,0]=4 8631 B10R0.41 CCN(CCCCOC)N=O 34a_200000035056_200000210301 [1,1,0,0,0,0|2,0,0]=4 8632 B10R0.41 CCN(CCCCO[13CH3])N=O 34a_200000035056_200025704644 [1,1,0,0,0,0|2,0,0]=4 8633 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [1,1,0,0,0,0|0,0,2]=4 8634 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [1,1,0,0,0,0|1,0,1]=4 8635 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [1,1,0,0,0,0|1,0,1]=4 8636 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [1,1,0,0,0,0|1,0,1]=4 8637 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [1,1,0,0,0,0|1,0,1]=4 8638 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [1,1,0,0,0,0|1,0,1]=4 8639 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [1,1,0,0,0,0|1,0,1]=4 8640 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [1,1,0,0,0,0|1,0,1]=4 8641 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [1,1,0,0,0,0|1,0,1]=4 8642 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [1,1,0,0,0,0|1,0,1]=4 8643 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [1,1,0,0,0,0|0,0,2]=4 8644 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [1,1,0,0,0,0|1,0,1]=4 8645 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [1,1,0,0,0,0|1,0,0]=3 8646 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [1,1,0,0,0,0|1,0,0]=3 8647 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [1,1,0,0,0,0|2,0,0]=4 8648 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [1,1,0,0,0,0|2,0,0]=4 8649 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [1,1,0,0,0,0|2,0,0]=4 8650 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [1,1,0,0,0,0|0,0,1]=3 8651 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [1,1,0,0,0,0|0,0,0]=2 8652 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [1,1,0,0,0,0|0,0,0]=2 8653 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [1,1,0,0,0,0|1,0,1]=4 8654 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [1,1,0,0,0,0|1,0,1]=4 8655 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [1,1,0,0,0,0|1,0,1]=4 8656 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [1,1,0,0,0,0|1,0,1]=4 8657 B10R0.55 CCC(=O)CCOCC(F)F 1458a_100000210414_200012177212 [1,1,0,0,0,0|2,0,0]=4 8658 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [1,1,0,0,0,0|1,0,1]=4 8659 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [1,1,0,0,0,0|1,0,0]=3 8660 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [1,1,0,0,0,0|1,0,0]=3 8661 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [1,1,0,0,0,0|1,0,0]=3 8662 B10R0.55 CCC(=O)COCOC(C)C 34a_100000725409_100000709892 [1,1,0,0,0,0|2,0,0]=4 8663 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [1,1,0,0,0,0|1,0,1]=4 8664 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [1,1,0,0,0,0|1,0,1]=4 8665 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [1,1,0,0,0,0|1,0,0]=3 8666 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [1,1,0,0,0,0|1,0,0]=3 8667 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [1,1,0,0,0,0|1,0,0]=3 8668 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [1,1,0,0,0,0|1,0,0]=3 8669 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [1,1,0,0,0,0|2,0,0]=4 8670 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [1,1,0,0,0,0|2,0,0]=4 8671 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [1,1,0,0,0,0|2,0,0]=4 8672 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [1,1,0,0,0,0|1,0,0]=3 8673 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [1,1,0,0,0,0|1,0,0]=3 8674 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [1,1,0,0,0,0|1,0,0]=3 8675 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [1,1,0,0,0,0|1,0,0]=3 8676 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [1,1,0,0,0,0|2,0,0]=4 8677 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [1,1,0,0,0,0|2,0,0]=4 8678 B10R0.55 CCC(=O)NCCCS(=O)C 11a_200000753449_100000210414 [1,1,0,0,0,0|2,0,0]=4 8679 B10R0.55 CCC(=O)NCCCS(=O)C 240690a_200000753449_100000210414 [1,1,0,0,0,0|2,0,0]=4 8680 B10R0.55 CCC(=O)NCCCS(=O)C 527a_200000753449_100000210414 [1,1,0,0,0,0|2,0,0]=4 8681 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [1,1,0,0,0,0|2,0,0]=4 8682 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [1,1,0,0,0,0|2,0,0]=4 8683 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [1,1,0,0,0,0|2,0,0]=4 8684 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [1,1,0,0,0,0|2,0,0]=4 8685 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [1,1,0,0,0,0|2,0,0]=4 8686 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [1,1,0,0,0,0|2,0,0]=4 8687 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [1,1,0,0,0,0|2,0,0]=4 8688 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [1,1,0,0,0,0|2,0,0]=4 8689 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [1,1,0,0,0,0|2,0,0]=4 8690 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [1,1,0,0,0,0|2,0,0]=4 8691 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [1,1,0,0,0,0|2,0,0]=4 8692 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [1,1,0,0,0,0|2,0,0]=4 8693 B10R0.55 CCN(C)CCCCC(C)C 2230a_100000225621_100011216152 [1,1,0,0,0,0|2,0,0]=4 8694 B10R0.55 CCN(C)CCCCC(C)C 269982a_100000225621_100011216152 [1,1,0,0,0,0|2,0,0]=4 8695 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [1,1,0,0,0,0|1,0,0]=3 8696 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [1,1,0,0,0,0|1,0,0]=3 8697 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [1,1,0,0,0,0|1,0,0]=3 8698 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [1,1,0,0,0,0|1,0,0]=3 8699 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [1,1,0,0,0,0|2,0,0]=4 8700 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [1,1,0,0,0,0|2,0,0]=4 8701 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [1,1,0,0,0,0|2,0,0]=4 8702 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [1,1,0,0,0,0|2,0,0]=4 8703 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [1,1,0,0,0,0|2,0,0]=4 8704 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [1,1,0,0,0,0|2,0,0]=4 8705 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [1,1,0,0,0,0|2,0,0]=4 8706 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [1,1,0,0,0,0|2,0,0]=4 8707 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [1,1,0,0,0,0|2,0,0]=4 8708 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [1,1,0,0,0,0|2,0,0]=4 8709 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [1,1,0,0,0,0|2,0,0]=4 8710 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [1,1,0,0,0,0|2,0,0]=4 8711 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [1,1,0,0,0,0|2,0,0]=4 8712 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [1,1,0,0,0,0|2,0,0]=4 8713 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [1,1,0,0,0,0|2,0,0]=4 8714 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [1,1,0,0,0,0|2,0,0]=4 8715 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [1,1,0,0,0,0|2,0,0]=4 8716 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [1,1,0,0,0,0|2,0,0]=4 8717 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [1,1,0,0,0,0|2,0,0]=4 8718 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [1,1,0,0,0,0|2,0,0]=4 8719 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [1,1,0,0,0,0|2,0,0]=4 8720 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [1,1,0,0,0,0|2,0,0]=4 8721 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [1,1,0,0,0,0|2,0,0]=4 8722 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [1,1,0,0,0,0|2,0,0]=4 8723 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [1,1,0,0,0,0|2,0,0]=4 8724 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [1,1,0,0,0,0|2,0,0]=4 8725 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [1,1,0,0,0,0|2,0,0]=4 8726 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [1,1,0,0,0,0|2,0,0]=4 8727 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [1,1,0,0,0,0|2,0,0]=4 8728 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [1,1,0,0,0,0|2,0,0]=4 8729 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [1,1,0,0,0,0|2,0,0]=4 8730 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [1,1,0,0,0,0|2,0,0]=4 8731 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [1,1,0,0,0,0|2,0,0]=4 8732 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [1,1,0,0,0,0|2,0,0]=4 8733 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [1,1,0,0,0,0|2,0,0]=4 8734 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [1,1,0,0,0,0|2,0,0]=4 8735 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [1,1,0,0,0,0|2,0,0]=4 8736 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [1,1,0,0,0,0|2,0,0]=4 8737 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [1,1,0,0,0,0|2,0,0]=4 8738 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [1,1,0,0,0,0|2,0,0]=4 8739 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [1,1,0,0,0,0|2,0,0]=4 8740 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [1,1,0,0,0,0|2,0,0]=4 8741 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [1,1,0,0,0,0|2,0,0]=4 8742 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [1,1,0,0,0,0|2,0,0]=4 8743 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [1,1,0,0,0,0|2,0,0]=4 8744 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [1,1,0,0,0,0|2,0,0]=4 8745 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [1,1,0,0,0,0|2,0,0]=4 8746 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [1,1,0,0,0,0|2,0,0]=4 8747 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [1,1,0,0,0,0|2,0,0]=4 8748 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [1,1,0,0,0,0|2,0,0]=4 8749 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [1,1,0,0,0,0|2,0,0]=4 8750 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [1,1,0,0,0,0|2,0,0]=4 8751 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [1,1,0,0,0,0|2,0,0]=4 8752 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [1,1,0,0,0,0|2,0,0]=4 8753 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [1,1,0,0,0,0|2,0,0]=4 8754 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [1,1,0,0,0,0|0,0,1]=3 8755 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [1,1,0,0,0,0|0,0,1]=3 8756 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [1,1,0,0,0,0|0,0,1]=3 8757 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [1,1,0,0,0,0|1,0,0]=3 8758 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [1,1,0,0,0,0|1,0,0]=3 8759 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [1,1,0,0,0,0|1,0,1]=4 8760 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [1,1,0,0,0,0|1,0,0]=3 8761 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [1,1,0,0,0,0|1,0,0]=3 8762 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [1,1,0,0,0,0|1,0,0]=3 8763 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [1,1,0,0,0,0|1,0,0]=3 8764 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [1,1,0,0,0,0|1,0,0]=3 8765 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [1,1,0,0,0,0|1,0,0]=3 8766 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [1,1,0,0,0,0|1,0,0]=3 8767 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [1,1,0,0,0,0|1,0,0]=3 8768 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [1,1,0,0,0,0|1,0,0]=3 8769 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [1,1,0,0,0,0|2,0,0]=4 8770 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [1,1,0,0,0,0|1,0,1]=4 8771 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [1,1,0,0,0,0|1,0,0]=3 8772 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [1,1,0,0,0,0|1,0,0]=3 8773 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [1,1,0,0,0,0|1,0,0]=3 8774 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [1,1,0,0,0,0|2,0,0]=4 8775 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [1,1,0,0,0,0|1,0,0]=3 8776 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [1,1,0,0,0,0|1,0,0]=3 8777 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [1,1,0,0,0,0|1,0,0]=3 8778 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [1,1,0,0,0,0|1,0,0]=3 8779 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [1,1,0,0,0,0|1,0,0]=3 8780 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [1,1,0,0,0,0|1,0,0]=3 8781 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [1,1,0,0,0,0|2,0,0]=4 8782 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [1,1,0,0,0,0|2,0,0]=4 8783 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [1,1,0,0,0,0|1,0,0]=3 8784 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [1,1,0,0,0,0|1,0,0]=3 8785 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [1,1,0,0,0,0|1,0,0]=3 8786 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [1,1,0,0,0,0|1,0,1]=4 8787 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [1,1,0,0,0,0|1,0,1]=4 8788 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [1,1,0,0,0,0|1,0,1]=4 8789 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [1,1,0,0,0,0|1,0,0]=3 8790 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [1,1,0,0,0,0|1,0,0]=3 8791 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [1,1,0,0,0,0|1,0,0]=3 8792 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [1,1,0,0,0,0|2,0,0]=4 8793 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [1,1,0,0,0,0|2,0,0]=4 8794 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [1,1,0,0,0,0|1,0,0]=3 8795 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [1,1,0,0,0,0|1,0,1]=4 8796 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [1,1,0,0,0,0|1,0,1]=4 8797 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [1,1,0,0,0,0|1,0,0]=3 8798 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [1,1,0,0,0,0|1,0,0]=3 8799 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [1,1,0,0,0,0|1,0,0]=3 8800 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [1,1,0,0,0,0|1,0,0]=3 8801 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [1,1,0,0,0,0|2,0,0]=4 8802 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [1,1,0,0,0,0|2,0,0]=4 8803 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [1,1,0,0,0,0|2,0,0]=4 8804 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [1,1,0,0,0,0|1,0,1]=4 8805 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [1,1,0,0,0,0|1,0,1]=4 8806 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [1,1,0,0,0,0|2,0,0]=4 8807 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [1,1,0,0,0,0|2,0,0]=4 8808 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [1,1,0,0,0,0|2,0,0]=4 8809 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [1,1,0,0,0,0|2,0,0]=4 8810 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [1,1,0,0,0,0|2,0,0]=4 8811 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [1,1,0,0,0,0|1,0,1]=4 8812 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [1,1,0,0,0,0|0,0,1]=3 8813 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [1,1,0,0,0,0|0,0,1]=3 8814 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [1,1,0,0,0,0|1,0,0]=3 8815 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [1,1,0,0,0,0|1,0,1]=4 8816 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [1,1,0,0,0,0|1,0,0]=3 8817 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [1,1,0,0,0,0|1,0,0]=3 8818 B10R0.59 CCC(=O)COCC(O)CO 34a_100000725409_100011219619 [1,1,0,0,0,0|2,0,0]=4 8819 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [1,1,0,0,0,0|1,0,0]=3 8820 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [1,1,0,0,0,0|1,0,0]=3 8821 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [1,1,0,0,0,0|2,0,0]=4 8822 B10R0.59 CCC(=O)COC[C@@H](O)CF 34a_100000725409_100015614560 [1,1,0,0,0,0|2,0,0]=4 8823 B10R0.59 CCC(=O)COC[C@@H](O)CO 34a_100000725409_100009815848 [1,1,0,0,0,0|2,0,0]=4 8824 B10R0.59 CCC(=O)CSCC(=O)CC 62a_100000747405_100000747405 [1,1,0,0,0,0|1,0,1]=4 8825 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [1,1,0,0,0,0|1,0,1]=4 8826 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [1,1,0,0,0,0|1,0,1]=4 8827 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [1,1,0,0,0,0|1,0,1]=4 8828 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [1,1,0,0,0,0|1,0,0]=3 8829 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [1,1,0,0,0,0|1,0,0]=3 8830 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [1,1,0,0,0,0|1,0,0]=3 8831 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [1,1,0,0,0,0|1,0,0]=3 8832 B10R0.59 CCC(=O)CSCC(O)CO 62a_100000747405_100011219619 [1,1,0,0,0,0|2,0,0]=4 8833 B10R0.59 CCC(=O)CSCC(O)CO 62a_100011219619_100000747405 [1,1,0,0,0,0|2,0,0]=4 8834 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [1,1,0,0,0,0|1,0,0]=3 8835 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [1,1,0,0,0,0|1,0,0]=3 8836 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [1,1,0,0,0,0|2,0,0]=4 8837 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [1,1,0,0,0,0|2,0,0]=4 8838 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100000747405_100015614560 [1,1,0,0,0,0|2,0,0]=4 8839 B10R0.59 CCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747405 [1,1,0,0,0,0|2,0,0]=4 8840 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100000747405_100009815848 [1,1,0,0,0,0|2,0,0]=4 8841 B10R0.59 CCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747405 [1,1,0,0,0,0|2,0,0]=4 8842 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [1,1,0,0,0,0|1,0,1]=4 8843 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 8844 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 8845 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 8846 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [1,1,0,0,0,0|1,0,0]=3 8847 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [1,1,0,0,0,0|2,0,0]=4 8848 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [1,1,0,0,0,0|2,0,0]=4 8849 B10R0.59 CCC(=O)NNCC(O)CC 22a_100015206393_100000210414 [1,1,0,0,0,0|2,0,0]=4 8850 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 8851 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [1,1,0,0,0,0|2,0,0]=4 8852 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [1,1,0,0,0,0|2,0,0]=4 8853 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 8854 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 8855 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [1,1,0,0,0,0|2,0,0]=4 8856 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [1,1,0,0,0,0|2,0,0]=4 8857 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [1,1,0,0,0,0|2,0,0]=4 8858 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [1,1,0,0,0,0|2,0,0]=4 8859 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [1,1,0,0,0,0|2,0,0]=4 8860 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [1,1,0,0,0,0|2,0,0]=4 8861 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [1,1,0,0,0,0|1,0,0]=3 8862 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [1,1,0,0,0,0|2,0,0]=4 8863 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [1,1,0,0,0,0|2,0,0]=4 8864 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [1,1,0,0,0,0|2,0,0]=4 8865 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [1,1,0,0,0,0|1,0,0]=3 8866 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [1,1,0,0,0,0|1,0,0]=3 8867 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [1,1,0,0,0,0|2,0,0]=4 8868 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [1,1,0,0,0,0|2,0,0]=4 8869 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [1,1,0,0,0,0|2,0,0]=4 8870 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [1,1,0,0,0,0|1,0,0]=3 8871 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [1,1,0,0,0,0|2,0,0]=4 8872 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [1,1,0,0,0,0|2,0,0]=4 8873 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [1,1,0,0,0,0|1,0,0]=3 8874 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [1,1,0,0,0,0|2,0,0]=4 8875 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [1,1,0,0,0,0|2,0,0]=4 8876 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [1,1,0,0,0,0|1,0,0]=3 8877 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [1,1,0,0,0,0|1,0,0]=3 8878 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [1,1,0,0,0,0|2,0,0]=4 8879 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [1,1,0,0,0,0|2,0,0]=4 8880 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [1,1,0,0,0,0|2,0,0]=4 8881 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [1,1,0,0,0,0|1,0,0]=3 8882 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [1,1,0,0,0,0|2,0,0]=4 8883 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [1,1,0,0,0,0|2,0,0]=4 8884 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [1,1,0,0,0,0|2,0,0]=4 8885 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [1,1,0,0,0,0|1,0,0]=3 8886 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [1,1,0,0,0,0|1,0,0]=3 8887 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [1,1,0,0,0,0|2,0,0]=4 8888 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [1,1,0,0,0,0|2,0,0]=4 8889 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [1,1,0,0,0,0|2,0,0]=4 8890 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [1,1,0,0,0,0|1,0,0]=3 8891 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [1,1,0,0,0,0|1,0,0]=3 8892 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [1,1,0,0,0,0|1,0,0]=3 8893 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [1,1,0,0,0,0|2,0,0]=4 8894 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [1,1,0,0,0,0|2,0,0]=4 8895 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [1,1,0,0,0,0|2,0,0]=4 8896 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [1,1,0,0,0,0|1,0,0]=3 8897 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [1,1,0,0,0,0|2,0,0]=4 8898 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [1,1,0,0,0,0|2,0,0]=4 8899 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [1,1,0,0,0,0|1,0,0]=3 8900 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [1,1,0,0,0,0|1,0,0]=3 8901 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [1,1,0,0,0,0|1,0,1]=4 8902 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [1,1,0,0,0,0|1,0,1]=4 8903 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [1,1,0,0,0,0|1,0,1]=4 8904 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [1,1,0,0,0,0|1,0,1]=4 8905 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [1,1,0,0,0,0|1,0,1]=4 8906 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [1,1,0,0,0,0|1,0,1]=4 8907 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [1,1,0,0,0,0|2,0,0]=4 8908 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [1,1,0,0,0,0|2,0,0]=4 8909 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [1,1,0,0,0,0|2,0,0]=4 8910 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [1,1,0,0,0,0|2,0,0]=4 8911 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [1,1,0,0,0,0|2,0,0]=4 8912 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [1,1,0,0,0,0|2,0,0]=4 8913 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [1,1,0,0,0,0|2,0,0]=4 8914 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [1,1,0,0,0,0|2,0,0]=4 8915 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [1,1,0,0,0,0|2,0,0]=4 8916 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [1,1,0,0,0,0|2,0,0]=4 8917 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [1,1,0,0,0,0|2,0,0]=4 8918 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [1,1,0,0,0,0|2,0,0]=4 8919 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [1,1,0,0,0,0|2,0,0]=4 8920 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [1,1,0,0,0,0|2,0,0]=4 8921 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [1,1,0,0,0,0|2,0,0]=4 8922 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [1,1,0,0,0,0|2,0,0]=4 8923 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [1,1,0,0,0,0|2,0,0]=4 8924 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [1,1,0,0,0,0|2,0,0]=4 8925 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [1,1,0,0,0,0|2,0,0]=4 8926 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [1,1,0,0,0,0|2,0,0]=4 8927 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [1,1,0,0,0,0|2,0,0]=4 8928 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [1,1,0,0,0,0|2,0,0]=4 8929 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [1,1,0,0,0,0|2,0,0]=4 8930 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [1,1,0,0,0,0|2,0,0]=4 8931 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [1,1,0,0,0,0|2,0,0]=4 8932 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [1,1,0,0,0,0|2,0,0]=4 8933 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [1,1,0,0,0,0|1,0,1]=4 8934 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [1,1,0,0,0,0|1,0,1]=4 8935 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [1,1,0,0,0,0|2,0,0]=4 8936 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [1,1,0,0,0,0|2,0,0]=4 8937 B10R0.62 CCCCCNS(=O)(=O)CC 270084a_100000209983_100000211323 [1,1,0,0,0,0|2,0,0]=4 8938 B10R0.62 CCCCCNS(=O)(=O)CC 274078a_100000209983_100000211323 [1,1,0,0,0,0|2,0,0]=4 8939 B10R0.62 CCCCCNS(=O)(=O)CC 40a_100000209983_100000053943 [1,1,0,0,0,0|2,0,0]=4 8940 B10R0.62 CCCNCCS(=O)(=O)CC 2230a_100000751051_100000210303 [1,1,0,0,0,0|2,0,0]=4 8941 B10R0.62 CCCNCCS(=O)(=O)CC 34a_100000751051_100000210303 [1,1,0,0,0,0|2,0,0]=4 8942 B10R0.62 CCCOCCS(=O)(=O)CC 34a_100000210258_100000756660 [1,1,0,0,0,0|2,0,0]=4 8943 B10R0.62 CCCOCCS(=O)(=O)CC 34a_200011216379_100000210303 [1,1,0,0,0,0|2,0,0]=4 8944 B10R0.62 CCCOCCS(=O)(=O)CC 7a_200011216379_100000210303 [1,1,0,0,0,0|2,0,0]=4 8945 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000210303_100000756660 [1,1,0,0,0,0|2,0,0]=4 8946 B10R0.62 CCCSCCS(=O)(=O)CC 62a_100000756660_100000210303 [1,1,0,0,0,0|2,0,0]=4 8947 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000210198_100010269958 [1,1,0,0,0,0|0,0,2]=4 8948 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000696528_100000210206 [1,1,0,0,0,0|0,0,2]=4 8949 B10R0.75 C#CCCCCC(=O)C(C)F 1458a_100000062450_100010269958 [1,1,0,0,0,0|0,0,2]=4 8950 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [1,1,0,0,0,0|0,0,2]=4 8951 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [1,1,0,0,0,0|0,0,2]=4 8952 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [1,1,0,0,0,0|0,0,1]=3 8953 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [1,1,0,0,0,0|1,0,1]=4 8954 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [1,1,0,0,0,0|1,0,1]=4 8955 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [1,1,0,0,0,0|1,0,1]=4 8956 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [1,1,0,0,0,0|1,0,1]=4 8957 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [1,1,0,0,0,0|1,0,1]=4 8958 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [1,1,0,0,0,0|1,0,1]=4 8959 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [1,1,0,0,0,0|1,0,1]=4 8960 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [1,1,0,0,0,0|1,0,1]=4 8961 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [1,1,0,0,0,0|0,0,2]=4 8962 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [1,1,0,0,0,0|0,0,2]=4 8963 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [1,1,0,0,0,0|0,0,2]=4 8964 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [1,1,0,0,0,0|0,0,2]=4 8965 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [1,1,0,0,0,0|0,0,2]=4 8966 B10R0.75 CC(C)C(=O)CCCCC#N 1458a_100000210198_100000211819 [1,1,0,0,0,0|1,0,1]=4 8967 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [1,1,0,0,0,0|1,0,0]=3 8968 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [1,1,0,0,0,0|1,0,0]=3 8969 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [1,1,0,0,0,0|1,0,0]=3 8970 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [1,1,0,0,0,0|2,0,0]=4 8971 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [1,1,0,0,0,0|2,0,0]=4 8972 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [1,1,0,0,0,0|2,0,0]=4 8973 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [1,1,0,0,0,0|2,0,0]=4 8974 B10R0.75 CC(C)C(=O)COCCCBr 34a_100011217188_100000753385 [1,1,0,0,0,0|2,0,0]=4 8975 B10R0.75 CC(C)C(=O)COCCCCl 34a_100000230001_100000753385 [1,1,0,0,0,0|2,0,0]=4 8976 B10R0.75 CC(C)C(=O)COCCCF 34a_100000759539_100000753385 [1,1,0,0,0,0|2,0,0]=4 8977 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [1,1,0,0,0,0|2,0,0]=4 8978 B10R0.75 CC(C)C(=O)CSCCCF 62a_100000753385_100011934791 [1,1,0,0,0,0|2,0,0]=4 8979 B10R0.75 CC(C)C(=O)CSCCCF 62a_100011934791_100000753385 [1,1,0,0,0,0|2,0,0]=4 8980 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [1,1,0,0,0,0|2,0,0]=4 8981 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [1,1,0,0,0,0|2,0,0]=4 8982 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [1,1,0,0,0,0|2,0,0]=4 8983 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [1,1,0,0,0,0|2,0,0]=4 8984 B10R0.75 CC(F)C(=O)CCCCC#N 1458a_100000062450_100000211819 [1,1,0,0,0,0|1,0,1]=4 8985 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [1,1,0,0,0,0|1,0,0]=3 8986 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [1,1,0,0,0,0|1,0,0]=3 8987 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [1,1,0,0,0,0|2,0,0]=4 8988 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [1,1,0,0,0,0|2,0,0]=4 8989 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [1,1,0,0,0,0|2,0,0]=4 8990 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [1,1,0,0,0,0|0,0,2]=4 8991 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [1,1,0,0,0,0|0,0,2]=4 8992 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [1,1,0,0,0,0|0,0,2]=4 8993 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [1,1,0,0,0,0|0,0,2]=4 8994 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [1,1,0,0,0,0|0,0,2]=4 8995 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [1,1,0,0,0,0|0,0,2]=4 8996 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [1,1,0,0,0,0|0,0,0]=2 8997 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [1,1,0,0,0,0|0,0,0]=2 8998 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [1,1,0,0,0,0|0,0,0]=2 8999 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [1,1,0,0,0,0|1,0,0]=3 9000 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [1,1,0,0,0,0|1,0,0]=3 9001 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [1,1,0,0,0,0|1,0,0]=3 9002 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [1,1,0,0,0,0|1,0,0]=3 9003 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [1,1,0,0,0,0|1,0,0]=3 9004 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [1,1,0,0,0,0|0,0,0]=2 9005 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [1,1,0,0,0,0|0,0,0]=2 9006 B10R0.75 CCCCCCN(C)C(C)C 2230a_106256046315_100000210206 [1,1,0,0,0,0|2,0,0]=4 9007 B10R0.75 CCCCCCN(C)C(C)C 269982a_106256046315_100000210206 [1,1,0,0,0,0|2,0,0]=4 9008 B10R0.75 CCCCCCN(C)C(C)C 269982a_200000211004_100000210757 [1,1,0,0,0,0|2,0,0]=4 9009 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [1,1,0,0,0,0|1,0,0]=3 9010 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [1,1,0,0,0,0|1,0,0]=3 9011 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [1,1,0,0,0,0|1,0,0]=3 9012 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [1,1,0,0,0,0|1,0,0]=3 9013 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [1,1,0,0,0,0|1,0,0]=3 9014 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [1,1,0,0,0,0|1,0,0]=3 9015 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [1,1,0,0,0,0|1,0,0]=3 9016 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [1,1,0,0,0,0|1,0,0]=3 9017 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [1,1,0,0,0,0|2,0,0]=4 9018 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [1,1,0,0,0,0|2,0,0]=4 9019 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [1,1,0,0,0,0|2,0,0]=4 9020 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [1,1,0,0,0,0|2,0,0]=4 9021 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [1,1,0,0,0,0|2,0,0]=4 9022 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [1,1,0,0,0,0|2,0,0]=4 9023 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [1,1,0,0,0,0|1,0,0]=3 9024 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [1,1,0,0,0,0|1,0,0]=3 9025 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [1,1,0,0,0,0|1,0,0]=3 9026 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [1,1,0,0,0,0|1,0,0]=3 9027 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [1,1,0,0,0,0|1,0,0]=3 9028 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [1,1,0,0,0,0|2,0,0]=4 9029 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [1,1,0,0,0,0|2,0,0]=4 9030 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [1,1,0,0,0,0|2,0,0]=4 9031 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [1,1,0,0,0,0|2,0,0]=4 9032 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [1,1,0,0,0,0|2,0,0]=4 9033 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [1,1,0,0,0,0|2,0,0]=4 9034 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [1,1,0,0,0,0|2,0,0]=4 9035 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [1,1,0,0,0,0|1,0,1]=4 9036 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [1,1,0,0,0,0|1,0,0]=3 9037 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [1,1,0,0,0,0|1,0,0]=3 9038 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [1,1,0,0,0,0|1,0,0]=3 9039 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [1,1,0,0,0,0|1,0,0]=3 9040 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [1,1,0,0,0,0|1,0,0]=3 9041 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [1,1,0,0,0,0|2,0,0]=4 9042 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [1,1,0,0,0,0|2,0,0]=4 9043 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [1,1,0,0,0,0|2,0,0]=4 9044 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [1,1,0,0,0,0|2,0,0]=4 9045 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [1,1,0,0,0,0|2,0,0]=4 9046 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [1,1,0,0,0,0|2,0,0]=4 9047 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [1,1,0,0,0,0|2,0,0]=4 9048 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [1,1,0,0,0,0|1,0,0]=3 9049 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [1,1,0,0,0,0|1,0,0]=3 9050 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [1,1,0,0,0,0|1,0,1]=4 9051 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [1,1,0,0,0,0|1,0,1]=4 9052 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [1,1,0,0,0,0|1,0,0]=3 9053 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [1,1,0,0,0,0|1,0,0]=3 9054 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [1,1,0,0,0,0|1,0,0]=3 9055 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [1,1,0,0,0,0|2,0,0]=4 9056 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [1,1,0,0,0,0|2,0,0]=4 9057 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [1,1,0,0,0,0|2,0,0]=4 9058 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [1,1,0,0,0,0|2,0,0]=4 9059 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [1,1,0,0,0,0|2,0,0]=4 9060 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [1,1,0,0,0,0|2,0,0]=4 9061 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [1,1,0,0,0,0|2,0,0]=4 9062 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [1,1,0,0,0,0|1,0,0]=3 9063 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [1,1,0,0,0,0|1,0,0]=3 9064 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [1,1,0,0,0,0|2,0,0]=4 9065 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [1,1,0,0,0,0|2,0,0]=4 9066 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [1,1,0,0,0,0|1,0,0]=3 9067 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [1,1,0,0,0,0|1,0,0]=3 9068 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [1,1,0,0,0,0|2,0,0]=4 9069 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [1,1,0,0,0,0|2,0,0]=4 9070 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [1,1,0,0,0,0|2,0,0]=4 9071 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [1,1,0,0,0,0|2,0,0]=4 9072 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [1,1,0,0,0,0|2,0,0]=4 9073 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [1,1,0,0,0,0|2,0,0]=4 9074 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [1,1,0,0,0,0|2,0,0]=4 9075 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [1,1,0,0,0,0|2,0,0]=4 9076 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [1,1,0,0,0,0|1,0,0]=3 9077 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [1,1,0,0,0,0|1,0,0]=3 9078 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [1,1,0,0,0,0|2,0,0]=4 9079 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [1,1,0,0,0,0|1,0,0]=3 9080 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [1,1,0,0,0,0|1,0,0]=3 9081 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [1,1,0,0,0,0|2,0,0]=4 9082 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [1,1,0,0,0,0|2,0,0]=4 9083 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [1,1,0,0,0,0|2,0,0]=4 9084 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [1,1,0,0,0,0|2,0,0]=4 9085 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [1,1,0,0,0,0|2,0,0]=4 9086 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [1,1,0,0,0,0|2,0,0]=4 9087 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [1,1,0,0,0,0|2,0,0]=4 9088 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [1,1,0,0,0,0|2,0,0]=4 9089 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [1,1,0,0,0,0|2,0,0]=4 9090 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [1,1,0,0,0,0|2,0,0]=4 9091 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [1,1,0,0,0,0|2,0,0]=4 9092 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000739092_100000753385 [1,1,0,0,0,0|2,0,0]=4 9093 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000753385_100000739092 [1,1,0,0,0,0|2,0,0]=4 9094 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [1,1,0,0,0,0|2,0,0]=4 9095 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [1,1,0,0,0,0|2,0,0]=4 9096 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [1,1,0,0,0,0|2,0,0]=4 9097 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [1,1,0,0,0,0|2,0,0]=4 9098 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [1,1,0,0,0,0|2,0,0]=4 9099 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [1,1,0,0,0,0|2,0,0]=4 9100 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [1,1,0,0,0,0|2,0,0]=4 9101 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [1,1,0,0,0,0|2,0,0]=4 9102 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [1,1,0,0,0,0|2,0,0]=4 9103 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [1,1,0,0,0,0|2,0,0]=4 9104 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [1,1,0,0,0,0|2,0,0]=4 9105 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [1,1,0,0,0,0|2,0,0]=4 9106 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [1,1,0,0,0,0|2,0,0]=4 9107 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [1,1,0,0,0,0|2,0,0]=4 9108 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [1,1,0,0,0,0|2,0,0]=4 9109 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [1,1,0,0,0,0|2,0,0]=4 9110 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [1,1,0,0,0,0|2,0,0]=4 9111 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [1,1,0,0,0,0|2,0,0]=4 9112 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [1,1,0,0,0,0|1,0,0]=3 9113 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [1,1,0,0,0,0|1,0,0]=3 9114 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [1,1,0,0,0,0|2,0,0]=4 9115 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [1,1,0,0,0,0|2,0,0]=4 9116 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [1,1,0,0,0,0|1,0,0]=3 9117 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [1,1,0,0,0,0|1,0,0]=3 9118 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [1,1,0,0,0,0|2,0,0]=4 9119 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [1,1,0,0,0,0|2,0,0]=4 9120 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [1,1,0,0,0,0|2,0,0]=4 9121 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [1,1,0,0,0,0|2,0,0]=4 9122 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [1,1,0,0,0,0|2,0,0]=4 9123 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [1,1,0,0,0,0|2,0,0]=4 9124 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [1,1,0,0,0,0|2,0,0]=4 9125 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [1,1,0,0,0,0|2,0,0]=4 9126 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [1,1,0,0,0,0|2,0,0]=4 9127 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [1,1,0,0,0,0|2,0,0]=4 9128 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [1,1,0,0,0,0|2,0,0]=4 9129 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [1,1,0,0,0,0|2,0,0]=4 9130 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [1,1,0,0,0,0|2,0,0]=4 9131 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [1,1,0,0,0,0|2,0,0]=4 9132 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [1,1,0,0,0,0|2,0,0]=4 9133 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [1,1,0,0,0,0|2,0,0]=4 9134 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [1,1,0,0,0,0|2,0,0]=4 9135 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [1,1,0,0,0,0|2,0,0]=4 9136 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [1,1,0,0,0,0|2,0,0]=4 9137 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [1,1,0,0,0,0|2,0,0]=4 9138 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [1,1,0,0,0,0|2,0,0]=4 9139 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [1,1,0,0,0,0|2,0,0]=4 9140 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [1,1,0,0,0,0|2,0,0]=4 9141 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [1,1,0,0,0,0|2,0,0]=4 9142 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [1,1,0,0,0,0|2,0,0]=4 9143 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [1,1,0,0,0,0|2,0,0]=4 9144 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [1,1,0,0,0,0|2,0,0]=4 9145 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [1,1,0,0,0,0|2,0,0]=4 9146 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [1,1,0,0,0,0|2,0,0]=4 9147 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [1,1,0,0,0,0|2,0,0]=4 9148 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [1,1,0,0,0,0|2,0,0]=4 9149 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [1,1,0,0,0,0|2,0,0]=4 9150 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [1,1,0,0,0,0|1,0,1]=4 9151 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [1,1,0,0,0,0|1,0,0]=3 9152 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [1,1,0,0,0,0|1,0,0]=3 9153 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [1,1,0,0,0,0|2,0,0]=4 9154 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [1,1,0,0,0,0|2,0,0]=4 9155 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [1,1,0,0,0,0|1,0,1]=4 9156 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [1,1,0,0,0,0|1,0,0]=3 9157 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [1,1,0,0,0,0|1,0,0]=3 9158 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [1,1,0,0,0,0|2,0,0]=4 9159 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [1,1,0,0,0,0|2,0,0]=4 9160 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [1,1,0,0,0,0|2,0,0]=4 9161 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [1,1,0,0,0,0|2,0,0]=4 9162 B12R0.2 CC(C)OC(=O)CN(C)CCCO 2230a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 9163 B12R0.2 CC(C)OC(=O)CN(C)CCCO 269982a_100000213112_100011215430 [0,2,0,0,0,0|2,0,0]=4 9164 B12R0.2 CCCCC(=O)CC(=O)NC(C)C 1458a_100000210183_100000183996 [0,2,0,0,0,0|1,0,1]=4 9165 B12R0.2 CCCCC(=O)CC(=O)OC(C)C 1458a_100000210183_100011215430 [0,2,0,0,0,0|0,0,1]=3 9166 B12R0.2 CCCCC(C)NC(=O)CC(C)C 11a_100000126638_100000210554 [0,2,0,0,0,0|2,0,0]=4 9167 B12R0.2 CCCCC(C)NC(=O)CC(C)C 1626a_100000126638_100000210554 [0,2,0,0,0,0|2,0,0]=4 9168 B12R0.2 CCCCC(C)NC(=O)CC(C)C 240690a_100000126638_100000210554 [0,2,0,0,0,0|2,0,0]=4 9169 B12R0.2 CCCCC(C)NC(=O)CC(C)C 527a_100000126638_100000210554 [0,2,0,0,0,0|2,0,0]=4 9170 B12R0.2 CCCCC(C)NC(=O)C[C@@H](C)O 240690a_100000126638_100011933948 [0,2,0,0,0,0|2,0,0]=4 9171 B12R0.2 CCCCC(C)NC(=O)NC(C)C 2708a_100000126638_100138425928 [0,2,0,0,0,0|2,0,0]=4 9172 B12R0.2 CCCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9173 B12R0.2 CCCCC(C)NC(=O)NC(C)C 273464a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9174 B12R0.2 CCCCC(C)NC(=O)NC(C)C 512a_100000126638_100138425928 [0,2,0,0,0,0|2,0,0]=4 9175 B12R0.2 CCCCC(C)NC(=O)NC(C)C 512a_100138425928_100000126638 [0,2,0,0,0,0|2,0,0]=4 9176 B12R0.2 CCCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210211 [0,2,0,0,0,0|2,0,0]=4 9177 B12R0.2 CCCCN(C)CC(=O)NC(C)C 2230a_100000207549_100000183996 [0,2,0,0,0,0|2,0,0]=4 9178 B12R0.2 CCCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210211 [0,2,0,0,0,0|2,0,0]=4 9179 B12R0.2 CCCCN(C)CC(=O)NC(C)C 269982a_100000207549_100000183996 [0,2,0,0,0,0|2,0,0]=4 9180 B12R0.2 CCCCN(C)CC(=O)OC(C)C 2230a_100000207549_100011215430 [0,2,0,0,0,0|1,0,0]=3 9181 B12R0.2 CCCCN(C)CC(=O)OC(C)C 269982a_100000207549_100011215430 [0,2,0,0,0,0|1,0,0]=3 9182 B12R0.2 CCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210303 [0,2,0,0,0,0|2,0,0]=4 9183 B12R0.2 CCCSC(C)OC(=O)OC(C)C 62a_100000210303_100000067433 [0,2,0,0,0,0|2,0,0]=4 9184 B12R0.2 CCOCC(=O)CC(=O)OC(C)C 1458a_100000211967_100011215430 [0,2,0,0,0,0|1,0,1]=4 9185 B12R0.2 CCSCC(=O)CC(=O)OC(C)C 1458a_100000230394_100011215430 [0,2,0,0,0,0|1,0,1]=4 9186 B12R0.2 COCCC(=O)CC(=O)OC(C)C 1458a_100000749529_100011215430 [0,2,0,0,0,0|1,0,1]=4 9187 B12R0.2 COCCN(C)CC(=O)OC(C)C 2230a_100000743101_100011215430 [0,2,0,0,0,0|2,0,0]=4 9188 B12R0.2 COCCN(C)CC(=O)OC(C)C 269982a_100000743101_100011215430 [0,2,0,0,0,0|2,0,0]=4 9189 B12R0.2 CSCCC(=O)CC(=O)OC(C)C 1458a_100000174002_100011215430 [0,2,0,0,0,0|1,0,1]=4 9190 B12R0.2 CSCCN(C)CC(=O)OC(C)C 2230a_100000686725_100011215430 [0,2,0,0,0,0|2,0,0]=4 9191 B12R0.2 CSCCN(C)CC(=O)OC(C)C 269982a_100000686725_100011215430 [0,2,0,0,0,0|2,0,0]=4 9192 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000210554_100012094781 [0,2,0,0,0,0|1,0,1]=4 9193 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000694772_100000210624 [0,2,0,0,0,0|1,0,1]=4 9194 B12R0.4 C#CCCCCCC(=O)CC(C)O 1458a_100000694772_100011218427 [0,2,0,0,0,0|1,0,1]=4 9195 B12R0.4 C#CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012094781 [0,2,0,0,0,0|1,0,1]=4 9196 B12R0.4 C#CCCCCCC(=O)NC(C)C 11a_100138425928_100000694772 [0,2,0,0,0,0|1,0,1]=4 9197 B12R0.4 C#CCCCCCC(=O)NC(C)C 1626a_100138425928_100000694772 [0,2,0,0,0,0|1,0,1]=4 9198 B12R0.4 C#CCCCCCC(=O)NC(C)C 240690a_100138425928_100000694772 [0,2,0,0,0,0|1,0,1]=4 9199 B12R0.4 C#CCCCCCC(=O)NC(C)C 527a_100138425928_100000694772 [0,2,0,0,0,0|1,0,1]=4 9200 B12R0.4 C#CCCCNCC(=O)OC(C)C 34a_100000718082_100011215430 [0,2,0,0,0,0|0,0,2]=4 9201 B12R0.4 C#CCCCOCC(=O)OC(C)C 34a_100000215630_100011215430 [0,2,0,0,0,0|0,0,2]=4 9202 B12R0.4 C#CCCCOCC(=O)OC(C)C 7a_100000215630_100011215430 [0,2,0,0,0,0|0,0,2]=4 9203 B12R0.4 C#CCCCSCC(=O)OC(C)C 62a_100011215417_100011215430 [0,2,0,0,0,0|0,0,2]=4 9204 B12R0.4 C#CCCCSCC(=O)OC(C)C 62a_100011215430_100011215417 [0,2,0,0,0,0|0,0,2]=4 9205 B12R0.4 C#CCCSCCC(=O)OC(C)C 62a_100000688953_100000760027 [0,2,0,0,0,0|0,0,2]=4 9206 B12R0.4 C#CCCSCCC(=O)OC(C)C 62a_100000760027_100000688953 [0,2,0,0,0,0|0,0,2]=4 9207 B12R0.4 C/C=C/CCOCC(=O)OC(C)C 34a_100016278192_100011215430 [0,2,0,0,0,0|0,0,2]=4 9208 B12R0.4 C/C=C/CSCCC(=O)OC(C)C 62a_100000760027_100102629194 [0,2,0,0,0,0|0,0,2]=4 9209 B12R0.4 C/C=C/CSCCC(=O)OC(C)C 62a_100102629194_100000760027 [0,2,0,0,0,0|0,0,2]=4 9210 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,2,0,0,0,0|1,0,1]=4 9211 B12R0.4 C=C(C)CC(=O)CCCCCCO 1458a_100011996774_100000748629 [0,2,0,0,0,0|1,0,1]=4 9212 B12R0.4 C=C(C)CC(=O)CCCCCOC 1458a_100011935119_100000748629 [0,2,0,0,0,0|1,0,1]=4 9213 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100000210554_100000700193 [0,2,0,0,0,0|1,0,1]=4 9214 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100011934241_100000210624 [0,2,0,0,0,0|1,0,1]=4 9215 B12R0.4 C=CCCCCCC(=O)CC(C)O 1458a_100011934241_100011218427 [0,2,0,0,0,0|1,0,1]=4 9216 B12R0.4 C=CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000700193 [0,2,0,0,0,0|1,0,1]=4 9217 B12R0.4 C=CCCCCCC(=O)NC(C)C 11a_100138425928_100011934241 [0,2,0,0,0,0|1,0,1]=4 9218 B12R0.4 C=CCCCCCC(=O)NC(C)C 1626a_100138425928_100011934241 [0,2,0,0,0,0|1,0,1]=4 9219 B12R0.4 C=CCCCCCC(=O)NC(C)C 240690a_100138425928_100011934241 [0,2,0,0,0,0|1,0,1]=4 9220 B12R0.4 C=CCCCCCC(=O)NC(C)C 527a_100138425928_100011934241 [0,2,0,0,0,0|1,0,1]=4 9221 B12R0.4 C=CCCCNCC(=O)OC(C)C 2230a_100000700776_100011215430 [0,2,0,0,0,0|0,0,2]=4 9222 B12R0.4 C=CCCCNCC(=O)OC(C)C 34a_100000700776_100011215430 [0,2,0,0,0,0|0,0,2]=4 9223 B12R0.4 C=CCCCOCC(=O)OC(C)C 34a_100000758997_100011215430 [0,2,0,0,0,0|0,0,2]=4 9224 B12R0.4 C=CCCCOCC(=O)OC(C)C 7a_100000758997_100011215430 [0,2,0,0,0,0|0,0,2]=4 9225 B12R0.4 C=CCCCSCC(=O)OC(C)C 62a_100011215430_100000757094 [0,2,0,0,0,0|0,0,2]=4 9226 B12R0.4 C=CCCCSCC(=O)OC(C)C 62a_100011713584_100011215430 [0,2,0,0,0,0|0,0,2]=4 9227 B12R0.4 C=CCCNCCC(=O)OC(C)C 2230a_100015191253_100000760027 [0,2,0,0,0,0|0,0,2]=4 9228 B12R0.4 C=CCCSCCC(=O)OC(C)C 62a_100000754431_100000760027 [0,2,0,0,0,0|0,0,2]=4 9229 B12R0.4 C=CCCSCCC(=O)OC(C)C 62a_100000760027_100000754431 [0,2,0,0,0,0|0,0,2]=4 9230 B12R0.4 CC#CCCOCC(=O)OC(C)C 34a_100000750427_100011215430 [0,2,0,0,0,0|0,0,2]=4 9231 B12R0.4 CC#CCNCCC(=O)OC(C)C 2230a_100000685387_100000760027 [0,2,0,0,0,0|0,0,2]=4 9232 B12R0.4 CC#CCSCCC(=O)OC(C)C 62a_100000748600_100000760027 [0,2,0,0,0,0|0,0,2]=4 9233 B12R0.4 CC#CCSCCC(=O)OC(C)C 62a_100000760027_100000748600 [0,2,0,0,0,0|0,0,2]=4 9234 B12R0.4 CC(=CC(=O)CCCCCCF)C 1458a_100000211388_100015922095 [0,2,0,0,0,0|1,0,1]=4 9235 B12R0.4 CC(=CC(=O)CCCCCCF)Cl 1458a_200042562850_100015922095 [0,2,0,0,0,0|1,0,1]=4 9236 B12R0.4 CC(=CC(=O)CCCCCCF)I 1458a_100025716642_100015922095 [0,2,0,0,0,0|1,0,1]=4 9237 B12R0.4 CC(=CC(=O)CCCCCCO)C 1458a_100000211388_100000766143 [0,2,0,0,0,0|1,0,1]=4 9238 B12R0.4 CC(=CC(=O)CCCCCCO)Cl 1458a_200042562850_100000766143 [0,2,0,0,0,0|1,0,1]=4 9239 B12R0.4 CC(=CC(=O)CCCCCCO)I 1458a_100025716642_100000766143 [0,2,0,0,0,0|1,0,1]=4 9240 B12R0.4 CC(C)CC(=O)CCCCCC#N 1458a_100000210554_100009813376 [0,2,0,0,0,0|1,0,1]=4 9241 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [0,2,0,0,0,0|1,0,0]=3 9242 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [0,2,0,0,0,0|1,0,0]=3 9243 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [0,2,0,0,0,0|1,0,0]=3 9244 B12R0.4 CC(C)CC(=O)NCCCCCO 240690a_100000762737_100000210554 [0,2,0,0,0,0|2,0,0]=4 9245 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [0,2,0,0,0,0|1,0,0]=3 9246 B12R0.4 CC(C)NC(=O)CCNCCCF 2230a_100015189416_100000737564 [0,2,0,0,0,0|2,0,0]=4 9247 B12R0.4 CC(C)NC(=O)CCSCCCF 62a_100000737564_100011934791 [0,2,0,0,0,0|2,0,0]=4 9248 B12R0.4 CC(C)NC(=O)CCSCCCF 62a_100011934791_100000737564 [0,2,0,0,0,0|2,0,0]=4 9249 B12R0.4 CC(C)NC(=O)CCSCCCO 62a_100000737564_100011215043 [0,2,0,0,0,0|2,0,0]=4 9250 B12R0.4 CC(C)NC(=O)CCSCCCO 62a_100011215043_100000737564 [0,2,0,0,0,0|2,0,0]=4 9251 B12R0.4 CC(C)NC(=O)CNCCCCF 2230a_100000168517_100000729493 [0,2,0,0,0,0|2,0,0]=4 9252 B12R0.4 CC(C)NC(=O)CNCCCCO 2230a_100000168517_100000210776 [0,2,0,0,0,0|2,0,0]=4 9253 B12R0.4 CC(C)NC(=O)CNCCCCO 2230a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 9254 B12R0.4 CC(C)NC(=O)CNCCCCO 34a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 9255 B12R0.4 CC(C)NC(=O)COCCCCBr 34a_100011216708_100000183996 [0,2,0,0,0,0|2,0,0]=4 9256 B12R0.4 CC(C)NC(=O)COCCCCCl 34a_100000210776_100000183996 [0,2,0,0,0,0|2,0,0]=4 9257 B12R0.4 CC(C)NC(=O)COCCCCCl 7a_100000210776_100000183996 [0,2,0,0,0,0|2,0,0]=4 9258 B12R0.4 CC(C)NC(=O)COCCCCF 34a_100011995726_100000183996 [0,2,0,0,0,0|2,0,0]=4 9259 B12R0.4 CC(C)NC(=O)COCCCCF 7a_100011995726_100000183996 [0,2,0,0,0,0|2,0,0]=4 9260 B12R0.4 CC(C)NC(=O)COCCCCI 34a_200012148704_100000183996 [0,2,0,0,0,0|2,0,0]=4 9261 B12R0.4 CC(C)NC(=O)COCCCCN 34a_100000750430_100000183996 [0,2,0,0,0,0|2,0,0]=4 9262 B12R0.4 CC(C)NC(=O)CSCCCCF 62a_100000183996_100000729493 [0,2,0,0,0,0|2,0,0]=4 9263 B12R0.4 CC(C)NC(=O)CSCCCCF 62a_100000729493_100000183996 [0,2,0,0,0,0|2,0,0]=4 9264 B12R0.4 CC(C)NC(=O)CSCCCCO 62a_100000183996_100000210776 [0,2,0,0,0,0|2,0,0]=4 9265 B12R0.4 CC(C)NC(=O)CSCCCCO 62a_100000210776_100000183996 [0,2,0,0,0,0|2,0,0]=4 9266 B12R0.4 CC(C)NC(=O)NCCCCCO 2708a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 9267 B12R0.4 CC(C)NC(=O)NCCCCCO 273464a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 9268 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100000762737_100138425928 [0,2,0,0,0,0|2,0,0]=4 9269 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100138425928_100000762737 [0,2,0,0,0,0|2,0,0]=4 9270 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [0,2,0,0,0,0|0,0,0]=2 9271 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [0,2,0,0,0,0|0,0,0]=2 9272 B12R0.4 CC(C)OC(=O)CCNCCCF 2230a_100015189416_100000760027 [0,2,0,0,0,0|1,0,0]=3 9273 B12R0.4 CC(C)OC(=O)CCSCCC#N 62a_100000760027_100011215226 [0,2,0,0,0,0|1,0,1]=4 9274 B12R0.4 CC(C)OC(=O)CCSCCC#N 62a_100011215226_100000760027 [0,2,0,0,0,0|1,0,1]=4 9275 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100000760027_100011934791 [0,2,0,0,0,0|1,0,0]=3 9276 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100011934791_100000760027 [0,2,0,0,0,0|1,0,0]=3 9277 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100000760027_100011215043 [0,2,0,0,0,0|1,0,0]=3 9278 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100011215043_100000760027 [0,2,0,0,0,0|1,0,0]=3 9279 B12R0.4 CC(C)OC(=O)CNCCCCO 2230a_100000750430_100011215430 [0,2,0,0,0,0|1,0,0]=3 9280 B12R0.4 CC(C)OC(=O)CNCCCCO 34a_100000750430_100011215430 [0,2,0,0,0,0|1,0,0]=3 9281 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [0,2,0,0,0,0|1,0,0]=3 9282 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [0,2,0,0,0,0|1,0,0]=3 9283 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [0,2,0,0,0,0|1,0,0]=3 9284 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [0,2,0,0,0,0|1,0,0]=3 9285 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [0,2,0,0,0,0|1,0,0]=3 9286 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [0,2,0,0,0,0|1,0,0]=3 9287 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [0,2,0,0,0,0|1,0,0]=3 9288 B12R0.4 CC(C)OC(=O)CSCCCC#N 62a_100000687738_100011215430 [0,2,0,0,0,0|1,0,1]=4 9289 B12R0.4 CC(C)OC(=O)CSCCCC#N 62a_100011215430_100000687738 [0,2,0,0,0,0|1,0,1]=4 9290 B12R0.4 CC(C)OC(=O)CSCCCC=O 62a_100011215430_200011292268 [0,2,0,0,0,0|1,0,1]=4 9291 B12R0.4 CC(C)OC(=O)CSCCCC=O 62a_200011292268_100011215430 [0,2,0,0,0,0|1,0,1]=4 9292 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100000729493_100011215430 [0,2,0,0,0,0|1,0,0]=3 9293 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100011215430_100000729493 [0,2,0,0,0,0|1,0,0]=3 9294 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100000210776_100011215430 [0,2,0,0,0,0|1,0,0]=3 9295 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100011215430_100000210776 [0,2,0,0,0,0|1,0,0]=3 9296 B12R0.4 CC(C)OC(=O)OCSCCCF 62a_100000003507_100011934791 [0,2,0,0,0,0|2,0,0]=4 9297 B12R0.4 CC(C)OC(=O)OCSCCCF 62a_100011934791_100000003507 [0,2,0,0,0,0|2,0,0]=4 9298 B12R0.4 CC(C)OC(=O)OCSCCCO 62a_100000003507_100011215043 [0,2,0,0,0,0|2,0,0]=4 9299 B12R0.4 CC(C)OC(=O)OCSCCCO 62a_100011215043_100000003507 [0,2,0,0,0,0|2,0,0]=4 9300 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,2,0,0,0,0|1,0,0]=3 9301 B12R0.4 CC/C=C\COCC(=O)OC(C)C 34a_100016268518_100011215430 [0,2,0,0,0,0|0,0,2]=4 9302 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100011215430_100103147603 [0,2,0,0,0,0|0,0,2]=4 9303 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100103147603_100011215430 [0,2,0,0,0,0|0,0,2]=4 9304 B12R0.4 CC=CCSCCC(=O)OC(C)C 62a_100000070051_100000760027 [0,2,0,0,0,0|0,0,2]=4 9305 B12R0.4 CC=CCSCCC(=O)OC(C)C 62a_100000760027_100000070051 [0,2,0,0,0,0|0,0,2]=4 9306 B12R0.4 CCC#CCOCC(=O)OC(C)C 34a_100000032950_100011215430 [0,2,0,0,0,0|0,0,2]=4 9307 B12R0.4 CCC#CCSCC(=O)OC(C)C 62a_100009813939_100011215430 [0,2,0,0,0,0|0,0,2]=4 9308 B12R0.4 CCC#CCSCC(=O)OC(C)C 62a_100011215430_100009813939 [0,2,0,0,0,0|0,0,2]=4 9309 B12R0.4 CCCC/C=C/CC(=O)CC(C)C 1458a_200016282684_100000210624 [0,2,0,0,0,0|1,0,1]=4 9310 B12R0.4 CCCC/C=C/CC(=O)CC(C)O 1458a_200016282684_100011218427 [0,2,0,0,0,0|1,0,1]=4 9311 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016282684 [0,2,0,0,0,0|1,0,1]=4 9312 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016282684 [0,2,0,0,0,0|1,0,1]=4 9313 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016282684 [0,2,0,0,0,0|1,0,1]=4 9314 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016282684 [0,2,0,0,0,0|1,0,1]=4 9315 B12R0.4 CCCCCC#CC(=O)CC(C)C 1458a_100011215388_100000210624 [0,2,0,0,0,0|1,0,1]=4 9316 B12R0.4 CCCCCC#CC(=O)CC(C)O 1458a_100011215388_100011218427 [0,2,0,0,0,0|1,0,1]=4 9317 B12R0.4 CCCCCC#CC(=O)NC(C)C 240690a_100138425928_100011215388 [0,2,0,0,0,0|1,0,1]=4 9318 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,2,0,0,0,0|1,0,1]=4 9319 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,2,0,0,0,0|1,0,1]=4 9320 B12R0.4 CCCCCC=CC(=O)NC(C)C 11a_100138425928_100016263427 [0,2,0,0,0,0|1,0,1]=4 9321 B12R0.4 CCCCCC=CC(=O)NC(C)C 1626a_100138425928_100016263427 [0,2,0,0,0,0|1,0,1]=4 9322 B12R0.4 CCCCCC=CC(=O)NC(C)C 240690a_100138425928_100016263427 [0,2,0,0,0,0|1,0,1]=4 9323 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,2,0,0,0,0|1,0,1]=4 9324 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,2,0,0,0,0|1,0,1]=4 9325 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,2,0,0,0,0|1,0,1]=4 9326 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,2,0,0,0,0|1,0,0]=3 9327 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,2,0,0,0,0|1,0,0]=3 9328 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,2,0,0,0,0|1,0,0]=3 9329 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,2,0,0,0,0|2,0,0]=4 9330 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,2,0,0,0,0|2,0,0]=4 9331 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,2,0,0,0,0|1,0,0]=3 9332 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,2,0,0,0,0|2,0,0]=4 9333 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 9334 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 9335 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 9336 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,2,0,0,0,0|1,0,0]=3 9337 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,2,0,0,0,0|1,0,1]=4 9338 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,2,0,0,0,0|1,0,1]=4 9339 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,2,0,0,0,0|1,0,1]=4 9340 B12R0.4 CCCCCCNC(=O)C=C(C)C 11a_100000210581_100000211388 [0,2,0,0,0,0|1,0,1]=4 9341 B12R0.4 CCCCCCNC(=O)C=C(C)C 1626a_100000210581_100000211388 [0,2,0,0,0,0|1,0,1]=4 9342 B12R0.4 CCCCCCNC(=O)C=C(C)C 240690a_100000210581_100000211388 [0,2,0,0,0,0|1,0,1]=4 9343 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 11a_100000210581_200042562850 [0,2,0,0,0,0|1,0,1]=4 9344 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 1626a_100000210581_200042562850 [0,2,0,0,0,0|1,0,1]=4 9345 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 240690a_100000210581_200042562850 [0,2,0,0,0,0|1,0,1]=4 9346 B12R0.4 CCCCCCNC(=O)C=C(C)I 11a_100000210581_100025716642 [0,2,0,0,0,0|1,0,1]=4 9347 B12R0.4 CCCCCCNC(=O)C=C(C)I 1626a_100000210581_100025716642 [0,2,0,0,0,0|1,0,1]=4 9348 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,2,0,0,0,0|1,0,1]=4 9349 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 9350 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 9351 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 9352 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,2,0,0,0,0|1,0,0]=3 9353 B12R0.4 CCCCCCNC(=O)CN(C)C 11a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 9354 B12R0.4 CCCCCCNC(=O)CN(C)C 2230a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 9355 B12R0.4 CCCCCCNC(=O)CN(C)C 240690a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 9356 B12R0.4 CCCCCCNC(=O)CN(C)C 269982a_100102631434_100000230325 [0,2,0,0,0,0|2,0,0]=4 9357 B12R0.4 CCCCCCNC(=O)CN(C)C 527a_100000210581_100000750896 [0,2,0,0,0,0|2,0,0]=4 9358 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,2,0,0,0,0|1,0,0]=3 9359 B12R0.4 CCCCCCNC(=O)C[S+](C)C 11a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 9360 B12R0.4 CCCCCCNC(=O)C[S+](C)C 1626a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 9361 B12R0.4 CCCCCCNC(=O)C[S+](C)C 240690a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 9362 B12R0.4 CCCCCCNC(=O)C[S+](C)C 527a_100000210581_200159257847 [0,2,0,0,0,0|2,0,0]=4 9363 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,2,0,0,0,0|1,0,0]=3 9364 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,2,0,0,0,0|1,0,0]=3 9365 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,2,0,0,0,0|1,0,0]=3 9366 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,2,0,0,0,0|1,0,0]=3 9367 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,2,0,0,0,0|1,0,0]=3 9368 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [0,2,0,0,0,0|1,0,0]=3 9369 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [0,2,0,0,0,0|1,0,0]=3 9370 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [0,2,0,0,0,0|0,0,0]=2 9371 B12R0.4 CCCCCNNC(=O)CC(C)C 22a_100000694160_100000210554 [0,2,0,0,0,0|2,0,0]=4 9372 B12R0.4 CCCCCNNC(=O)C[C@@H](C)O 22a_100000694160_100011933948 [0,2,0,0,0,0|2,0,0]=4 9373 B12R0.4 CCCCCNNC(=O)NC(C)C 273464a_100138425928_100000694160 [0,2,0,0,0,0|2,0,0]=4 9374 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100000694160_100138425928 [0,2,0,0,0,0|2,0,0]=4 9375 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100138425928_100000694160 [0,2,0,0,0,0|2,0,0]=4 9376 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,2,0,0,0,0|1,0,1]=4 9377 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,2,0,0,0,0|1,0,0]=3 9378 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,2,0,0,0,0|1,0,0]=3 9379 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,2,0,0,0,0|0,0,0]=2 9380 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,2,0,0,0,0|0,0,0]=2 9381 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,2,0,0,0,0|1,0,1]=4 9382 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [0,2,0,0,0,0|1,0,0]=3 9383 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [0,2,0,0,0,0|1,0,0]=3 9384 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [0,2,0,0,0,0|0,0,0]=2 9385 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [0,2,0,0,0,0|0,0,0]=2 9386 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [0,2,0,0,0,0|1,0,0]=3 9387 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [0,2,0,0,0,0|1,0,0]=3 9388 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [0,2,0,0,0,0|0,0,0]=2 9389 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [0,2,0,0,0,0|0,0,0]=2 9390 B12R0.4 CCCCOCCC(=O)C=C(C)C 1458a_100000211388_100000743108 [0,2,0,0,0,0|1,0,1]=4 9391 B12R0.4 CCCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100000743108 [0,2,0,0,0,0|1,0,1]=4 9392 B12R0.4 CCCCOCCC(=O)C=C(C)I 1458a_100025716642_100000743108 [0,2,0,0,0,0|1,0,1]=4 9393 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [0,2,0,0,0,0|1,0,0]=3 9394 B12R0.4 CCCCOCCC(=O)CN(C)C 1458a_100000750896_100000743108 [0,2,0,0,0,0|2,0,0]=4 9395 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,2,0,0,0,0|1,0,0]=3 9396 B12R0.4 CCCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000743108 [0,2,0,0,0,0|2,0,0]=4 9397 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [0,2,0,0,0,0|1,0,0]=3 9398 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [0,2,0,0,0,0|0,0,0]=2 9399 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [0,2,0,0,0,0|1,0,0]=3 9400 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [0,2,0,0,0,0|1,0,0]=3 9401 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [0,2,0,0,0,0|0,0,0]=2 9402 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [0,2,0,0,0,0|0,0,0]=2 9403 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [0,2,0,0,0,0|1,0,0]=3 9404 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [0,2,0,0,0,0|1,0,0]=3 9405 B12R0.4 CCCOCCNC(=O)CC(C)C 1626a_100161115042_100000210554 [0,2,0,0,0,0|2,0,0]=4 9406 B12R0.4 CCCOCCNC(=O)CC(C)C 240690a_100161115042_100000210554 [0,2,0,0,0,0|2,0,0]=4 9407 B12R0.4 CCCOCCNC(=O)CC(C)C 527a_100161115042_100000210554 [0,2,0,0,0,0|2,0,0]=4 9408 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 240690a_100161115042_100011933948 [0,2,0,0,0,0|2,0,0]=4 9409 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 9410 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100161115042_100138425928 [0,2,0,0,0,0|2,0,0]=4 9411 B12R0.4 CCCOCCNC(=O)NC(C)C 273464a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 9412 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100138425928_100161115042 [0,2,0,0,0,0|2,0,0]=4 9413 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100161115042_100138425928 [0,2,0,0,0,0|2,0,0]=4 9414 B12R0.4 CCCSCCNC(=O)CC(C)C 11a_100020603323_100000210554 [0,2,0,0,0,0|2,0,0]=4 9415 B12R0.4 CCCSCCNC(=O)CC(C)C 240690a_100020603323_100000210554 [0,2,0,0,0,0|2,0,0]=4 9416 B12R0.4 CCCSCCNC(=O)CC(C)C 527a_100020603323_100000210554 [0,2,0,0,0,0|2,0,0]=4 9417 B12R0.4 CCCSCCNC(=O)C[C@@H](C)O 240690a_100020603323_100011933948 [0,2,0,0,0,0|2,0,0]=4 9418 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100020603323_100138425928 [0,2,0,0,0,0|2,0,0]=4 9419 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 9420 B12R0.4 CCCSCCNC(=O)NC(C)C 273464a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 9421 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100020603323_100138425928 [0,2,0,0,0,0|2,0,0]=4 9422 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100138425928_100020603323 [0,2,0,0,0,0|2,0,0]=4 9423 B12R0.4 CCOCCCNC(=O)CC(C)C 11a_100000210961_100000210554 [0,2,0,0,0,0|2,0,0]=4 9424 B12R0.4 CCOCCCNC(=O)CC(C)C 1626a_100000210961_100000210554 [0,2,0,0,0,0|2,0,0]=4 9425 B12R0.4 CCOCCCNC(=O)CC(C)C 240690a_100000210961_100000210554 [0,2,0,0,0,0|2,0,0]=4 9426 B12R0.4 CCOCCCNC(=O)CC(C)C 527a_100000210961_100000210554 [0,2,0,0,0,0|2,0,0]=4 9427 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O 240690a_100000210961_100011933948 [0,2,0,0,0,0|2,0,0]=4 9428 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100000210961_100138425928 [0,2,0,0,0,0|2,0,0]=4 9429 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 9430 B12R0.4 CCOCCCNC(=O)NC(C)C 273464a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 9431 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100000210961_100138425928 [0,2,0,0,0,0|2,0,0]=4 9432 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100138425928_100000210961 [0,2,0,0,0,0|2,0,0]=4 9433 B12R0.4 CCOCCNCC(=O)NC(C)C 2230a_100000168517_100011215890 [0,2,0,0,0,0|2,0,0]=4 9434 B12R0.4 CCOCCNCC(=O)NC(C)C 2230a_102516460346_100000183996 [0,2,0,0,0,0|2,0,0]=4 9435 B12R0.4 CCOCCNCC(=O)NC(C)C 34a_102516460346_100000183996 [0,2,0,0,0,0|2,0,0]=4 9436 B12R0.4 CCOCCNCC(=O)OC(C)C 2230a_102516460346_100011215430 [0,2,0,0,0,0|1,0,0]=3 9437 B12R0.4 CCOCCNCC(=O)OC(C)C 34a_102516460346_100011215430 [0,2,0,0,0,0|1,0,0]=3 9438 B12R0.4 CCOCCOCC(=O)NC(C)C 34a_100000210136_100000183996 [0,2,0,0,0,0|2,0,0]=4 9439 B12R0.4 CCOCCOCC(=O)NC(C)C 7a_100000210136_100000183996 [0,2,0,0,0,0|2,0,0]=4 9440 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [0,2,0,0,0,0|1,0,0]=3 9441 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [0,2,0,0,0,0|1,0,0]=3 9442 B12R0.4 CCOCCSCC(=O)NC(C)C 62a_100000183996_100011215890 [0,2,0,0,0,0|2,0,0]=4 9443 B12R0.4 CCOCCSCC(=O)NC(C)C 62a_100000210147_100000183996 [0,2,0,0,0,0|2,0,0]=4 9444 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100000210147_100011215430 [0,2,0,0,0,0|1,0,0]=3 9445 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100011215430_100011215890 [0,2,0,0,0,0|1,0,0]=3 9446 B12R0.4 CCOCSCCC(=O)NC(C)C 62a_100000737564_100000739092 [0,2,0,0,0,0|2,0,0]=4 9447 B12R0.4 CCOCSCCC(=O)NC(C)C 62a_100000739092_100000737564 [0,2,0,0,0,0|2,0,0]=4 9448 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000739092_100000760027 [0,2,0,0,0,0|1,0,0]=3 9449 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000760027_100000739092 [0,2,0,0,0,0|1,0,0]=3 9450 B12R0.4 CCOCSCOC(=O)OC(C)C 62a_100000003507_100000739092 [0,2,0,0,0,0|2,0,0]=4 9451 B12R0.4 CCOCSCOC(=O)OC(C)C 62a_100000739092_100000003507 [0,2,0,0,0,0|2,0,0]=4 9452 B12R0.4 CCSCCNCC(=O)NC(C)C 2230a_100000106463_100000183996 [0,2,0,0,0,0|2,0,0]=4 9453 B12R0.4 CCSCCNCC(=O)NC(C)C 2230a_100000168517_100000757381 [0,2,0,0,0,0|2,0,0]=4 9454 B12R0.4 CCSCCNCC(=O)OC(C)C 2230a_100000106463_100011215430 [0,2,0,0,0,0|1,0,0]=3 9455 B12R0.4 CCSCCOCC(=O)NC(C)C 34a_100000212035_100000183996 [0,2,0,0,0,0|2,0,0]=4 9456 B12R0.4 CCSCCOCC(=O)NC(C)C 7a_100000212035_100000183996 [0,2,0,0,0,0|2,0,0]=4 9457 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [0,2,0,0,0,0|1,0,0]=3 9458 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [0,2,0,0,0,0|1,0,0]=3 9459 B12R0.4 CCSCCSCC(=O)NC(C)C 62a_100000183996_100000757381 [0,2,0,0,0,0|2,0,0]=4 9460 B12R0.4 CCSCCSCC(=O)NC(C)C 62a_100000757381_100000183996 [0,2,0,0,0,0|2,0,0]=4 9461 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100000757381_100011215430 [0,2,0,0,0,0|1,0,0]=3 9462 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100011215430_100000757381 [0,2,0,0,0,0|1,0,0]=3 9463 B12R0.4 CN(C)CC(=O)CCCCCCF 1458a_100000750896_100015922095 [0,2,0,0,0,0|2,0,0]=4 9464 B12R0.4 CN(C)CC(=O)CCCCCCO 1458a_100000750896_100000766143 [0,2,0,0,0,0|2,0,0]=4 9465 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [0,2,0,0,0,0|0,0,0]=2 9466 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [0,2,0,0,0,0|0,0,0]=2 9467 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [0,2,0,0,0,0|0,0,0]=2 9468 B12R0.4 CNCCCOCC(=O)NC(C)C 34a_100000213112_100000183996 [0,2,0,0,0,0|2,0,0]=4 9469 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [0,2,0,0,0,0|1,0,0]=3 9470 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [0,2,0,0,0,0|1,0,0]=3 9471 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,2,0,0,0,0|1,0,0]=3 9472 B12R0.4 COCCCCCC(=O)CC(F)F 1458a_100011935119_100011934356 [0,2,0,0,0,0|2,0,0]=4 9473 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [0,2,0,0,0,0|1,0,0]=3 9474 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [0,2,0,0,0,0|1,0,0]=3 9475 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [0,2,0,0,0,0|1,0,0]=3 9476 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [0,2,0,0,0,0|1,0,0]=3 9477 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [0,2,0,0,0,0|0,0,0]=2 9478 B12R0.4 COCCCNCC(=O)NC(C)C 2230a_100000168517_100000740836 [0,2,0,0,0,0|2,0,0]=4 9479 B12R0.4 COCCCNCC(=O)NC(C)C 34a_100150723488_100000183996 [0,2,0,0,0,0|2,0,0]=4 9480 B12R0.4 COCCCNCC(=O)OC(C)C 34a_100150723488_100011215430 [0,2,0,0,0,0|1,0,0]=3 9481 B12R0.4 COCCCOCC(=O)NC(C)C 34a_100000740835_100000183996 [0,2,0,0,0,0|2,0,0]=4 9482 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [0,2,0,0,0,0|1,0,0]=3 9483 B12R0.4 COCCCSCC(=O)NC(C)C 62a_100000183996_100000709357 [0,2,0,0,0,0|2,0,0]=4 9484 B12R0.4 COCCCSCC(=O)NC(C)C 62a_100000709357_100000183996 [0,2,0,0,0,0|2,0,0]=4 9485 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100000709357_100011215430 [0,2,0,0,0,0|1,0,0]=3 9486 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100011215430_100000709357 [0,2,0,0,0,0|1,0,0]=3 9487 B12R0.4 COCCNCCC(=O)NC(C)C 2230a_100000209980_100000737564 [0,2,0,0,0,0|2,0,0]=4 9488 B12R0.4 COCCNCCC(=O)OC(C)C 2230a_100000209980_100000760027 [0,2,0,0,0,0|1,0,0]=3 9489 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000210554_100000695917 [0,2,0,0,0,0|2,0,0]=4 9490 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000745395_100000210624 [0,2,0,0,0,0|2,0,0]=4 9491 B12R0.4 COCCOCCC(=O)CC(C)O 1458a_100000745395_100011218427 [0,2,0,0,0,0|2,0,0]=4 9492 B12R0.4 COCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000695917 [0,2,0,0,0,0|2,0,0]=4 9493 B12R0.4 COCCOCCC(=O)NC(C)C 11a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 9494 B12R0.4 COCCOCCC(=O)NC(C)C 1626a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 9495 B12R0.4 COCCOCCC(=O)NC(C)C 240690a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 9496 B12R0.4 COCCOCCC(=O)NC(C)C 527a_100138425928_100000745395 [0,2,0,0,0,0|2,0,0]=4 9497 B12R0.4 COCCSCCC(=O)NC(C)C 62a_100000233755_100000737564 [0,2,0,0,0,0|2,0,0]=4 9498 B12R0.4 COCCSCCC(=O)NC(C)C 62a_100000737564_100000233755 [0,2,0,0,0,0|2,0,0]=4 9499 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000233755_100000760027 [0,2,0,0,0,0|1,0,0]=3 9500 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000760027_100000233755 [0,2,0,0,0,0|1,0,0]=3 9501 B12R0.4 COCCSCOC(=O)OC(C)C 62a_100000003507_100000233755 [0,2,0,0,0,0|2,0,0]=4 9502 B12R0.4 COCCSCOC(=O)OC(C)C 62a_100000233755_100000003507 [0,2,0,0,0,0|2,0,0]=4 9503 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [0,2,0,0,0,0|0,0,0]=2 9504 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [0,2,0,0,0,0|0,0,0]=2 9505 B12R0.4 CSCCCNCC(=O)NC(C)C 2230a_100000749238_100000183996 [0,2,0,0,0,0|2,0,0]=4 9506 B12R0.4 CSCCCNCC(=O)OC(C)C 2230a_100000749238_100011215430 [0,2,0,0,0,0|1,0,0]=3 9507 B12R0.4 CSCCCOCC(=O)NC(C)C 34a_100000690336_100000183996 [0,2,0,0,0,0|2,0,0]=4 9508 B12R0.4 CSCCCOCC(=O)NC(C)C 7a_100000690336_100000183996 [0,2,0,0,0,0|2,0,0]=4 9509 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [0,2,0,0,0,0|1,0,0]=3 9510 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [0,2,0,0,0,0|1,0,0]=3 9511 B12R0.4 CSCCNCCC(=O)NC(C)C 2230a_100020590264_100000737564 [0,2,0,0,0,0|2,0,0]=4 9512 B12R0.4 CSCCNCCC(=O)OC(C)C 2230a_100020590264_100000760027 [0,2,0,0,0,0|1,0,0]=3 9513 B12R0.4 CSCCOCCC(=O)NC(C)C 7a_100000230434_100000737564 [0,2,0,0,0,0|2,0,0]=4 9514 B12R0.4 CSCCOCCC(=O)OC(C)C 7a_100000230434_100000760027 [0,2,0,0,0,0|1,0,0]=3 9515 B12R0.4 CSCCSCCC(=O)NC(C)C 62a_100000212216_100000737564 [0,2,0,0,0,0|2,0,0]=4 9516 B12R0.4 CSCCSCCC(=O)NC(C)C 62a_100000737564_100000751147 [0,2,0,0,0,0|2,0,0]=4 9517 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000212216_100000760027 [0,2,0,0,0,0|1,0,0]=3 9518 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000760027_100000751147 [0,2,0,0,0,0|1,0,0]=3 9519 B12R0.4 CSCCSCOC(=O)OC(C)C 62a_100000003507_100000751147 [0,2,0,0,0,0|2,0,0]=4 9520 B12R0.4 CSCCSCOC(=O)OC(C)C 62a_100000212216_100000003507 [0,2,0,0,0,0|2,0,0]=4 9521 B12R0.4 C[C@@H](O)CC(=O)CCCCCC#N 1458a_100011933948_100009813376 [0,2,0,0,0,0|1,0,1]=4 9522 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,2,0,0,0,0|1,0,0]=3 9523 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,2,0,0,0,0|1,0,0]=3 9524 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 240690a_100000762737_100011933948 [0,2,0,0,0,0|2,0,0]=4 9525 B12R0.4 C[S+](C)CC(=O)CCCCCCF 1458a_200159257847_100015922095 [0,2,0,0,0,0|2,0,0]=4 9526 B12R0.4 C[S+](C)CC(=O)CCCCCCO 1458a_200159257847_100000766143 [0,2,0,0,0,0|2,0,0]=4 9527 B12R0.4 O=C(CCCCCCO)CC(F)F 1458a_100011996774_100011934356 [0,2,0,0,0,0|2,0,0]=4 9528 B12R0.46 CC(C)C(C)C(=O)CCCCCF 1458a_100000755409_100000729378 [0,2,0,0,0,0|2,0,0]=4 9529 B12R0.46 CC(C)C(C)C(=O)CCCCCO 1458a_100000755409_100000746330 [0,2,0,0,0,0|2,0,0]=4 9530 B12R0.46 CC(C)N(C)C(=O)CCCCCO 240690a_200000211004_100102619762 [0,2,0,0,0,0|2,0,0]=4 9531 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCCF 1458a_100000691806_100000729378 [0,2,0,0,0,0|2,0,0]=4 9532 B12R0.46 CC(C)[C@@H](O)C(=O)CCCCCO 1458a_100000691806_100000746330 [0,2,0,0,0,0|2,0,0]=4 9533 B12R0.46 CCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210757 [0,2,0,0,0,0|2,0,0]=4 9534 B12R0.46 CCCCCCC(=O)C(C)C(=O)C 1458a_100102632555_100000179758 [0,2,0,0,0,0|1,0,1]=4 9535 B12R0.46 CCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210757 [0,2,0,0,0,0|1,0,0]=3 9536 B12R0.46 CCCCCCC(=O)N(C)C(C)C 11a_200000211004_100102632555 [0,2,0,0,0,0|1,0,0]=3 9537 B12R0.46 CCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100102632555 [0,2,0,0,0,0|1,0,0]=3 9538 B12R0.46 CCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100102632555 [0,2,0,0,0,0|1,0,0]=3 9539 B12R0.46 CCCCCCC(=O)N(C)C(C)C 527a_200000211004_100102632555 [0,2,0,0,0,0|1,0,0]=3 9540 B12R0.46 CCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210757 [0,2,0,0,0,0|2,0,0]=4 9541 B12R0.46 CCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210757 [0,2,0,0,0,0|1,0,0]=3 9542 B12R0.46 CCCCCNC(=O)C(C)C(C)C 11a_100000209983_100000755409 [0,2,0,0,0,0|2,0,0]=4 9543 B12R0.46 CCCCCNC(=O)C(C)C(C)C 1626a_100000209983_100000755409 [0,2,0,0,0,0|2,0,0]=4 9544 B12R0.46 CCCCCNC(=O)C(C)C(C)C 240690a_100000209983_100000755409 [0,2,0,0,0,0|2,0,0]=4 9545 B12R0.46 CCCCCNC(=O)C(C)C(C)C 527a_100000209983_100000755409 [0,2,0,0,0,0|2,0,0]=4 9546 B12R0.46 CCCCCNC(=O)N(C)C(C)C 2708a_100000209983_200000211004 [0,2,0,0,0,0|2,0,0]=4 9547 B12R0.46 CCCCCNC(=O)N(C)C(C)C 273464a_100000209983_200000211004 [0,2,0,0,0,0|2,0,0]=4 9548 B12R0.46 CCCCCNC(=O)[C@H](O)C(C)C 240690a_100000209983_100000691806 [0,2,0,0,0,0|2,0,0]=4 9549 B12R0.46 CCCCNCC(=O)N(C)C(C)C 2230a_100000102301_100000230190 [0,2,0,0,0,0|2,0,0]=4 9550 B12R0.46 CCCCNCC(=O)N(C)C(C)C 7a_106832991798_100000230190 [0,2,0,0,0,0|2,0,0]=4 9551 B12R0.46 CCCCOCC(=O)C(C)C(C)C 1458a_100000755409_100011995733 [0,2,0,0,0,0|2,0,0]=4 9552 B12R0.46 CCCCOCC(=O)N(C)C(C)C 11a_200000211004_100000757543 [0,2,0,0,0,0|2,0,0]=4 9553 B12R0.46 CCCCOCC(=O)N(C)C(C)C 1626a_200000211004_100000757543 [0,2,0,0,0,0|2,0,0]=4 9554 B12R0.46 CCCCOCC(=O)N(C)C(C)C 240690a_200000211004_100000757543 [0,2,0,0,0,0|2,0,0]=4 9555 B12R0.46 CCCCOCC(=O)N(C)C(C)C 34a_100000210227_100000230190 [0,2,0,0,0,0|2,0,0]=4 9556 B12R0.46 CCCCOCC(=O)N(C)C(C)C 527a_200000211004_100000757543 [0,2,0,0,0,0|2,0,0]=4 9557 B12R0.46 CCCCOCC(=O)N(C)C(C)C 7a_100000210227_100000230190 [0,2,0,0,0,0|2,0,0]=4 9558 B12R0.46 CCCCOCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011995733 [0,2,0,0,0,0|2,0,0]=4 9559 B12R0.46 CCCCSCC(=O)N(C)C(C)C 11a_200000211004_100000191162 [0,2,0,0,0,0|2,0,0]=4 9560 B12R0.46 CCCCSCC(=O)N(C)C(C)C 1626a_200000211004_100000191162 [0,2,0,0,0,0|2,0,0]=4 9561 B12R0.46 CCCCSCC(=O)N(C)C(C)C 240690a_200000211004_100000191162 [0,2,0,0,0,0|2,0,0]=4 9562 B12R0.46 CCCCSCC(=O)N(C)C(C)C 527a_200000211004_100000191162 [0,2,0,0,0,0|2,0,0]=4 9563 B12R0.46 CCCCSCC(=O)N(C)C(C)C 62a_100000210211_100000230190 [0,2,0,0,0,0|2,0,0]=4 9564 B12R0.46 CCCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210210 [0,2,0,0,0,0|2,0,0]=4 9565 B12R0.46 CCCOCCC(=O)C(C)C(C)C 1458a_100000755409_100011215938 [0,2,0,0,0,0|2,0,0]=4 9566 B12R0.46 CCCOCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215938 [0,2,0,0,0,0|2,0,0]=4 9567 B12R0.46 CCOCCCC(=O)C(C)C(C)C 1458a_100000755409_100012232248 [0,2,0,0,0,0|2,0,0]=4 9568 B12R0.46 CCOCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100012232248 [0,2,0,0,0,0|2,0,0]=4 9569 B12R0.46 COCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000755781 [0,2,0,0,0,0|2,0,0]=4 9570 B12R0.46 COCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000755781 [0,2,0,0,0,0|2,0,0]=4 9571 B12R0.113 C#CC(C)NC(=O)CCCCCC 11a_100000707721_100102632555 [0,2,0,0,0,0|1,0,0]=3 9572 B12R0.113 C#CC(C)NC(=O)CCCCCC 1626a_100000707721_100102632555 [0,2,0,0,0,0|1,0,0]=3 9573 B12R0.113 C#CC(C)NC(=O)CCCCCC 240690a_100000707721_100102632555 [0,2,0,0,0,0|1,0,0]=3 9574 B12R0.113 C#CC(C)NC(=O)CCCCCC 527a_100000707721_100102632555 [0,2,0,0,0,0|1,0,0]=3 9575 B12R0.113 C#CC(C)NC(=O)CCCCCO 240690a_100000707721_100102619762 [0,2,0,0,0,0|2,0,0]=4 9576 B12R0.113 C#CC(C)NC(=O)COCCCC 11a_100000707721_100000757543 [0,2,0,0,0,0|2,0,0]=4 9577 B12R0.113 C#CC(C)NC(=O)COCCCC 1626a_100000707721_100000757543 [0,2,0,0,0,0|2,0,0]=4 9578 B12R0.113 C#CC(C)NC(=O)COCCCC 240690a_100000707721_100000757543 [0,2,0,0,0,0|2,0,0]=4 9579 B12R0.113 C#CC(C)NC(=O)COCCCC 527a_100000707721_100000757543 [0,2,0,0,0,0|2,0,0]=4 9580 B12R0.113 C#CC(C)NC(=O)CSCCCC 11a_100000707721_100000191162 [0,2,0,0,0,0|2,0,0]=4 9581 B12R0.113 C#CC(C)NC(=O)CSCCCC 1626a_100000707721_100000191162 [0,2,0,0,0,0|2,0,0]=4 9582 B12R0.113 C#CC(C)NC(=O)CSCCCC 240690a_100000707721_100000191162 [0,2,0,0,0,0|2,0,0]=4 9583 B12R0.113 C#CC(C)NC(=O)CSCCCC 527a_100000707721_100000191162 [0,2,0,0,0,0|2,0,0]=4 9584 B12R0.113 C#CC(C)NC(=O)NCCCCC 2708a_100000209983_100000707721 [0,2,0,0,0,0|2,0,0]=4 9585 B12R0.113 C#CC(C)NC(=O)NCCCCC 2708a_100000707721_100000209983 [0,2,0,0,0,0|2,0,0]=4 9586 B12R0.113 C#CC(C)NC(=O)NCCCCC 273464a_100000209983_100000707721 [0,2,0,0,0,0|2,0,0]=4 9587 B12R0.113 C#CC(C)NC(=O)NCCCCC 273464a_100000707721_100000209983 [0,2,0,0,0,0|2,0,0]=4 9588 B12R0.113 C#CC(C)NC(=O)NCCCCC 512a_100000209983_100000707721 [0,2,0,0,0,0|2,0,0]=4 9589 B12R0.113 C#CC(C)NC(=O)NCCCCC 512a_100000707721_100000209983 [0,2,0,0,0,0|2,0,0]=4 9590 B12R0.113 C#CC(C)OC(C)CCCCCC 34a_100000210265_200000035995 [0,2,0,0,0,0|1,0,1]=4 9591 B12R0.113 C#C[C@@H](C)OC(C)CCCCCC 34a_100009815206_100011215978 [0,2,0,0,0,0|1,0,1]=4 9592 B12R0.113 C#C[C@@H](C)OC(C)CCCCCC 7a_100009815206_100011215978 [0,2,0,0,0,0|1,0,1]=4 9593 B12R0.113 C=CC(C)CC(=O)CCCCCC 1458a_100011934298_100000210757 [0,2,0,0,0,0|1,0,0]=3 9594 B12R0.113 C=CC(C)CC(=O)CCCCCF 1458a_100011934298_100000729378 [0,2,0,0,0,0|2,0,0]=4 9595 B12R0.113 C=CC(C)CC(=O)CCCCCO 1458a_100011934298_100000746330 [0,2,0,0,0,0|2,0,0]=4 9596 B12R0.113 C=CC(C)CC(=O)CCCCOC 1458a_100011934298_100000755781 [0,2,0,0,0,0|2,0,0]=4 9597 B12R0.113 C=CC(C)CC(=O)CCCOCC 1458a_100011934298_100012232248 [0,2,0,0,0,0|2,0,0]=4 9598 B12R0.113 C=CC(C)CC(=O)CCOCCC 1458a_100011934298_100011215938 [0,2,0,0,0,0|2,0,0]=4 9599 B12R0.113 C=CC(C)CC(=O)COCCCC 1458a_100011934298_100011995733 [0,2,0,0,0,0|2,0,0]=4 9600 B12R0.113 C=CC(C)CC(=O)NCCCCC 11a_100000209983_100011934298 [0,2,0,0,0,0|2,0,0]=4 9601 B12R0.113 C=CC(C)CC(=O)NCCCCC 1626a_100000209983_100011934298 [0,2,0,0,0,0|2,0,0]=4 9602 B12R0.113 C=CC(C)CC(=O)NCCCCC 240690a_100000209983_100011934298 [0,2,0,0,0,0|2,0,0]=4 9603 B12R0.113 C=CC(C)CC(=O)NCCCCC 527a_100000209983_100011934298 [0,2,0,0,0,0|2,0,0]=4 9604 B12R0.113 C=CC(C)OC(C)CCCCCC 34a_100000695699_100011215978 [0,2,0,0,0,0|1,0,1]=4 9605 B12R0.113 CCC(=CC(=O)CCCCCF)C 1458a_100020758463_100000729378 [0,2,0,0,0,0|2,0,0]=4 9606 B12R0.113 CCC(=CC(=O)CCCCCO)C 1458a_100020758463_100000746330 [0,2,0,0,0,0|2,0,0]=4 9607 B12R0.113 CCC(=CC(=O)CCCCOC)C 1458a_100020758463_100000755781 [0,2,0,0,0,0|2,0,0]=4 9608 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,2,0,0,0,0|2,0,0]=4 9609 B12R0.113 CCC(C)CC(=O)CCCCCF 1458a_100000708755_100000729378 [0,2,0,0,0,0|2,0,0]=4 9610 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100000708755_100000746330 [0,2,0,0,0,0|2,0,0]=4 9611 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100102619762_100000748023 [0,2,0,0,0,0|2,0,0]=4 9612 B12R0.113 CCC(C)CC(=O)CCCCOC 1458a_100000708755_100000755781 [0,2,0,0,0,0|2,0,0]=4 9613 B12R0.113 CCC(C)NC(=O)CCCCCO 240690a_100000209981_100102619762 [0,2,0,0,0,0|2,0,0]=4 9614 B12R0.113 CCC(O)CC(=O)CCCCCF 1458a_100011667805_100000729378 [0,2,0,0,0,0|2,0,0]=4 9615 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100011667805_100000746330 [0,2,0,0,0,0|2,0,0]=4 9616 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100102619762_100011218378 [0,2,0,0,0,0|2,0,0]=4 9617 B12R0.113 CCC(O)CC(=O)CCCCOC 1458a_100011667805_100000755781 [0,2,0,0,0,0|2,0,0]=4 9618 B12R0.113 CCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210757 [0,2,0,0,0,0|1,0,0]=3 9619 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|1,0,0]=3 9620 B12R0.113 CCCCCCC(=O)CC(=O)NC 1458a_100102632555_100000183359 [0,2,0,0,0,0|1,0,1]=4 9621 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210757 [0,2,0,0,0,0|1,0,1]=4 9622 B12R0.113 CCCCCCC(=O)CC(=O)OC 1458a_100102632555_100000747449 [0,2,0,0,0,0|1,0,1]=4 9623 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,2,0,0,0,0|1,0,0]=3 9624 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,2,0,0,0,0|1,0,0]=3 9625 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,2,0,0,0,0|1,0,0]=3 9626 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,2,0,0,0,0|1,0,0]=3 9627 B12R0.113 CCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210757 [0,2,0,0,0,0|1,0,0]=3 9628 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,2,0,0,0,0|1,0,0]=3 9629 B12R0.113 CCCCCCC(=O)C[C@@H](C)CO 1458a_100102632555_100000059175 [0,2,0,0,0,0|1,0,0]=3 9630 B12R0.113 CCCCCCC(=O)NC(C)C#N 11a_100000737613_100102632555 [0,2,0,0,0,0|1,0,0]=3 9631 B12R0.113 CCCCCCC(=O)NC(C)C#N 1626a_100000737613_100102632555 [0,2,0,0,0,0|1,0,0]=3 9632 B12R0.113 CCCCCCC(=O)NC(C)C#N 527a_100000737613_100102632555 [0,2,0,0,0,0|1,0,0]=3 9633 B12R0.113 CCCCCCC(=O)NC(C)CC 11a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 9634 B12R0.113 CCCCCCC(=O)NC(C)CC 1626a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 9635 B12R0.113 CCCCCCC(=O)NC(C)CC 240690a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 9636 B12R0.113 CCCCCCC(=O)NC(C)CC 527a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 9637 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100102632555 [0,2,0,0,0,0|1,0,0]=3 9638 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100102632555 [0,2,0,0,0,0|1,0,0]=3 9639 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100102632555 [0,2,0,0,0,0|1,0,0]=3 9640 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100102632555 [0,2,0,0,0,0|1,0,0]=3 9641 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100102632555 [0,2,0,0,0,0|1,0,0]=3 9642 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100102632555 [0,2,0,0,0,0|1,0,0]=3 9643 B12R0.113 CCCCCCC(C)OC(C)C#N 34a_100011218135_100011215978 [0,2,0,0,0,0|1,0,1]=4 9644 B12R0.113 CCCCCCC(C)OC(C)C#N 7a_100000210265_100000703298 [0,2,0,0,0,0|1,0,1]=4 9645 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,2,0,0,0,0|1,0,1]=4 9646 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,2,0,0,0,0|1,0,1]=4 9647 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,2,0,0,0,0|1,0,1]=4 9648 B12R0.113 CCCCCCC(C)OC(C)CF 34a_100016041109_100011215978 [0,2,0,0,0,0|1,0,1]=4 9649 B12R0.113 CCCCCCC(C)OC(C)CF 7a_100016041109_100011215978 [0,2,0,0,0,0|1,0,1]=4 9650 B12R0.113 CCCCCCC(C)OC(C)CN 34a_100000210904_100011215978 [0,2,0,0,0,0|1,0,1]=4 9651 B12R0.113 CCCCCCC(C)OC(C)CO 34a_100000210265_100012180447 [0,2,0,0,0,0|1,0,1]=4 9652 B12R0.113 CCCCCCC(C)OC(C)CO 7a_100000210265_100012180447 [0,2,0,0,0,0|1,0,1]=4 9653 B12R0.113 CCCCCNC(=O)C=C(C)CC 11a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 9654 B12R0.113 CCCCCNC(=O)C=C(C)CC 1626a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 9655 B12R0.113 CCCCCNC(=O)C=C(C)CC 240690a_100000209983_100020758463 [0,2,0,0,0,0|2,0,0]=4 9656 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,2,0,0,0,0|2,0,0]=4 9657 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [0,2,0,0,0,0|2,0,0]=4 9658 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [0,2,0,0,0,0|2,0,0]=4 9659 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [0,2,0,0,0,0|2,0,0]=4 9660 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [0,2,0,0,0,0|2,0,0]=4 9661 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [0,2,0,0,0,0|2,0,0]=4 9662 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [0,2,0,0,0,0|2,0,0]=4 9663 B12R0.113 CCCCCNC(=O)CN(C)CC 2230a_100000225621_100000230301 [0,2,0,0,0,0|2,0,0]=4 9664 B12R0.113 CCCCCNC(=O)CN(C)CC 240690a_100000209983_100116209913 [0,2,0,0,0,0|2,0,0]=4 9665 B12R0.113 CCCCCNC(=O)CN(C)CC 269982a_100000225621_100000230301 [0,2,0,0,0,0|2,0,0]=4 9666 B12R0.113 CCCCCNC(=O)CN(C)CC 527a_100000209983_100116209913 [0,2,0,0,0,0|2,0,0]=4 9667 B12R0.113 CCCCCNC(=O)NC(C)C#N 2708a_100000209983_100000737613 [0,2,0,0,0,0|2,0,0]=4 9668 B12R0.113 CCCCCNC(=O)NC(C)C#N 2708a_100000737613_100000209983 [0,2,0,0,0,0|2,0,0]=4 9669 B12R0.113 CCCCCNC(=O)NC(C)C#N 273464a_100000209983_100000737613 [0,2,0,0,0,0|2,0,0]=4 9670 B12R0.113 CCCCCNC(=O)NC(C)C#N 273464a_100000737613_100000209983 [0,2,0,0,0,0|2,0,0]=4 9671 B12R0.113 CCCCCNC(=O)NC(C)C#N 512a_100000209983_100000737613 [0,2,0,0,0,0|2,0,0]=4 9672 B12R0.113 CCCCCNC(=O)NC(C)C#N 512a_100000737613_100000209983 [0,2,0,0,0,0|2,0,0]=4 9673 B12R0.113 CCCCCNC(=O)NC(C)CC 2708a_100000209981_100000209983 [0,2,0,0,0,0|2,0,0]=4 9674 B12R0.113 CCCCCNC(=O)NC(C)CC 2708a_100000209983_100000209981 [0,2,0,0,0,0|2,0,0]=4 9675 B12R0.113 CCCCCNC(=O)NC(C)CC 273464a_100000209981_100000209983 [0,2,0,0,0,0|2,0,0]=4 9676 B12R0.113 CCCCCNC(=O)NC(C)CC 273464a_100000209983_100000209981 [0,2,0,0,0,0|2,0,0]=4 9677 B12R0.113 CCCCCNC(=O)NC(C)CC 512a_100000209981_100000209983 [0,2,0,0,0,0|2,0,0]=4 9678 B12R0.113 CCCCCNC(=O)NC(C)CC 512a_100000209983_100000209981 [0,2,0,0,0,0|2,0,0]=4 9679 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 2708a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 9680 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 273464a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 9681 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000209983 [0,2,0,0,0,0|2,0,0]=4 9682 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 512a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 9683 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000209983 [0,2,0,0,0,0|2,0,0]=4 9684 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 2708a_100000209983_100000737577 [0,2,0,0,0,0|2,0,0]=4 9685 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000209983 [0,2,0,0,0,0|2,0,0]=4 9686 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 512a_100000209983_100000737577 [0,2,0,0,0,0|2,0,0]=4 9687 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000209983 [0,2,0,0,0,0|2,0,0]=4 9688 B12R0.113 CCCCNCC(=O)NC(C)CC 2230a_100000102301_100000182745 [0,2,0,0,0,0|2,0,0]=4 9689 B12R0.113 CCCCNCC(=O)NC(C)CC 7a_106832991798_100000182745 [0,2,0,0,0,0|2,0,0]=4 9690 B12R0.113 CCCCOCC(=O)C=C(C)CC 1458a_100020758463_100011995733 [0,2,0,0,0,0|2,0,0]=4 9691 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,2,0,0,0,0|2,0,0]=4 9692 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000708755_100011995733 [0,2,0,0,0,0|2,0,0]=4 9693 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000757543_100000748023 [0,2,0,0,0,0|2,0,0]=4 9694 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100000757543_100011218378 [0,2,0,0,0,0|2,0,0]=4 9695 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100011667805_100011995733 [0,2,0,0,0,0|2,0,0]=4 9696 B12R0.113 CCCCOCC(=O)CN(C)CC 1458a_100116209913_100011995733 [0,2,0,0,0,0|2,0,0]=4 9697 B12R0.113 CCCCOCC(=O)C[C@@H](C)CC 1458a_100000757543_100009816398 [0,2,0,0,0,0|2,0,0]=4 9698 B12R0.113 CCCCOCC(=O)C[C@@H](C)CO 1458a_100000757543_100000059175 [0,2,0,0,0,0|2,0,0]=4 9699 B12R0.113 CCCCOCC(=O)NC(C)C#N 11a_100000737613_100000757543 [0,2,0,0,0,0|2,0,0]=4 9700 B12R0.113 CCCCOCC(=O)NC(C)C#N 1626a_100000737613_100000757543 [0,2,0,0,0,0|2,0,0]=4 9701 B12R0.113 CCCCOCC(=O)NC(C)C#N 527a_100000737613_100000757543 [0,2,0,0,0,0|2,0,0]=4 9702 B12R0.113 CCCCOCC(=O)NC(C)CC 11a_100000209981_100000757543 [0,2,0,0,0,0|2,0,0]=4 9703 B12R0.113 CCCCOCC(=O)NC(C)CC 1626a_100000209981_100000757543 [0,2,0,0,0,0|2,0,0]=4 9704 B12R0.113 CCCCOCC(=O)NC(C)CC 240690a_100000209981_100000757543 [0,2,0,0,0,0|2,0,0]=4 9705 B12R0.113 CCCCOCC(=O)NC(C)CC 34a_100000210227_100000182745 [0,2,0,0,0,0|2,0,0]=4 9706 B12R0.113 CCCCOCC(=O)NC(C)CC 527a_100000209981_100000757543 [0,2,0,0,0,0|2,0,0]=4 9707 B12R0.113 CCCCOCC(=O)NC(C)CC 7a_100000210227_100000182745 [0,2,0,0,0,0|2,0,0]=4 9708 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000757543 [0,2,0,0,0,0|2,0,0]=4 9709 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000757543 [0,2,0,0,0,0|2,0,0]=4 9710 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000757543 [0,2,0,0,0,0|2,0,0]=4 9711 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000757543 [0,2,0,0,0,0|2,0,0]=4 9712 B12R0.113 CCCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000757543 [0,2,0,0,0,0|2,0,0]=4 9713 B12R0.113 CCCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000757543 [0,2,0,0,0,0|2,0,0]=4 9714 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,2,0,0,0,0|2,0,0]=4 9715 B12R0.113 CCCCSCC(=O)CC(C)CC 1458a_100000191162_100000748023 [0,2,0,0,0,0|2,0,0]=4 9716 B12R0.113 CCCCSCC(=O)CC(O)CC 1458a_100000191162_100011218378 [0,2,0,0,0,0|2,0,0]=4 9717 B12R0.113 CCCCSCC(=O)C[C@@H](C)CC 1458a_100000191162_100009816398 [0,2,0,0,0,0|2,0,0]=4 9718 B12R0.113 CCCCSCC(=O)C[C@@H](C)CO 1458a_100000191162_100000059175 [0,2,0,0,0,0|2,0,0]=4 9719 B12R0.113 CCCCSCC(=O)NC(C)C#N 11a_100000737613_100000191162 [0,2,0,0,0,0|2,0,0]=4 9720 B12R0.113 CCCCSCC(=O)NC(C)C#N 1626a_100000737613_100000191162 [0,2,0,0,0,0|2,0,0]=4 9721 B12R0.113 CCCCSCC(=O)NC(C)C#N 527a_100000737613_100000191162 [0,2,0,0,0,0|2,0,0]=4 9722 B12R0.113 CCCCSCC(=O)NC(C)CC 11a_100000209981_100000191162 [0,2,0,0,0,0|2,0,0]=4 9723 B12R0.113 CCCCSCC(=O)NC(C)CC 1626a_100000209981_100000191162 [0,2,0,0,0,0|2,0,0]=4 9724 B12R0.113 CCCCSCC(=O)NC(C)CC 240690a_100000209981_100000191162 [0,2,0,0,0,0|2,0,0]=4 9725 B12R0.113 CCCCSCC(=O)NC(C)CC 527a_100000209981_100000191162 [0,2,0,0,0,0|2,0,0]=4 9726 B12R0.113 CCCCSCC(=O)NC(C)CC 62a_100000182745_100000210210 [0,2,0,0,0,0|2,0,0]=4 9727 B12R0.113 CCCCSCC(=O)NC(C)CC 62a_100000210211_100000182745 [0,2,0,0,0,0|2,0,0]=4 9728 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 11a_100102880703_100000191162 [0,2,0,0,0,0|2,0,0]=4 9729 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000191162 [0,2,0,0,0,0|2,0,0]=4 9730 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000191162 [0,2,0,0,0,0|2,0,0]=4 9731 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 527a_100102880703_100000191162 [0,2,0,0,0,0|2,0,0]=4 9732 B12R0.113 CCCCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000191162 [0,2,0,0,0,0|2,0,0]=4 9733 B12R0.113 CCCCSCC(=O)N[C@H](C)CO 527a_100000737577_100000191162 [0,2,0,0,0,0|2,0,0]=4 9734 B12R0.113 CCCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215938 [0,2,0,0,0,0|2,0,0]=4 9735 B12R0.113 CCCOCCC(=O)CC(C)CC 1458a_100000708755_100011215938 [0,2,0,0,0,0|2,0,0]=4 9736 B12R0.113 CCCOCCC(=O)CC(O)CC 1458a_100011667805_100011215938 [0,2,0,0,0,0|2,0,0]=4 9737 B12R0.113 CCCOCCC(=O)CN(C)CC 1458a_100116209913_100011215938 [0,2,0,0,0,0|2,0,0]=4 9738 B12R0.113 CCN(C)CC(=O)CCCCCF 1458a_100116209913_100000729378 [0,2,0,0,0,0|2,0,0]=4 9739 B12R0.113 CCN(C)CC(=O)CCCCCO 1458a_100116209913_100000746330 [0,2,0,0,0,0|2,0,0]=4 9740 B12R0.113 CCN(C)CC(=O)CCCCOC 1458a_100116209913_100000755781 [0,2,0,0,0,0|2,0,0]=4 9741 B12R0.113 CCOCCCC(=O)C=C(C)CC 1458a_100020758463_100012232248 [0,2,0,0,0,0|2,0,0]=4 9742 B12R0.113 CCOCCCC(=O)CC(C)CC 1458a_100000708755_100012232248 [0,2,0,0,0,0|2,0,0]=4 9743 B12R0.113 CCOCCCC(=O)CC(O)CC 1458a_100011667805_100012232248 [0,2,0,0,0,0|2,0,0]=4 9744 B12R0.113 CCOCCCC(=O)CN(C)CC 1458a_100116209913_100012232248 [0,2,0,0,0,0|2,0,0]=4 9745 B12R0.113 CC[C@H](C)CC(=O)CCCCCO 1458a_100102619762_100009816398 [0,2,0,0,0,0|2,0,0]=4 9746 B12R0.113 C[C@@H](CO)CC(=O)CCCCCO 1458a_100102619762_100000059175 [0,2,0,0,0,0|2,0,0]=4 9747 B12R0.113 C[C@H](CF)NC(=O)CCCCCO 240690a_100102880703_100102619762 [0,2,0,0,0,0|2,0,0]=4 9748 B12R0.113 C[C@H](CO)NC(=O)CCCCCO 240690a_100000737577_100102619762 [0,2,0,0,0,0|2,0,0]=4 9749 B12R0.125 CC(C)(C)CC(=O)CCCCCF 1458a_100000211214_100000729378 [0,2,0,0,0,0|2,0,0]=4 9750 B12R0.125 CC(C)(C)CC(=O)CCCCCO 1458a_100000211214_100000746330 [0,2,0,0,0,0|2,0,0]=4 9751 B12R0.125 CC(C)(C)NC(=O)CCCCCO 240690a_100000715429_100102619762 [0,2,0,0,0,0|2,0,0]=4 9752 B12R0.125 CC(C)(C)OC(=O)CCCCS[13CH3] 62a_100010889705_200025704644 [0,2,0,0,0,0|1,0,0]=3 9753 B12R0.125 CC(C)(C)OC(=O)CCCCS[13CH3] 62a_200025704644_100010889705 [0,2,0,0,0,0|1,0,0]=3 9754 B12R0.125 CC(C)(C)OC(=O)CCCOCF 34a_100000067108_100015361967 [0,2,0,0,0,0|2,0,0]=4 9755 B12R0.125 CC(C)(C)OC(=O)CCCOCF 7a_100000067108_100015361967 [0,2,0,0,0,0|2,0,0]=4 9756 B12R0.125 CC(C)(C)OC(=O)CCCSCF 62a_100000708543_100015361967 [0,2,0,0,0,0|2,0,0]=4 9757 B12R0.125 CC(C)(C)OC(=O)CCCSCF 62a_100015361967_100000708543 [0,2,0,0,0,0|2,0,0]=4 9758 B12R0.125 CC(C)(C)OC(=O)CCNCCF 34a_100000724931_100009816755 [0,2,0,0,0,0|2,0,0]=4 9759 B12R0.125 CC(C)(C)OC(=O)CCNCCO 2230a_100016997473_100009816755 [0,2,0,0,0,0|2,0,0]=4 9760 B12R0.125 CC(C)(C)OC(=O)CCNCCO 34a_100016990907_100009816755 [0,2,0,0,0,0|2,0,0]=4 9761 B12R0.125 CC(C)(C)OC(=O)CCOCCBr 34a_100000211926_100009816755 [0,2,0,0,0,0|2,0,0]=4 9762 B12R0.125 CC(C)(C)OC(=O)CCOCCF 34a_100011934494_100011217306 [0,2,0,0,0,0|2,0,0]=4 9763 B12R0.125 CC(C)(C)OC(=O)CCOCCF 7a_100011934494_100011217306 [0,2,0,0,0,0|2,0,0]=4 9764 B12R0.125 CC(C)(C)OC(=O)CCOCCN 34a_100000210304_100009816755 [0,2,0,0,0,0|2,0,0]=4 9765 B12R0.125 CC(C)(C)OC(=O)CCOCCO 34a_100011934494_100000211926 [0,2,0,0,0,0|2,0,0]=4 9766 B12R0.125 CC(C)(C)OC(=O)CCOCCO 7a_100011934494_100000211926 [0,2,0,0,0,0|2,0,0]=4 9767 B12R0.125 CC(C)(C)OC(=O)CCSCCF 62a_100009816755_100011217306 [0,2,0,0,0,0|2,0,0]=4 9768 B12R0.125 CC(C)(C)OC(=O)CCSCCF 62a_100011217306_100009816755 [0,2,0,0,0,0|2,0,0]=4 9769 B12R0.125 CC(C)(C)OC(=O)CCSCCO 62a_100000211926_100009816755 [0,2,0,0,0,0|2,0,0]=4 9770 B12R0.125 CC(C)(C)OC(=O)CCSCCO 62a_100009816755_100000211926 [0,2,0,0,0,0|2,0,0]=4 9771 B12R0.125 CC(C)(C)OC(=O)CNCCCF 2230a_100015189416_100000183872 [0,2,0,0,0,0|2,0,0]=4 9772 B12R0.125 CC(C)(C)OC(=O)CNCCCF 34a_100015189416_100000183872 [0,2,0,0,0,0|2,0,0]=4 9773 B12R0.125 CC(C)(C)OC(=O)COCCCBr 34a_100011217188_100000183872 [0,2,0,0,0,0|2,0,0]=4 9774 B12R0.125 CC(C)(C)OC(=O)COCCCCl 34a_100000230001_100000183872 [0,2,0,0,0,0|2,0,0]=4 9775 B12R0.125 CC(C)(C)OC(=O)COCCCF 34a_100000752683_100011934791 [0,2,0,0,0,0|2,0,0]=4 9776 B12R0.125 CC(C)(C)OC(=O)COCCCF 34a_100000759539_100000183872 [0,2,0,0,0,0|2,0,0]=4 9777 B12R0.125 CC(C)(C)OC(=O)COCCCN 34a_100000182051_100000183872 [0,2,0,0,0,0|2,0,0]=4 9778 B12R0.125 CC(C)(C)OC(=O)COCCCO 34a_100000752683_100000230001 [0,2,0,0,0,0|2,0,0]=4 9779 B12R0.125 CC(C)(C)OC(=O)COCCO[13CH3] 34a_100010982675_200025704644 [0,2,0,0,0,0|2,0,0]=4 9780 B12R0.125 CC(C)(C)OC(=O)COCCO[13CH3] 7a_100010982675_200025704644 [0,2,0,0,0,0|2,0,0]=4 9781 B12R0.125 CC(C)(C)OC(=O)COCCS[13CH3] 62a_100011092059_200025704644 [0,2,0,0,0,0|2,0,0]=4 9782 B12R0.125 CC(C)(C)OC(=O)COCCS[13CH3] 62a_200025704644_100011092059 [0,2,0,0,0,0|2,0,0]=4 9783 B12R0.125 CC(C)(C)OC(=O)CSCCCF 62a_100000183872_100011934791 [0,2,0,0,0,0|2,0,0]=4 9784 B12R0.125 CC(C)(C)OC(=O)CSCCCF 62a_100011934791_100000183872 [0,2,0,0,0,0|2,0,0]=4 9785 B12R0.125 CC(C)(C)OC(=O)CSCCCO 62a_100000183872_100011215043 [0,2,0,0,0,0|2,0,0]=4 9786 B12R0.125 CC(C)(C)OC(=O)CSCCCO 62a_100011215043_100000183872 [0,2,0,0,0,0|2,0,0]=4 9787 B12R0.125 CC(C)(C)OC(=O)NCCCO[13CH3] 34a_100000743756_200025704644 [0,2,0,0,0,0|2,0,0]=4 9788 B12R0.125 CC(C)(C)OC(=O)NCCCO[13CH3] 7a_100000743756_200025704644 [0,2,0,0,0,0|2,0,0]=4 9789 B12R0.125 CC(C)(C)OC(=O)NCCCS[13CH3] 62a_100000725178_200025704644 [0,2,0,0,0,0|2,0,0]=4 9790 B12R0.125 CC(C)(C)OC(=O)NCCCS[13CH3] 62a_200025704644_100000725178 [0,2,0,0,0,0|2,0,0]=4 9791 B12R0.125 CC(C)(O)CC(=O)CCCCCF 1458a_100000693243_100000729378 [0,2,0,0,0,0|2,0,0]=4 9792 B12R0.125 CC(C)(O)CC(=O)CCCCCO 1458a_100000693243_100000746330 [0,2,0,0,0,0|2,0,0]=4 9793 B12R0.125 CCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210757 [0,2,0,0,0,0|1,0,0]=3 9794 B12R0.125 CCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210757 [0,2,0,0,0,0|1,0,0]=3 9795 B12R0.125 CCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210757 [0,2,0,0,0,0|2,0,0]=4 9796 B12R0.125 CCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210757 [0,2,0,0,0,0|2,0,0]=4 9797 B12R0.125 CCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210757 [0,2,0,0,0,0|2,0,0]=4 9798 B12R0.125 CCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210757 [0,2,0,0,0,0|1,1,0]=4 9799 B12R0.125 CCCCCCC(=O)C[Si](C)(C)C 1458a_100102632555_100000233785 [0,2,0,0,0,0|1,1,0]=4 9800 B12R0.125 CCCCCCC(=O)NC(C)(C)C 11a_100000715429_100102632555 [0,2,0,0,0,0|1,0,0]=3 9801 B12R0.125 CCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100102632555 [0,2,0,0,0,0|1,0,0]=3 9802 B12R0.125 CCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100102632555 [0,2,0,0,0,0|1,0,0]=3 9803 B12R0.125 CCCCCCC(=O)NC(C)(C)C 527a_100000715429_100102632555 [0,2,0,0,0,0|1,0,0]=3 9804 B12R0.125 CCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100102632555 [0,2,0,0,0,0|2,0,0]=4 9805 B12R0.125 CCCCCCC(C)OC(C)(C)C 34a_100000210265_100000210625 [0,2,0,0,0,0|1,0,1]=4 9806 B12R0.125 CCCCCCC(C)OC(C)(C)C 34a_100015890283_100011215978 [0,2,0,0,0,0|1,0,1]=4 9807 B12R0.125 CCCCCCC(C)OC(C)(C)C 7a_100015890283_100011215978 [0,2,0,0,0,0|1,0,1]=4 9808 B12R0.125 CCCCCNC(=O)CC(C)(C)C 11a_100000209983_100000211214 [0,2,0,0,0,0|2,0,0]=4 9809 B12R0.125 CCCCCNC(=O)CC(C)(C)C 1626a_100000209983_100000211214 [0,2,0,0,0,0|2,0,0]=4 9810 B12R0.125 CCCCCNC(=O)CC(C)(C)C 240690a_100000209983_100000211214 [0,2,0,0,0,0|2,0,0]=4 9811 B12R0.125 CCCCCNC(=O)CC(C)(C)C 527a_100000209983_100000211214 [0,2,0,0,0,0|2,0,0]=4 9812 B12R0.125 CCCCCNC(=O)CC(C)(C)O 527a_100000209983_100000693243 [0,2,0,0,0,0|2,0,0]=4 9813 B12R0.125 CCCCCNC(=O)NC(C)(C)C 2708a_100000209983_100000715429 [0,2,0,0,0,0|2,0,0]=4 9814 B12R0.125 CCCCCNC(=O)NC(C)(C)C 273464a_100000209983_100000715429 [0,2,0,0,0,0|2,0,0]=4 9815 B12R0.125 CCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000209983 [0,2,0,0,0,0|2,0,0]=4 9816 B12R0.125 CCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000209983 [0,2,0,0,0,0|2,0,0]=4 9817 B12R0.125 CCCCNCC(=O)NC(C)(C)C 2230a_100000102301_100000182746 [0,2,0,0,0,0|2,0,0]=4 9818 B12R0.125 CCCCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210211 [0,2,0,0,0,0|2,0,0]=4 9819 B12R0.125 CCCCNCC(=O)NC(C)(C)C 34a_100000174917_100000210210 [0,2,0,0,0,0|2,0,0]=4 9820 B12R0.125 CCCCNCC(=O)NC(C)(C)C 7a_106832991798_100000182746 [0,2,0,0,0,0|2,0,0]=4 9821 B12R0.125 CCCCNCC(=O)OC(C)(C)C 2230a_100000102301_100000183872 [0,2,0,0,0,0|1,0,0]=3 9822 B12R0.125 CCCCNCC(=O)OC(C)(C)C 7a_106832991798_100000183872 [0,2,0,0,0,0|1,0,0]=3 9823 B12R0.125 CCCCNCC(=O)O[Si](C)(C)C 2230a_100000102301_200009813336 [0,2,0,0,0,0|1,1,0]=4 9824 B12R0.125 CCCCNCC(=O)O[Si](C)(C)C 7a_106832991798_200009813336 [0,2,0,0,0,0|1,1,0]=4 9825 B12R0.125 CCCCOCC(=O)CC(C)(C)C 1458a_100000211214_100011995733 [0,2,0,0,0,0|2,0,0]=4 9826 B12R0.125 CCCCOCC(=O)CC(C)(C)O 1458a_100000693243_100011995733 [0,2,0,0,0,0|2,0,0]=4 9827 B12R0.125 CCCCOCC(=O)NC(C)(C)C 11a_100000715429_100000757543 [0,2,0,0,0,0|2,0,0]=4 9828 B12R0.125 CCCCOCC(=O)NC(C)(C)C 1626a_100000715429_100000757543 [0,2,0,0,0,0|2,0,0]=4 9829 B12R0.125 CCCCOCC(=O)NC(C)(C)C 240690a_100000715429_100000757543 [0,2,0,0,0,0|2,0,0]=4 9830 B12R0.125 CCCCOCC(=O)NC(C)(C)C 34a_100000210227_100000182746 [0,2,0,0,0,0|2,0,0]=4 9831 B12R0.125 CCCCOCC(=O)NC(C)(C)C 527a_100000715429_100000757543 [0,2,0,0,0,0|2,0,0]=4 9832 B12R0.125 CCCCOCC(=O)NC(C)(C)C 7a_100000210227_100000182746 [0,2,0,0,0,0|2,0,0]=4 9833 B12R0.125 CCCCOCC(=O)OC(C)(C)C 34a_100000210227_100000183872 [0,2,0,0,0,0|1,0,0]=3 9834 B12R0.125 CCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210210 [0,2,0,0,0,0|1,0,0]=3 9835 B12R0.125 CCCCOCC(=O)OC(C)(C)C 7a_100000210227_100000183872 [0,2,0,0,0,0|1,0,0]=3 9836 B12R0.125 CCCCOCC(=O)O[Si](C)(C)C 34a_100000210227_200009813336 [0,2,0,0,0,0|1,1,0]=4 9837 B12R0.125 CCCCOCC(=O)O[Si](C)(C)C 7a_100000210227_200009813336 [0,2,0,0,0,0|1,1,0]=4 9838 B12R0.125 CCCCSCC(=O)NC(C)(C)C 11a_100000715429_100000191162 [0,2,0,0,0,0|2,0,0]=4 9839 B12R0.125 CCCCSCC(=O)NC(C)(C)C 1626a_100000715429_100000191162 [0,2,0,0,0,0|2,0,0]=4 9840 B12R0.125 CCCCSCC(=O)NC(C)(C)C 240690a_100000715429_100000191162 [0,2,0,0,0,0|2,0,0]=4 9841 B12R0.125 CCCCSCC(=O)NC(C)(C)C 527a_100000715429_100000191162 [0,2,0,0,0,0|2,0,0]=4 9842 B12R0.125 CCCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210210 [0,2,0,0,0,0|2,0,0]=4 9843 B12R0.125 CCCCSCC(=O)NC(C)(C)C 62a_100000210211_100000182746 [0,2,0,0,0,0|2,0,0]=4 9844 B12R0.125 CCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210210 [0,2,0,0,0,0|1,0,0]=3 9845 B12R0.125 CCCCSCC(=O)OC(C)(C)C 62a_100000210211_100000183872 [0,2,0,0,0,0|1,0,0]=3 9846 B12R0.125 CCCCSCC(=O)O[Si](C)(C)C 62a_100000210211_200009813336 [0,2,0,0,0,0|1,1,0]=4 9847 B12R0.125 CCCCSCC(=O)O[Si](C)(C)C 62a_200009813336_100000210210 [0,2,0,0,0,0|1,1,0]=4 9848 B12R0.125 CCCOCCC(=O)CC(C)(C)C 1458a_100000211214_100011215938 [0,2,0,0,0,0|2,0,0]=4 9849 B12R0.125 CCCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215938 [0,2,0,0,0,0|2,0,0]=4 9850 B12R0.125 CCCOCCC(=O)OC(C)(C)C 34a_100000210258_100009816755 [0,2,0,0,0,0|1,0,0]=3 9851 B12R0.125 CCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210303 [0,2,0,0,0,0|1,0,0]=3 9852 B12R0.125 CCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210303 [0,2,0,0,0,0|1,0,0]=3 9853 B12R0.125 CCCSCCC(=O)NC(C)(C)C 62a_100000210303_100011194433 [0,2,0,0,0,0|2,0,0]=4 9854 B12R0.125 CCCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210303 [0,2,0,0,0,0|2,0,0]=4 9855 B12R0.125 CCCSCCC(=O)OC(C)(C)C 62a_100000210303_100009816755 [0,2,0,0,0,0|1,0,0]=3 9856 B12R0.125 CCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210303 [0,2,0,0,0,0|1,0,0]=3 9857 B12R0.125 CCNCCCC(=O)NC(C)(C)C 2230a_100015525214_100011194434 [0,2,0,0,0,0|2,0,0]=4 9858 B12R0.125 CCNCCCC(=O)OC(C)(C)C 2230a_100015525214_100000708543 [0,2,0,0,0,0|1,0,0]=3 9859 B12R0.125 CCNCCNC(=O)OC(C)(C)C 2230a_100015525214_100000691259 [0,2,0,0,0,0|2,0,0]=4 9860 B12R0.125 CCOCCCC(=O)CC(C)(C)C 1458a_100000211214_100012232248 [0,2,0,0,0,0|2,0,0]=4 9861 B12R0.125 CCOCCCC(=O)CC(C)(C)O 1458a_100000693243_100012232248 [0,2,0,0,0,0|2,0,0]=4 9862 B12R0.125 CCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000210202 [0,2,0,0,0,0|1,0,0]=3 9863 B12R0.125 CCOCCCC(=O)OC(C)(C)C 34a_100121572206_100000708543 [0,2,0,0,0,0|1,0,0]=3 9864 B12R0.125 CCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000210202 [0,2,0,0,0,0|1,0,0]=3 9865 B12R0.125 CCOCCNC(=O)OC(C)(C)C 34a_100000743822_100000210202 [0,2,0,0,0,0|2,0,0]=4 9866 B12R0.125 CCOCCNC(=O)OC(C)(C)C 7a_100000743822_100000210202 [0,2,0,0,0,0|2,0,0]=4 9867 B12R0.125 CCOCSCC(=O)OC(C)(C)C 62a_100000183872_100000739092 [0,2,0,0,0,0|2,0,0]=4 9868 B12R0.125 CCOCSCC(=O)OC(C)(C)C 62a_100000739092_100000183872 [0,2,0,0,0,0|2,0,0]=4 9869 B12R0.125 CCSCCCC(=O)NC(C)(C)C 62a_100000210202_100011194434 [0,2,0,0,0,0|2,0,0]=4 9870 B12R0.125 CCSCCCC(=O)NC(C)(C)C 62a_100011194434_100000210202 [0,2,0,0,0,0|2,0,0]=4 9871 B12R0.125 CCSCCCC(=O)OC(C)(C)C 62a_100000210202_100000708543 [0,2,0,0,0,0|1,0,0]=3 9872 B12R0.125 CCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000210202 [0,2,0,0,0,0|1,0,0]=3 9873 B12R0.125 CCSCCNC(=O)OC(C)(C)C 62a_100000210202_100000691259 [0,2,0,0,0,0|2,0,0]=4 9874 B12R0.125 CCSCCNC(=O)OC(C)(C)C 62a_100000691259_100000210202 [0,2,0,0,0,0|2,0,0]=4 9875 B12R0.125 CNCCCCC(=O)OC(C)(C)C 2230a_106832991635_100010889705 [0,2,0,0,0,0|1,0,0]=3 9876 B12R0.125 CNCCCCC(=O)OC(C)(C)C 34a_100102657272_100010889705 [0,2,0,0,0,0|1,0,0]=3 9877 B12R0.125 CNCCCCC(=O)OC(C)(C)C 7a_106832991635_100010889705 [0,2,0,0,0,0|1,0,0]=3 9878 B12R0.125 CNCCCNC(=O)OC(C)(C)C 2230a_106832991635_100000725178 [0,2,0,0,0,0|2,0,0]=4 9879 B12R0.125 CNCCCNC(=O)OC(C)(C)C 34a_100102657272_100000725178 [0,2,0,0,0,0|2,0,0]=4 9880 B12R0.125 CNCCCNC(=O)OC(C)(C)C 7a_106832991635_100000725178 [0,2,0,0,0,0|2,0,0]=4 9881 B12R0.125 CNCCOCC(=O)OC(C)(C)C 2230a_106832991635_100011092059 [0,2,0,0,0,0|2,0,0]=4 9882 B12R0.125 CNCCOCC(=O)OC(C)(C)C 34a_100102657272_100011092059 [0,2,0,0,0,0|2,0,0]=4 9883 B12R0.125 CNCCOCC(=O)OC(C)(C)C 7a_106832991635_100011092059 [0,2,0,0,0,0|2,0,0]=4 9884 B12R0.125 COCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000755781 [0,2,0,0,0,0|2,0,0]=4 9885 B12R0.125 COCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000755781 [0,2,0,0,0,0|2,0,0]=4 9886 B12R0.125 COCCCCC(=O)OC(C)(C)C 34a_100138415774_100010889705 [0,2,0,0,0,0|1,0,0]=3 9887 B12R0.125 COCCCNC(=O)OC(C)(C)C 34a_100000743756_200000210301 [0,2,0,0,0,0|2,0,0]=4 9888 B12R0.125 COCCCNC(=O)OC(C)(C)C 34a_100138415774_100000725178 [0,2,0,0,0,0|2,0,0]=4 9889 B12R0.125 COCCCNC(=O)OC(C)(C)C 7a_100000743756_200000210301 [0,2,0,0,0,0|2,0,0]=4 9890 B12R0.125 COCCNCC(=O)OC(C)(C)C 2230a_100000209980_100000183872 [0,2,0,0,0,0|2,0,0]=4 9891 B12R0.125 COCCOCC(=O)OC(C)(C)C 34a_100000210237_100000183872 [0,2,0,0,0,0|2,0,0]=4 9892 B12R0.125 COCCOCC(=O)OC(C)(C)C 34a_100000752683_100011201679 [0,2,0,0,0,0|2,0,0]=4 9893 B12R0.125 COCCOCC(=O)OC(C)(C)C 34a_100010982675_200000210301 [0,2,0,0,0,0|2,0,0]=4 9894 B12R0.125 COCCOCC(=O)OC(C)(C)C 34a_100138415774_100011092059 [0,2,0,0,0,0|2,0,0]=4 9895 B12R0.125 COCCOCC(=O)OC(C)(C)C 7a_100010982675_200000210301 [0,2,0,0,0,0|2,0,0]=4 9896 B12R0.125 COCCSCC(=O)OC(C)(C)C 62a_100000183872_100000233755 [0,2,0,0,0,0|2,0,0]=4 9897 B12R0.125 COCCSCC(=O)OC(C)(C)C 62a_100000233755_100000183872 [0,2,0,0,0,0|2,0,0]=4 9898 B12R0.125 COCSCCC(=O)OC(C)(C)C 62a_100000766300_100009816755 [0,2,0,0,0,0|2,0,0]=4 9899 B12R0.125 COCSCCC(=O)OC(C)(C)C 62a_100009816755_100000766300 [0,2,0,0,0,0|2,0,0]=4 9900 B12R0.125 CSCCCCC(=O)OC(C)(C)C 62a_100010889705_200000210301 [0,2,0,0,0,0|1,0,0]=3 9901 B12R0.125 CSCCCCC(=O)OC(C)(C)C 62a_200000210301_100010889705 [0,2,0,0,0,0|1,0,0]=3 9902 B12R0.125 CSCCCNC(=O)OC(C)(C)C 62a_100000725178_200000210301 [0,2,0,0,0,0|2,0,0]=4 9903 B12R0.125 CSCCCNC(=O)OC(C)(C)C 62a_200000210301_100000725178 [0,2,0,0,0,0|2,0,0]=4 9904 B12R0.125 CSCCNCC(=O)OC(C)(C)C 2230a_100020590264_100000183872 [0,2,0,0,0,0|2,0,0]=4 9905 B12R0.125 CSCCOCC(=O)OC(C)(C)C 34a_100000230434_100000183872 [0,2,0,0,0,0|2,0,0]=4 9906 B12R0.125 CSCCOCC(=O)OC(C)(C)C 34a_100000752683_100000212216 [0,2,0,0,0,0|2,0,0]=4 9907 B12R0.125 CSCCOCC(=O)OC(C)(C)C 62a_100011092059_200000210301 [0,2,0,0,0,0|2,0,0]=4 9908 B12R0.125 CSCCOCC(=O)OC(C)(C)C 62a_200000210301_100011092059 [0,2,0,0,0,0|2,0,0]=4 9909 B12R0.125 CSCCOCC(=O)OC(C)(C)C 7a_100000230434_100000183872 [0,2,0,0,0,0|2,0,0]=4 9910 B12R0.125 CSCCSCC(=O)OC(C)(C)C 62a_100000183872_100000751147 [0,2,0,0,0,0|2,0,0]=4 9911 B12R0.125 CSCCSCC(=O)OC(C)(C)C 62a_100000212216_100000183872 [0,2,0,0,0,0|2,0,0]=4 9912 B12R0.125 CSCOCCC(=O)OC(C)(C)C 34a_100011934494_100011218213 [0,2,0,0,0,0|2,0,0]=4 9913 B12R0.125 CSCSCCC(=O)OC(C)(C)C 62a_100009816755_100011218213 [0,2,0,0,0,0|2,0,0]=4 9914 B12R0.125 CSCSCCC(=O)OC(C)(C)C 62a_100011218213_100009816755 [0,2,0,0,0,0|2,0,0]=4 9915 B12R0.141 C=C(C)CC(=O)C(C)CCCCC 1458a_100011215998_100000748629 [0,2,0,0,0,0|1,0,1]=4 9916 B12R0.141 CC(C)OC(=O)[C@@H](C)OCCCF 34a_100015307928_100011934791 [0,2,0,0,0,0|2,0,0]=4 9917 B12R0.141 CC(C)OC(=O)[C@@H](C)OCCCF 7a_100015307928_100011934791 [0,2,0,0,0,0|2,0,0]=4 9918 B12R0.141 CC(C)OC(=O)[C@@H](C)OCCCO 34a_100015307928_100000230001 [0,2,0,0,0,0|2,0,0]=4 9919 B12R0.141 CC(C)OC(=O)[C@@H](C)OCCCO 7a_100015307928_100011215043 [0,2,0,0,0,0|2,0,0]=4 9920 B12R0.141 CC(C)OC(=O)[C@@H](N)COCCF 34a_100121572844_100011217306 [0,2,0,0,0,0|2,0,0]=4 9921 B12R0.141 CC(C)OC(=O)[C@@H](N)COCCO 34a_100121572844_100000211926 [0,2,0,0,0,0|2,0,0]=4 9922 B12R0.141 CCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210326 [0,2,0,0,0,0|1,0,1]=4 9923 B12R0.141 CCCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011218191 [0,2,0,0,0,0|1,0,1]=4 9924 B12R0.141 CCCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011218191 [0,2,0,0,0,0|1,0,1]=4 9925 B12R0.141 CCCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011218191 [0,2,0,0,0,0|1,0,1]=4 9926 B12R0.141 CCCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011218191 [0,2,0,0,0,0|1,0,0]=3 9927 B12R0.141 CCCCCC(C)C(=O)CC(C)C 1458a_100011215998_100000210624 [0,2,0,0,0,0|1,0,0]=3 9928 B12R0.141 CCCCCC(C)C(=O)CC(C)O 1458a_100011215998_100011218427 [0,2,0,0,0,0|1,0,0]=3 9929 B12R0.141 CCCCCC(C)C(=O)CC(F)F 1458a_100011215998_100011934356 [0,2,0,0,0,0|2,0,0]=4 9930 B12R0.141 CCCCCC(C)C(=O)CN(C)C 1458a_100000750896_200011218191 [0,2,0,0,0,0|2,0,0]=4 9931 B12R0.141 CCCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011218191 [0,2,0,0,0,0|1,0,0]=3 9932 B12R0.141 CCCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_200011218191 [0,2,0,0,0,0|2,0,0]=4 9933 B12R0.141 CCCCCC(C)C(=O)NC(C)C 11a_100138425928_100011215998 [0,2,0,0,0,0|1,0,0]=3 9934 B12R0.141 CCCCCC(C)C(=O)NC(C)C 1626a_100138425928_100011215998 [0,2,0,0,0,0|1,0,0]=3 9935 B12R0.141 CCCCCC(C)C(=O)NC(C)C 240690a_100138425928_100011215998 [0,2,0,0,0,0|1,0,0]=3 9936 B12R0.141 CCCCCC(C)C(=O)NC(C)C 527a_100138425928_100011215998 [0,2,0,0,0,0|1,0,0]=3 9937 B12R0.141 CCCCCN(C)C(=O)CC(C)C 11a_100000223495_100000210554 [0,2,0,0,0,0|2,0,0]=4 9938 B12R0.141 CCCCCN(C)C(=O)CC(C)C 1626a_100000223495_100000210554 [0,2,0,0,0,0|2,0,0]=4 9939 B12R0.141 CCCCCN(C)C(=O)CC(C)C 240690a_100000223495_100000210554 [0,2,0,0,0,0|2,0,0]=4 9940 B12R0.141 CCCCCN(C)C(=O)CC(C)C 527a_100000223495_100000210554 [0,2,0,0,0,0|2,0,0]=4 9941 B12R0.141 CCCCCN(C)C(=O)C[C@@H](C)O 240690a_100000223495_100011933948 [0,2,0,0,0,0|2,0,0]=4 9942 B12R0.141 CCCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000223495 [0,2,0,0,0,0|2,0,0]=4 9943 B12R0.141 CCCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000223495 [0,2,0,0,0,0|2,0,0]=4 9944 B12R0.141 CCCCNC(C)C(=O)NC(C)C 2230a_100000102301_100000195394 [0,2,0,0,0,0|2,0,0]=4 9945 B12R0.141 CCCCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210211 [0,2,0,0,0,0|2,0,0]=4 9946 B12R0.141 CCCCNC(C)C(=O)NC(C)C 34a_100015205314_100000210210 [0,2,0,0,0,0|2,0,0]=4 9947 B12R0.141 CCCCNC(C)C(=O)NC(C)C 7a_106832991798_100000195394 [0,2,0,0,0,0|2,0,0]=4 9948 B12R0.141 CCCCOC(C)C(=O)NC(C)C 34a_100000210227_100000195394 [0,2,0,0,0,0|2,0,0]=4 9949 B12R0.141 CCCCOC(C)C(=O)NC(C)C 7a_100000210227_100000195394 [0,2,0,0,0,0|2,0,0]=4 9950 B12R0.141 CCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210210 [0,2,0,0,0,0|1,0,0]=3 9951 B12R0.141 CCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210211 [0,2,0,0,0,0|1,0,0]=3 9952 B12R0.141 CCCCSC(C)C(=O)CC(C)C 1458a_100000191163_100000210624 [0,2,0,0,0,0|2,0,0]=4 9953 B12R0.141 CCCCSC(C)C(=O)CC(C)O 1458a_100000191163_100011218427 [0,2,0,0,0,0|2,0,0]=4 9954 B12R0.141 CCCCSC(C)C(=O)NC(C)C 11a_100138425928_100000191163 [0,2,0,0,0,0|2,0,0]=4 9955 B12R0.141 CCCCSC(C)C(=O)NC(C)C 1626a_100138425928_100000191163 [0,2,0,0,0,0|2,0,0]=4 9956 B12R0.141 CCCCSC(C)C(=O)NC(C)C 240690a_100138425928_100000191163 [0,2,0,0,0,0|2,0,0]=4 9957 B12R0.141 CCCCSC(C)C(=O)NC(C)C 527a_100138425928_100000191163 [0,2,0,0,0,0|2,0,0]=4 9958 B12R0.141 CCCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210210 [0,2,0,0,0,0|2,0,0]=4 9959 B12R0.141 CCCCSC(C)C(=O)NC(C)C 62a_100000210211_100000195394 [0,2,0,0,0,0|2,0,0]=4 9960 B12R0.141 CCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210303 [0,2,0,0,0,0|1,0,0]=3 9961 B12R0.141 COCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100011201679 [0,2,0,0,0,0|2,0,0]=4 9962 B12R0.141 COCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000233755 [0,2,0,0,0,0|2,0,0]=4 9963 B12R0.141 CSCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000212216 [0,2,0,0,0,0|2,0,0]=4 9964 B12R0.141 CSCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000212216 [0,2,0,0,0,0|2,0,0]=4 9965 B12R0.141 CSCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100011218213 [0,2,0,0,0,0|2,0,0]=4 9966 B12R0.202 C=CC(CCCCCC)OC(C)C 34a_200011215977_100000210206 [0,2,0,0,0,0|1,0,1]=4 9967 B12R0.202 C=CC(CCCCCC)OC(C)C 7a_200011215977_100000210206 [0,2,0,0,0,0|1,0,1]=4 9968 B12R0.202 CCCCCCC(CC)OC(C)C 34a_100011215785_100000210206 [0,2,0,0,0,0|1,0,1]=4 9969 B12R0.202 CCCCCCC(CC)OC(C)C 7a_100011215785_100000210206 [0,2,0,0,0,0|1,0,1]=4 9970 B12R0.241 CC(C)OC(=O)CCN[C@H](C)CO 2230a_100000737577_100000760027 [0,2,0,0,0,0|2,0,0]=4 9971 B12R0.241 CC(C)OC(=O)CCOC(C)CF 7a_100016041109_100000760027 [0,2,0,0,0,0|2,0,0]=4 9972 B12R0.241 CC(C)OC(=O)CCSC(C)CO 62a_100012180447_100000760027 [0,2,0,0,0,0|2,0,0]=4 9973 B12R0.241 CC(C)OC(=O)CCS[C@H](C)CO 62a_100000760027_100016084084 [0,2,0,0,0,0|2,0,0]=4 9974 B12R0.241 CC(C)OC(=O)CCS[C@H](C)CO 62a_100016084084_100000760027 [0,2,0,0,0,0|2,0,0]=4 9975 B12R0.241 CC(C)OC(=O)CNC[C@@H](F)CO 34a_100015665980_100011215430 [0,2,0,0,0,0|2,0,0]=4 9976 B12R0.241 CC(C)OC(=O)CNC[C@H](O)CO 2230a_100020644852_100011215430 [0,2,0,0,0,0|2,0,0]=4 9977 B12R0.241 CC(C)OC(=O)COCC(Cl)CCl 34a_100000033668_100011215430 [0,2,0,0,0,0|2,0,0]=4 9978 B12R0.241 CC(C)OC(=O)COC[C@H](F)CN 34a_100015665980_100011215430 [0,2,0,0,0,0|2,0,0]=4 9979 B12R0.241 CC(C)OC(=O)CSCC(O)CO 62a_100011215430_100011219619 [0,2,0,0,0,0|2,0,0]=4 9980 B12R0.241 CC(C)OC(=O)CSCC(O)CO 62a_100011219619_100011215430 [0,2,0,0,0,0|2,0,0]=4 9981 B12R0.241 CC(C)OC(=O)CSC[C@@H](C)CO 62a_100000059175_100011215430 [0,2,0,0,0,0|2,0,0]=4 9982 B12R0.241 CC(C)OC(=O)CSC[C@@H](C)CO 62a_100011215430_100000059175 [0,2,0,0,0,0|2,0,0]=4 9983 B12R0.241 CC(C)OC(=O)CSC[C@@H](O)CF 62a_100011215430_100015614560 [0,2,0,0,0,0|2,0,0]=4 9984 B12R0.241 CC(C)OC(=O)CSC[C@@H](O)CF 62a_100015614560_100011215430 [0,2,0,0,0,0|2,0,0]=4 9985 B12R0.241 CC(C)OC(=O)CSC[C@@H](O)CO 62a_100009815848_100011215430 [0,2,0,0,0,0|2,0,0]=4 9986 B12R0.241 CC(C)OC(=O)CSC[C@@H](O)CO 62a_100011215430_100009815848 [0,2,0,0,0,0|2,0,0]=4 9987 B12R0.241 CC(CN)COCC(=O)OC(C)C 34a_100000744482_100011215430 [0,2,0,0,0,0|2,0,0]=4 9988 B12R0.241 CC(CO)CNCC(=O)OC(C)C 34a_100000744482_100011215430 [0,2,0,0,0,0|2,0,0]=4 9989 B12R0.241 CCC(=O)COCC(=O)OC(C)C 34a_100000725409_100011215430 [0,2,0,0,0,0|1,0,1]=4 9990 B12R0.241 CCC(=O)CSCC(=O)OC(C)C 62a_100000747405_100011215430 [0,2,0,0,0,0|1,0,1]=4 9991 B12R0.241 CCC(=O)CSCC(=O)OC(C)C 62a_100011215430_100000747405 [0,2,0,0,0,0|1,0,1]=4 9992 B12R0.241 CCC(C)CCNC(=O)CC(C)C 11a_100020591266_100000210554 [0,2,0,0,0,0|2,0,0]=4 9993 B12R0.241 CCC(C)CCNC(=O)CC(C)C 1626a_100020591266_100000210554 [0,2,0,0,0,0|2,0,0]=4 9994 B12R0.241 CCC(C)CCNC(=O)CC(C)C 240690a_100020591266_100000210554 [0,2,0,0,0,0|2,0,0]=4 9995 B12R0.241 CCC(C)CCNC(=O)CC(C)C 527a_100020591266_100000210554 [0,2,0,0,0,0|2,0,0]=4 9996 B12R0.241 CCC(C)CCNC(=O)C[C@@H](C)O 240690a_100020591266_100011933948 [0,2,0,0,0,0|2,0,0]=4 9997 B12R0.241 CCC(C)CCNC(=O)NC(C)C 2708a_100020591266_100138425928 [0,2,0,0,0,0|2,0,0]=4 9998 B12R0.241 CCC(C)CCNC(=O)NC(C)C 2708a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 9999 B12R0.241 CCC(C)CCNC(=O)NC(C)C 273464a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 10000 B12R0.241 CCC(C)CCNC(=O)NC(C)C 512a_100020591266_100138425928 [0,2,0,0,0,0|2,0,0]=4 10001 B12R0.241 CCC(C)CCNC(=O)NC(C)C 512a_100138425928_100020591266 [0,2,0,0,0,0|2,0,0]=4 10002 B12R0.241 CCC(C)CNCC(=O)NC(C)C 2230a_100000168517_100000748023 [0,2,0,0,0,0|2,0,0]=4 10003 B12R0.241 CCC(C)CNCC(=O)NC(C)C 2230a_100020588543_100000183996 [0,2,0,0,0,0|2,0,0]=4 10004 B12R0.241 CCC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000243153 [0,2,0,0,0,0|2,0,0]=4 10005 B12R0.241 CCC(C)CNCC(=O)OC(C)C 2230a_100020588543_100011215430 [0,2,0,0,0,0|1,0,0]=3 10006 B12R0.241 CCC(C)CSCC(=O)NC(C)C 62a_100000183996_100000748023 [0,2,0,0,0,0|2,0,0]=4 10007 B12R0.241 CCC(C)CSCC(=O)NC(C)C 62a_100000748023_100000183996 [0,2,0,0,0,0|2,0,0]=4 10008 B12R0.241 CCC(C)CSCC(=O)OC(C)C 62a_100000748023_100011215430 [0,2,0,0,0,0|1,0,0]=3 10009 B12R0.241 CCC(C)CSCC(=O)OC(C)C 62a_100011215430_100000748023 [0,2,0,0,0,0|1,0,0]=3 10010 B12R0.241 CCC(C)NCCC(=O)NC(C)C 2230a_100000209981_100000737564 [0,2,0,0,0,0|2,0,0]=4 10011 B12R0.241 CCC(C)NCCC(=O)OC(C)C 2230a_100000209981_100000760027 [0,2,0,0,0,0|1,0,0]=3 10012 B12R0.241 CCC(C)OCCC(=O)NC(C)C 7a_100000210228_100000737564 [0,2,0,0,0,0|2,0,0]=4 10013 B12R0.241 CCC(C)OCCC(=O)OC(C)C 7a_100000210228_100000760027 [0,2,0,0,0,0|1,0,0]=3 10014 B12R0.241 CCC(C)SCCC(=O)NC(C)C 62a_100000737564_100000758301 [0,2,0,0,0,0|2,0,0]=4 10015 B12R0.241 CCC(C)SCCC(=O)NC(C)C 62a_100000758301_100000737564 [0,2,0,0,0,0|2,0,0]=4 10016 B12R0.241 CCC(C)SCCC(=O)OC(C)C 62a_100000758301_100000760027 [0,2,0,0,0,0|1,0,0]=3 10017 B12R0.241 CCC(C)SCCC(=O)OC(C)C 62a_100000760027_100000758301 [0,2,0,0,0,0|1,0,0]=3 10018 B12R0.241 CCC(C)SCOC(=O)OC(C)C 62a_100000003507_100000758301 [0,2,0,0,0,0|2,0,0]=4 10019 B12R0.241 CCC(C)SCOC(=O)OC(C)C 62a_100000758301_100000003507 [0,2,0,0,0,0|2,0,0]=4 10020 B12R0.241 CCC(O)CNCC(=O)NC(C)C 2230a_100000168517_100011218378 [0,2,0,0,0,0|2,0,0]=4 10021 B12R0.241 CCC(O)CNCC(=O)NC(C)C 2230a_100011218483_100000183996 [0,2,0,0,0,0|2,0,0]=4 10022 B12R0.241 CCC(O)CNCC(=O)OC(C)C 2230a_100011218483_100011215430 [0,2,0,0,0,0|1,0,0]=3 10023 B12R0.241 CCC(O)CSCC(=O)NC(C)C 62a_100000183996_100011218378 [0,2,0,0,0,0|2,0,0]=4 10024 B12R0.241 CCC(O)CSCC(=O)NC(C)C 62a_100011218378_100000183996 [0,2,0,0,0,0|2,0,0]=4 10025 B12R0.241 CCC(O)CSCC(=O)OC(C)C 62a_100011215430_100011218378 [0,2,0,0,0,0|1,0,0]=3 10026 B12R0.241 CCC(O)CSCC(=O)OC(C)C 62a_100011218378_100011215430 [0,2,0,0,0,0|1,0,0]=3 10027 B12R0.241 CCN(C)CCCC(=O)CC(C)C 1458a_100000210554_100015186262 [0,2,0,0,0,0|2,0,0]=4 10028 B12R0.241 CCN(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100015186262 [0,2,0,0,0,0|2,0,0]=4 10029 B12R0.241 CC[C@H](C)CNCC(=O)NC(C)C 2230a_100000168517_100009816398 [0,2,0,0,0,0|2,0,0]=4 10030 B12R0.241 CC[C@H](C)COCC(=O)NC(C)C 7a_100009816381_100000183996 [0,2,0,0,0,0|2,0,0]=4 10031 B12R0.241 CC[C@H](C)COCC(=O)OC(C)C 7a_100009816381_100011215430 [0,2,0,0,0,0|1,0,0]=3 10032 B12R0.241 CC[C@H](C)CSCC(=O)NC(C)C 62a_100000183996_100009816398 [0,2,0,0,0,0|2,0,0]=4 10033 B12R0.241 CC[C@H](C)CSCC(=O)NC(C)C 62a_100009816398_100000183996 [0,2,0,0,0,0|2,0,0]=4 10034 B12R0.241 CC[C@H](C)CSCC(=O)OC(C)C 62a_100009816398_100011215430 [0,2,0,0,0,0|1,0,0]=3 10035 B12R0.241 CC[C@H](C)CSCC(=O)OC(C)C 62a_100011215430_100009816398 [0,2,0,0,0,0|1,0,0]=3 10036 B12R0.241 COC(C)COCC(=O)OC(C)C 34a_100000690652_100011215430 [0,2,0,0,0,0|2,0,0]=4 10037 B12R0.241 COC(C)SCCC(=O)OC(C)C 62a_100000760027_100009879195 [0,2,0,0,0,0|2,0,0]=4 10038 B12R0.241 COC(C)SCCC(=O)OC(C)C 62a_100009879195_100000760027 [0,2,0,0,0,0|2,0,0]=4 10039 B12R0.241 CO[C@H](C)CNCC(=O)OC(C)C 2230a_100020591295_100011215430 [0,2,0,0,0,0|2,0,0]=4 10040 B12R0.270 C=C(C)CC(=O)CCCCC(C)C 1458a_100011933920_100000748629 [0,2,0,0,0,0|1,0,1]=4 10041 B12R0.270 C=C(C)CCOCC(=O)OC(C)C 34a_100000764851_100011215430 [0,2,0,0,0,0|1,0,1]=4 10042 B12R0.270 C=C(C)CCSCC(=O)OC(C)C 62a_100000730704_100011215430 [0,2,0,0,0,0|1,0,1]=4 10043 B12R0.270 C=C(C)CCSCC(=O)OC(C)C 62a_100011215430_100000730704 [0,2,0,0,0,0|1,0,1]=4 10044 B12R0.270 C=C(C)CSCCC(=O)OC(C)C 62a_100000748629_100000760027 [0,2,0,0,0,0|1,0,1]=4 10045 B12R0.270 C=C(C)CSCCC(=O)OC(C)C 62a_100000760027_100000211660 [0,2,0,0,0,0|1,0,1]=4 10046 B12R0.270 CC(=CC(=O)CCCCC(C)C)C 1458a_100000211388_100011216152 [0,2,0,0,0,0|1,0,1]=4 10047 B12R0.270 CC(=CC(=O)CCCCC(C)C)Cl 1458a_200042562850_100011216152 [0,2,0,0,0,0|1,0,1]=4 10048 B12R0.270 CC(=CC(=O)CCCCC(C)C)I 1458a_100025716642_100011216152 [0,2,0,0,0,0|1,0,1]=4 10049 B12R0.270 CC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000735457 [0,2,0,0,0,0|1,0,1]=4 10050 B12R0.270 CC(=O)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000735457 [0,2,0,0,0,0|1,0,1]=4 10051 B12R0.270 CC(=O)CCOCC(=O)OC(C)C 34a_100000759926_100011215430 [0,2,0,0,0,0|1,0,1]=4 10052 B12R0.270 CC(=O)CCOCC(=O)OC(C)C 7a_100000759926_100011215430 [0,2,0,0,0,0|1,0,1]=4 10053 B12R0.270 CC(=O)CCSCC(=O)OC(C)C 62a_100000053229_100011215430 [0,2,0,0,0,0|1,0,1]=4 10054 B12R0.270 CC(=O)CCSCC(=O)OC(C)C 62a_100011215430_100000053229 [0,2,0,0,0,0|1,0,1]=4 10055 B12R0.270 CC(Br)CCOCC(=O)NC(C)C 34a_100009893172_100000183996 [0,2,0,0,0,0|2,0,0]=4 10056 B12R0.270 CC(Br)CCOCC(=O)OC(C)C 34a_100009893172_100011215430 [0,2,0,0,0,0|1,0,0]=3 10057 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100000210554_100011216152 [0,2,0,0,0,0|1,0,0]=3 10058 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100011933920_100000210624 [0,2,0,0,0,0|1,0,0]=3 10059 B12R0.270 CC(C)CCCCC(=O)CC(C)O 1458a_100011933920_100011218427 [0,2,0,0,0,0|1,0,0]=3 10060 B12R0.270 CC(C)CCCCC(=O)CC(F)F 1458a_100011933920_100011934356 [0,2,0,0,0,0|2,0,0]=4 10061 B12R0.270 CC(C)CCCCC(=O)CN(C)C 1458a_100000750896_100011216152 [0,2,0,0,0,0|2,0,0]=4 10062 B12R0.270 CC(C)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216152 [0,2,0,0,0,0|1,0,0]=3 10063 B12R0.270 CC(C)CCCCC(=O)C[S+](C)C 1458a_200159257847_100011216152 [0,2,0,0,0,0|2,0,0]=4 10064 B12R0.270 CC(C)CCCCC(=O)NC(C)C 11a_100138425928_100011933920 [0,2,0,0,0,0|1,0,0]=3 10065 B12R0.270 CC(C)CCCCC(=O)NC(C)C 1626a_100138425928_100011933920 [0,2,0,0,0,0|1,0,0]=3 10066 B12R0.270 CC(C)CCCCC(=O)NC(C)C 240690a_100138425928_100011933920 [0,2,0,0,0,0|1,0,0]=3 10067 B12R0.270 CC(C)CCCCC(=O)NC(C)C 527a_100138425928_100011933920 [0,2,0,0,0,0|1,0,0]=3 10068 B12R0.270 CC(C)CCCNC(=O)CC(C)C 11a_200000737386_100000210554 [0,2,0,0,0,0|2,0,0]=4 10069 B12R0.270 CC(C)CCCNC(=O)CC(C)C 1626a_200000737386_100000210554 [0,2,0,0,0,0|2,0,0]=4 10070 B12R0.270 CC(C)CCCNC(=O)CC(C)C 240690a_200000737386_100000210554 [0,2,0,0,0,0|2,0,0]=4 10071 B12R0.270 CC(C)CCCNC(=O)CC(C)C 527a_200000737386_100000210554 [0,2,0,0,0,0|2,0,0]=4 10072 B12R0.270 CC(C)CCCNC(=O)C[C@@H](C)O 240690a_200000737386_100011933948 [0,2,0,0,0,0|2,0,0]=4 10073 B12R0.270 CC(C)CCCNC(=O)NC(C)C 2708a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 10074 B12R0.270 CC(C)CCCNC(=O)NC(C)C 2708a_200000737386_100138425928 [0,2,0,0,0,0|2,0,0]=4 10075 B12R0.270 CC(C)CCCNC(=O)NC(C)C 273464a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 10076 B12R0.270 CC(C)CCCNC(=O)NC(C)C 512a_100138425928_200000737386 [0,2,0,0,0,0|2,0,0]=4 10077 B12R0.270 CC(C)CCCNC(=O)NC(C)C 512a_200000737386_100138425928 [0,2,0,0,0,0|2,0,0]=4 10078 B12R0.270 CC(C)CCNCC(=O)NC(C)C 2230a_100000168517_100000210312 [0,2,0,0,0,0|2,0,0]=4 10079 B12R0.270 CC(C)CCNCC(=O)NC(C)C 269862a_100000168517_100000185833 [0,2,0,0,0,0|2,0,0]=4 10080 B12R0.270 CC(C)CCOCC(=O)NC(C)C 34a_100000210254_100000183996 [0,2,0,0,0,0|2,0,0]=4 10081 B12R0.270 CC(C)CCOCC(=O)NC(C)C 7a_100000210254_100000183996 [0,2,0,0,0,0|2,0,0]=4 10082 B12R0.270 CC(C)CCOCC(=O)OC(C)C 34a_100000210254_100011215430 [0,2,0,0,0,0|1,0,0]=3 10083 B12R0.270 CC(C)CCOCC(=O)OC(C)C 7a_100000210254_100011215430 [0,2,0,0,0,0|1,0,0]=3 10084 B12R0.270 CC(C)CCSCC(=O)NC(C)C 62a_100000183996_100000210312 [0,2,0,0,0,0|2,0,0]=4 10085 B12R0.270 CC(C)CCSCC(=O)NC(C)C 62a_100000210312_100000183996 [0,2,0,0,0,0|2,0,0]=4 10086 B12R0.270 CC(C)CCSCC(=O)OC(C)C 62a_100000210312_100011215430 [0,2,0,0,0,0|1,0,0]=3 10087 B12R0.270 CC(C)CCSCC(=O)OC(C)C 62a_100011215430_100000210312 [0,2,0,0,0,0|1,0,0]=3 10088 B12R0.270 CC(C)CNCCC(=O)NC(C)C 2230a_100000210953_100000737564 [0,2,0,0,0,0|2,0,0]=4 10089 B12R0.270 CC(C)CNCCC(=O)OC(C)C 2230a_100000210953_100000760027 [0,2,0,0,0,0|1,0,0]=3 10090 B12R0.270 CC(C)CSCCC(=O)NC(C)C 62a_100000210624_100000737564 [0,2,0,0,0,0|2,0,0]=4 10091 B12R0.270 CC(C)CSCCC(=O)NC(C)C 62a_100000737564_100000210760 [0,2,0,0,0,0|2,0,0]=4 10092 B12R0.270 CC(C)CSCCC(=O)OC(C)C 62a_100000210624_100000760027 [0,2,0,0,0,0|1,0,0]=3 10093 B12R0.270 CC(C)CSCCC(=O)OC(C)C 62a_100000760027_100000210760 [0,2,0,0,0,0|1,0,0]=3 10094 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000003507_100000210760 [0,2,0,0,0,0|2,0,0]=4 10095 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000210624_100000003507 [0,2,0,0,0,0|2,0,0]=4 10096 B12R0.270 CC(C)NC(=O)CCCCN(C)C 11a_100138425928_100000751710 [0,2,0,0,0,0|2,0,0]=4 10097 B12R0.270 CC(C)NC(=O)CCCCN(C)C 240690a_100138425928_100000751710 [0,2,0,0,0,0|2,0,0]=4 10098 B12R0.270 CC(C)NC(=O)CCCCN(C)C 527a_100138425928_100000751710 [0,2,0,0,0,0|2,0,0]=4 10099 B12R0.270 CC(C)NC(=O)CCSC[C@@H](C)O 62a_100000737564_100009817552 [0,2,0,0,0,0|2,0,0]=4 10100 B12R0.270 CC(C)NC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737564 [0,2,0,0,0,0|2,0,0]=4 10101 B12R0.270 CC(C)NC(=O)COCC[C@@H](C)N 34a_100000706166_100000183996 [0,2,0,0,0,0|2,0,0]=4 10102 B12R0.270 CC(C)OC(=O)CCSCC(F)F 62a_100000760027_100011934356 [0,2,0,0,0,0|2,0,0]=4 10103 B12R0.270 CC(C)OC(=O)CCSCC(F)F 62a_100011934356_100000760027 [0,2,0,0,0,0|2,0,0]=4 10104 B12R0.270 CC(C)OC(=O)CCSC[C@@H](C)O 62a_100000760027_100009817552 [0,2,0,0,0,0|1,0,0]=3 10105 B12R0.270 CC(C)OC(=O)CCSC[C@@H](C)O 62a_100009817552_100000760027 [0,2,0,0,0,0|1,0,0]=3 10106 B12R0.270 CC(C)OC(=O)COCCC(F)F 34a_100103093639_100011215430 [0,2,0,0,0,0|2,0,0]=4 10107 B12R0.270 CC(C)OC(=O)COCC[C@@H](C)N 34a_100000706166_100011215430 [0,2,0,0,0,0|1,0,0]=3 10108 B12R0.270 CC(C)OC(=O)CSCCN(C)C 62a_100011215430_100000755713 [0,2,0,0,0,0|2,0,0]=4 10109 B12R0.270 CC(C)OC(=O)OCSC[C@@H](C)O 62a_100000003507_100009817552 [0,2,0,0,0,0|2,0,0]=4 10110 B12R0.270 CC(C)OC(=O)OCSC[C@@H](C)O 62a_100009817552_100000003507 [0,2,0,0,0,0|2,0,0]=4 10111 B12R0.270 CC(C)OCSCC(=O)OC(C)C 62a_100000709892_100011215430 [0,2,0,0,0,0|2,0,0]=4 10112 B12R0.270 CC(C)OCSCC(=O)OC(C)C 62a_100011215430_100000709892 [0,2,0,0,0,0|2,0,0]=4 10113 B12R0.270 CC(O)CCNCC(=O)NC(C)C 2230a_100000168517_100012276601 [0,2,0,0,0,0|2,0,0]=4 10114 B12R0.270 CC(O)CCNCC(=O)NC(C)C 2230a_200000755665_100000183996 [0,2,0,0,0,0|2,0,0]=4 10115 B12R0.270 CC(O)CCNCC(=O)OC(C)C 2230a_200000755665_100011215430 [0,2,0,0,0,0|1,0,0]=3 10116 B12R0.270 CC(O)CCSCC(=O)NC(C)C 62a_100000183996_100012276601 [0,2,0,0,0,0|2,0,0]=4 10117 B12R0.270 CC(O)CCSCC(=O)NC(C)C 62a_100012276601_100000183996 [0,2,0,0,0,0|2,0,0]=4 10118 B12R0.270 CC(O)CCSCC(=O)OC(C)C 62a_100011215430_100012276601 [0,2,0,0,0,0|1,0,0]=3 10119 B12R0.270 CC(O)CCSCC(=O)OC(C)C 62a_100012276601_100011215430 [0,2,0,0,0,0|1,0,0]=3 10120 B12R0.270 CC(O)CNCCC(=O)NC(C)C 2230a_100000210904_100000737564 [0,2,0,0,0,0|2,0,0]=4 10121 B12R0.270 CC(O)CNCCC(=O)OC(C)C 2230a_100000210904_100000760027 [0,2,0,0,0,0|1,0,0]=3 10122 B12R0.270 CC(O)CSCCC(=O)NC(C)C 62a_100000737564_100011218427 [0,2,0,0,0,0|2,0,0]=4 10123 B12R0.270 CC(O)CSCCC(=O)NC(C)C 62a_100011218427_100000737564 [0,2,0,0,0,0|2,0,0]=4 10124 B12R0.270 CC(O)CSCCC(=O)OC(C)C 62a_100000760027_100011218427 [0,2,0,0,0,0|1,0,0]=3 10125 B12R0.270 CC(O)CSCCC(=O)OC(C)C 62a_100011218427_100000760027 [0,2,0,0,0,0|1,0,0]=3 10126 B12R0.270 CC(O)CSCOC(=O)OC(C)C 62a_100000003507_100011218427 [0,2,0,0,0,0|2,0,0]=4 10127 B12R0.270 CC(O)CSCOC(=O)OC(C)C 62a_100011218427_100000003507 [0,2,0,0,0,0|2,0,0]=4 10128 B12R0.272 C=C(C)CC(=O)CCC(=O)OCC 1458a_100000183558_100000748629 [0,2,0,0,0,0|0,0,2]=4 10129 B12R0.272 C=C(C)CN(C)CCC(=O)OCC 2230a_100000225649_100011206558 [0,2,0,0,0,0|1,0,1]=4 10130 B12R0.272 C=C(C)CN(C)CCC(=O)OCC 2230a_100000745921_100000748629 [0,2,0,0,0,0|1,0,1]=4 10131 B12R0.272 C=C(C)CN(C)CCC(=O)OCC 269982a_100000225649_100011206558 [0,2,0,0,0,0|1,0,1]=4 10132 B12R0.272 C=C(C)CN(C)CCC(=O)OCC 269982a_100000745921_100000748629 [0,2,0,0,0,0|1,0,1]=4 10133 B12R0.272 CC(C)OC(=O)CCC(=O)CCO 1458a_100011216618_100000760027 [0,2,0,0,0,0|1,0,1]=4 10134 B12R0.272 CC(C)OC(=O)CCN(C)CCO 2230a_100000210263_100000760027 [0,2,0,0,0,0|2,0,0]=4 10135 B12R0.272 CC(C)OC(=O)CCN(C)CCO 269982a_100000210263_100000760027 [0,2,0,0,0,0|2,0,0]=4 10136 B12R0.272 CC(C)OC(=O)CN[C@H](C)CCO 2230a_100000706166_100011215430 [0,2,0,0,0,0|2,0,0]=4 10137 B12R0.272 CC(C)OC(=O)CN[C@H](C)CCO 34a_100000706166_100011215430 [0,2,0,0,0,0|2,0,0]=4 10138 B12R0.272 CC(C)OC(=O)COC(C)CCBr 34a_100012276601_100011215430 [0,2,0,0,0,0|2,0,0]=4 10139 B12R0.272 CC(C)OC(=O)CSC(C)CCO 62a_100009893172_100011215430 [0,2,0,0,0,0|2,0,0]=4 10140 B12R0.272 CC(C)OC(=O)CSC(C)CCO 62a_100011215430_100009893172 [0,2,0,0,0,0|2,0,0]=4 10141 B12R0.272 CCCC(=O)CCC(=O)NC(C)C 1458a_100000211992_100000737564 [0,2,0,0,0,0|1,0,1]=4 10142 B12R0.272 CCCC(=O)CCC(=O)OC(C)C 1458a_100000211992_100000760027 [0,2,0,0,0,0|0,0,1]=3 10143 B12R0.272 CCCC(=O)CNC(C)CC(C)C 2230a_100000692259_100000747444 [0,2,0,0,0,0|2,0,0]=4 10144 B12R0.272 CCCC(=O)COC(=O)OC(C)C 1458a_100000211992_100000003507 [0,2,0,0,0,0|1,0,1]=4 10145 B12R0.272 CCCC(=O)COC(C)CC(C)C 7a_100000211805_100000747444 [0,2,0,0,0,0|2,0,0]=4 10146 B12R0.272 CCCC(=O)CSC(C)CC(C)C 62a_100000731052_100000747444 [0,2,0,0,0,0|2,0,0]=4 10147 B12R0.272 CCCC(=O)CSC(C)CC(C)C 62a_100000747444_100000731052 [0,2,0,0,0,0|2,0,0]=4 10148 B12R0.272 CCCC(C)NCC(=O)NC(C)C 2230a_100000168517_100000766640 [0,2,0,0,0,0|2,0,0]=4 10149 B12R0.272 CCCC(C)NCC(=O)NC(C)C 2230a_100000741246_100000183996 [0,2,0,0,0,0|2,0,0]=4 10150 B12R0.272 CCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100000211909 [0,2,0,0,0,0|2,0,0]=4 10151 B12R0.272 CCCC(C)NCC(=O)OC(C)C 2230a_100000741246_100011215430 [0,2,0,0,0,0|1,0,0]=3 10152 B12R0.272 CCCC(C)OCC(=O)NC(C)C 34a_100000764384_100000183996 [0,2,0,0,0,0|2,0,0]=4 10153 B12R0.272 CCCC(C)OCC(=O)NC(C)C 7a_100000764384_100000183996 [0,2,0,0,0,0|2,0,0]=4 10154 B12R0.272 CCCC(C)OCC(=O)OC(C)C 34a_100000764384_100011215430 [0,2,0,0,0,0|1,0,0]=3 10155 B12R0.272 CCCC(C)OCC(=O)OC(C)C 7a_100000764384_100011215430 [0,2,0,0,0,0|1,0,0]=3 10156 B12R0.272 CCCC(C)SCC(=O)NC(C)C 62a_100000183996_100000766640 [0,2,0,0,0,0|2,0,0]=4 10157 B12R0.272 CCCC(C)SCC(=O)NC(C)C 62a_100000766640_100000183996 [0,2,0,0,0,0|2,0,0]=4 10158 B12R0.272 CCCC(C)SCC(=O)OC(C)C 62a_100000766640_100011215430 [0,2,0,0,0,0|1,0,0]=3 10159 B12R0.272 CCCC(C)SCC(=O)OC(C)C 62a_100011215430_100000766640 [0,2,0,0,0,0|1,0,0]=3 10160 B12R0.272 CCCN(C)CCC(=O)NC(C)C 2230a_100000747261_100000737564 [0,2,0,0,0,0|2,0,0]=4 10161 B12R0.272 CCCN(C)CCC(=O)NC(C)C 269982a_100000747261_100000737564 [0,2,0,0,0,0|2,0,0]=4 10162 B12R0.272 CCCN(C)CCC(=O)OC(C)C 2230a_100000747261_100000760027 [0,2,0,0,0,0|1,0,0]=3 10163 B12R0.272 CCCN(C)CCC(=O)OC(C)C 269982a_100000747261_100000760027 [0,2,0,0,0,0|1,0,0]=3 10164 B12R0.272 CCCN(C)COC(=O)OC(C)C 269982a_100000747261_100010125566 [0,2,0,0,0,0|2,0,0]=4 10165 B12R0.272 CCNC(=O)CCC(=O)CC(C)C 1458a_100000199579_100000210624 [0,2,0,0,0,0|1,0,1]=4 10166 B12R0.272 CCNC(=O)CCC(=O)CC(C)O 1458a_100000199579_100011218427 [0,2,0,0,0,0|1,0,1]=4 10167 B12R0.272 CCNC(=O)CCN(C)CC(C)C 2230a_100000747067_100000737597 [0,2,0,0,0,0|2,0,0]=4 10168 B12R0.272 CCNC(=O)CCN(C)CC(C)C 269982a_100000747067_100000737597 [0,2,0,0,0,0|2,0,0]=4 10169 B12R0.272 CCNC(=O)CCN(C)CC(C)O 2230a_100000227577_100000737597 [0,2,0,0,0,0|2,0,0]=4 10170 B12R0.272 CCNC(=O)CCN(C)CC(C)O 269982a_100000227577_100000737597 [0,2,0,0,0,0|2,0,0]=4 10171 B12R0.272 CCNC(=O)CNC(C)CC(C)C 2230a_100000692259_100000183381 [0,2,0,0,0,0|2,0,0]=4 10172 B12R0.272 CCNC(=O)CNC(C)CC(C)C 2230a_100016988866_100000731052 [0,2,0,0,0,0|2,0,0]=4 10173 B12R0.272 CCNC(=O)COC(C)CC(C)C 34a_100000211805_100000183381 [0,2,0,0,0,0|2,0,0]=4 10174 B12R0.272 CCNC(=O)COC(C)CC(C)C 7a_100000211805_100000183381 [0,2,0,0,0,0|2,0,0]=4 10175 B12R0.272 CCNC(=O)CSC(C)CC(C)C 62a_100000183381_100000731052 [0,2,0,0,0,0|2,0,0]=4 10176 B12R0.272 CCNC(=O)CSC(C)CC(C)C 62a_100000731052_100000183381 [0,2,0,0,0,0|2,0,0]=4 10177 B12R0.272 CCOC(=O)CCC(=O)CC(C)C 1458a_100000183558_100000210624 [0,2,0,0,0,0|0,0,1]=3 10178 B12R0.272 CCOC(=O)CCC(=O)CC(C)O 1458a_100000183558_100011218427 [0,2,0,0,0,0|0,0,1]=3 10179 B12R0.272 CCOC(=O)CCC(=O)CC(F)F 1458a_100000183558_100011934356 [0,2,0,0,0,0|1,0,1]=4 10180 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 11a_100138425928_100000183558 [0,2,0,0,0,0|1,0,1]=4 10181 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 1626a_100138425928_100000183558 [0,2,0,0,0,0|1,0,1]=4 10182 B12R0.272 CCOC(=O)CCC(=O)NC(C)C 240690a_100138425928_100000183558 [0,2,0,0,0,0|1,0,1]=4 10183 B12R0.272 CCOC(=O)CCC(C)NC(C)C 2230a_100138425928_100000748298 [0,2,0,0,0,0|1,0,0]=3 10184 B12R0.272 CCOC(=O)CCC(C)NC(C)C 34a_100138425928_100000748298 [0,2,0,0,0,0|1,0,0]=3 10185 B12R0.272 CCOC(=O)CCC(C)OC(C)C 34a_100000212225_100000748298 [0,2,0,0,0,0|1,0,0]=3 10186 B12R0.272 CCOC(=O)CCC(C)SC(C)C 62a_100000210206_100000748298 [0,2,0,0,0,0|1,0,0]=3 10187 B12R0.272 CCOC(=O)CCC(C)SC(C)C 62a_100000748298_100000210206 [0,2,0,0,0,0|1,0,0]=3 10188 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000745921_100000210760 [0,2,0,0,0,0|1,0,0]=3 10189 B12R0.272 CCOC(=O)CCN(C)CC(C)C 2230a_100000747067_100011206558 [0,2,0,0,0,0|1,0,0]=3 10190 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000745921_100000210624 [0,2,0,0,0,0|1,0,0]=3 10191 B12R0.272 CCOC(=O)CCN(C)CC(C)C 269982a_100000747067_100011206558 [0,2,0,0,0,0|1,0,0]=3 10192 B12R0.272 CCOC(=O)CCN(C)CC(C)O 2230a_100000227577_100011206558 [0,2,0,0,0,0|1,0,0]=3 10193 B12R0.272 CCOC(=O)CCN(C)CC(C)O 2230a_100000745921_100011218427 [0,2,0,0,0,0|1,0,0]=3 10194 B12R0.272 CCOC(=O)CCN(C)CC(C)O 269982a_100000227577_100011206558 [0,2,0,0,0,0|1,0,0]=3 10195 B12R0.272 CCOC(=O)CCN(C)CC(C)O 269982a_100000745921_100011218427 [0,2,0,0,0,0|1,0,0]=3 10196 B12R0.272 CCOC(=O)CCN(C)CC(F)F 2230a_100000745921_100011934356 [0,2,0,0,0,0|2,0,0]=4 10197 B12R0.272 CCOC(=O)CCN(C)CC(F)F 269982a_100000745921_100011934356 [0,2,0,0,0,0|2,0,0]=4 10198 B12R0.272 CCOC(=O)CCN(C)C[C@@H](C)O 2230a_100000745921_100009817552 [0,2,0,0,0,0|1,0,0]=3 10199 B12R0.272 CCOC(=O)CCN(C)C[C@@H](C)O 269982a_100000745921_100009817552 [0,2,0,0,0,0|1,0,0]=3 10200 B12R0.272 CCOC(=O)CNC(=O)CC(C)C 188690a_100000741813_100000210554 [0,2,0,0,0,0|1,0,1]=4 10201 B12R0.272 CCOC(=O)CNC(=O)C[C@@H](C)O 188690a_100000741813_100011933948 [0,2,0,0,0,0|1,0,1]=4 10202 B12R0.272 CCOC(=O)CNC(C)CC(C)C 2230a_100000692259_100000188475 [0,2,0,0,0,0|1,0,0]=3 10203 B12R0.272 CCOC(=O)COC(C)CC(C)C 34a_100000211805_100000188475 [0,2,0,0,0,0|1,0,0]=3 10204 B12R0.272 CCOC(=O)COC(C)CC(C)C 7a_100000211805_100000188475 [0,2,0,0,0,0|1,0,0]=3 10205 B12R0.272 CCOC(=O)CSC(C)CC(C)C 62a_100000188475_100000731052 [0,2,0,0,0,0|1,0,0]=3 10206 B12R0.272 CCOC(=O)CSC(C)CC(C)C 62a_100000731052_100000188475 [0,2,0,0,0,0|1,0,0]=3 10207 B12R0.272 CCOC(=O)CSC(C)CN(C)C 62a_100000188475_100020606517 [0,2,0,0,0,0|2,0,0]=4 10208 B12R0.272 CCOC(=O)CSC(C)CN(C)C 62a_100020606517_100000188475 [0,2,0,0,0,0|2,0,0]=4 10209 B12R0.272 CCOC(=O)NCC(=O)CC(C)C 1458a_100000190774_100000210624 [0,2,0,0,0,0|1,0,1]=4 10210 B12R0.272 CCOC(=O)NCC(=O)CC(C)O 1458a_100000190774_100011218427 [0,2,0,0,0,0|1,0,1]=4 10211 B12R0.272 COCC(=O)CCC(=O)OC(C)C 1458a_100000210968_100000760027 [0,2,0,0,0,0|1,0,1]=4 10212 B12R0.272 COCC(C)SCC(=O)OC(C)C 62a_100000765312_100011215430 [0,2,0,0,0,0|2,0,0]=4 10213 B12R0.272 COCC(C)SCC(=O)OC(C)C 62a_100011215430_100000765312 [0,2,0,0,0,0|2,0,0]=4 10214 B12R0.272 COC[C@@H](C)NCC(=O)OC(C)C 2230a_100000764878_100011215430 [0,2,0,0,0,0|2,0,0]=4 10215 B12R0.272 COC[C@@H](C)OCC(=O)OC(C)C 34a_100011934205_100011215430 [0,2,0,0,0,0|2,0,0]=4 10216 B12R0.272 CSCC(=O)CCC(=O)OC(C)C 1458a_100000184570_100000760027 [0,2,0,0,0,0|1,0,1]=4 10217 B12R0.598 CCCCCCC(C)(C)OC(C)C 7a_200011995690_100000210206 [0,2,0,0,0,0|1,0,1]=4 10218 B12R0.598 CCCCCCS(=O)(=O)NC(C)C 270084a_100138425928_100011361803 [0,2,0,0,0,0|2,0,0]=4 10219 B12R0.598 CCCCCCS(=O)(=O)NC(C)C 274078a_100138425928_100011361803 [0,2,0,0,0,0|2,0,0]=4 10220 B12R0.1 C#CCCCCCCC(=O)C#CC 1458a_100000763181_100012276617 [0,2,0,0,0,0|1,0,1]=4 10221 B12R0.1 C#CCCCCCCC(=O)C=CC 1458a_100000210699_100012276617 [0,2,0,0,0,0|1,0,1]=4 10222 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,2,0,0,0,0|1,0,0]=3 10223 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,2,0,0,0,0|1,0,0]=3 10224 B12R0.1 C#CCCCCCCC(=O)CCF 1458a_100000034748_100011217306 [0,2,0,0,0,0|2,0,0]=4 10225 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,2,0,0,0,0|2,0,0]=4 10226 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,2,0,0,0,0|2,0,0]=4 10227 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,2,0,0,0,0|2,0,0]=4 10228 B12R0.1 C#CCCCCCCC(=O)CSC 1458a_100000184570_100012276617 [0,2,0,0,0,0|2,0,0]=4 10229 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [0,2,0,0,0,0|1,0,0]=3 10230 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [0,2,0,0,0,0|1,0,0]=3 10231 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [0,2,0,0,0,0|1,0,0]=3 10232 B12R0.1 C#CCCCCCCC(=O)NNC 22a_100016993582_100000034748 [0,2,0,0,0,0|2,0,0]=4 10233 B12R0.1 C#CCCCCNCC(=O)CCC 2230a_100000706060_100000747444 [0,2,0,0,0,0|1,0,1]=4 10234 B12R0.1 C#CCCCCNCC(=O)NCC 2230a_100000706060_100000183381 [0,2,0,0,0,0|1,0,1]=4 10235 B12R0.1 C#CCCCCNCC(=O)NCC 2230a_100016988866_100010269958 [0,2,0,0,0,0|1,0,1]=4 10236 B12R0.1 C#CCCCCNCC(=O)NCC 34a_100000706060_100000183381 [0,2,0,0,0,0|1,0,1]=4 10237 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [0,2,0,0,0,0|0,0,1]=3 10238 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [0,2,0,0,0,0|0,0,1]=3 10239 B12R0.1 C#CCCCCOCC(=O)CCC 7a_100000766709_100000747444 [0,2,0,0,0,0|1,0,1]=4 10240 B12R0.1 C#CCCCCOCC(=O)NCC 34a_100000766709_100000183381 [0,2,0,0,0,0|1,0,1]=4 10241 B12R0.1 C#CCCCCOCC(=O)NCC 7a_100000766709_100000183381 [0,2,0,0,0,0|1,0,1]=4 10242 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,2,0,0,0,0|0,0,1]=3 10243 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,2,0,0,0,0|0,0,1]=3 10244 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100000747444_100010269958 [0,2,0,0,0,0|1,0,1]=4 10245 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100010269958_100000747444 [0,2,0,0,0,0|1,0,1]=4 10246 B12R0.1 C#CCCCCSCC(=O)NCC 62a_100000183381_100010269958 [0,2,0,0,0,0|1,0,1]=4 10247 B12R0.1 C#CCCCCSCC(=O)NCC 62a_100010269958_100000183381 [0,2,0,0,0,0|1,0,1]=4 10248 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [0,2,0,0,0,0|0,0,1]=3 10249 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [0,2,0,0,0,0|0,0,1]=3 10250 B12R0.1 C#CCCCNCCC(=O)NCC 34a_100025743525_100000695029 [0,2,0,0,0,0|1,0,1]=4 10251 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [0,2,0,0,0,0|0,0,1]=3 10252 B12R0.1 C#CCCCOCCC(=O)NCC 7a_100000215630_100000737597 [0,2,0,0,0,0|1,0,1]=4 10253 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [0,2,0,0,0,0|0,0,1]=3 10254 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [0,2,0,0,0,0|0,0,1]=3 10255 B12R0.1 C#CCCCSCCC(=O)NCC 62a_100000737597_100011215417 [0,2,0,0,0,0|1,0,1]=4 10256 B12R0.1 C#CCCCSCCC(=O)NCC 62a_100011215417_100000737597 [0,2,0,0,0,0|1,0,1]=4 10257 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [0,2,0,0,0,0|0,0,1]=3 10258 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [0,2,0,0,0,0|0,0,1]=3 10259 B12R0.1 C#CCCCSCOC(=O)OCC 62a_100011215417_100000075025 [0,2,0,0,0,0|0,0,2]=4 10260 B12R0.1 C#CCCNCCCC(=O)OCC 34a_100000755551_100009991533 [0,2,0,0,0,0|0,0,1]=3 10261 B12R0.1 C#CCCOCCCC(=O)OCC 34a_100011215631_100009991533 [0,2,0,0,0,0|0,0,1]=3 10262 B12R0.1 C#CCCOCCCC(=O)OCC 7a_100012001163_100000688953 [0,2,0,0,0,0|0,0,1]=3 10263 B12R0.1 C#CCCOCCNC(=O)OCC 34a_100000158857_100000688953 [0,2,0,0,0,0|0,0,2]=4 10264 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100000688953_100009991533 [0,2,0,0,0,0|0,0,1]=3 10265 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100009991533_100000688953 [0,2,0,0,0,0|0,0,1]=3 10266 B12R0.1 C#CCCSCCNC(=O)OCC 62a_100000688953_200011445536 [0,2,0,0,0,0|0,0,2]=4 10267 B12R0.1 C#CCNCCCCC(=O)OCC 34a_100000212058_100000750268 [0,2,0,0,0,0|0,0,1]=3 10268 B12R0.1 C#CCNCCOCC(=O)OCC 34a_100000212058_100000088970 [0,2,0,0,0,0|0,0,2]=4 10269 B12R0.1 C#CCOCCCCC(=O)OCC 34a_100000210247_100000750268 [0,2,0,0,0,0|0,0,1]=3 10270 B12R0.1 C#CCOCCNCC(=O)OCC 2230a_100000700922_100000188475 [0,2,0,0,0,0|0,0,2]=4 10271 B12R0.1 C#CCOCCNCC(=O)OCC 34a_100000700922_100000188475 [0,2,0,0,0,0|0,0,2]=4 10272 B12R0.1 C#CCOCCOCC(=O)OCC 34a_100000054580_100000188475 [0,2,0,0,0,0|0,0,2]=4 10273 B12R0.1 C#CCOCCOCC(=O)OCC 34a_100000210247_100000088970 [0,2,0,0,0,0|0,0,2]=4 10274 B12R0.1 C#CCOCCOCC(=O)OCC 7a_100000054580_100000188475 [0,2,0,0,0,0|0,0,2]=4 10275 B12R0.1 C#CCOCCSCC(=O)OCC 62a_100000188475_100010402529 [0,2,0,0,0,0|0,0,2]=4 10276 B12R0.1 C#CCOCCSCC(=O)OCC 62a_100010402529_100000188475 [0,2,0,0,0,0|0,0,2]=4 10277 B12R0.1 C#CCOCCSCC(=O)OCC 7a_200000230590_100000038162 [0,2,0,0,0,0|0,0,2]=4 10278 B12R0.1 C#CCSCCCCC(=O)OCC 62a_100000038162_100000750268 [0,2,0,0,0,0|0,0,1]=3 10279 B12R0.1 C#CCSCCOCC(=O)OCC 62a_100000038162_100000088970 [0,2,0,0,0,0|0,0,2]=4 10280 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [0,2,0,0,0,0|0,0,1]=3 10281 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [0,2,0,0,0,0|0,0,1]=3 10282 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [0,2,0,0,0,0|0,0,1]=3 10283 B12R0.1 C/C=C/COCCNC(=O)OCC 34a_100000158857_100102629194 [0,2,0,0,0,0|0,0,2]=4 10284 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100009991533_100102629194 [0,2,0,0,0,0|0,0,1]=3 10285 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100102629194_100009991533 [0,2,0,0,0,0|0,0,1]=3 10286 B12R0.1 C/C=C/CSCCNC(=O)OCC 62a_100102629194_200011445536 [0,2,0,0,0,0|0,0,2]=4 10287 B12R0.1 C=CCCCCCCC(=O)C#CC 1458a_100000763181_100011215473 [0,2,0,0,0,0|1,0,1]=4 10288 B12R0.1 C=CCCCCCCC(=O)C=CC 1458a_100000210699_100011215473 [0,2,0,0,0,0|1,0,1]=4 10289 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,2,0,0,0,0|1,0,0]=3 10290 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,2,0,0,0,0|1,0,0]=3 10291 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,2,0,0,0,0|2,0,0]=4 10292 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,2,0,0,0,0|2,0,0]=4 10293 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,2,0,0,0,0|2,0,0]=4 10294 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,2,0,0,0,0|2,0,0]=4 10295 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,2,0,0,0,0|2,0,0]=4 10296 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,2,0,0,0,0|1,0,0]=3 10297 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,2,0,0,0,0|1,0,0]=3 10298 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,2,0,0,0,0|1,0,0]=3 10299 B12R0.1 C=CCCCCCCC(=O)NNC 22a_100016993582_100011809334 [0,2,0,0,0,0|2,0,0]=4 10300 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [0,2,0,0,0,0|1,0,1]=4 10301 B12R0.1 C=CCCCCNCC(=O)NCC 2230a_100000703577_100000183381 [0,2,0,0,0,0|1,0,1]=4 10302 B12R0.1 C=CCCCCNCC(=O)NCC 2230a_100016988866_100011215482 [0,2,0,0,0,0|1,0,1]=4 10303 B12R0.1 C=CCCCCNCC(=O)NCC 34a_100000703577_100000183381 [0,2,0,0,0,0|1,0,1]=4 10304 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [0,2,0,0,0,0|0,0,1]=3 10305 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [0,2,0,0,0,0|0,0,1]=3 10306 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,2,0,0,0,0|1,0,1]=4 10307 B12R0.1 C=CCCCCOCC(=O)NCC 34a_100000766645_100000183381 [0,2,0,0,0,0|1,0,1]=4 10308 B12R0.1 C=CCCCCOCC(=O)NCC 7a_100000766645_100000183381 [0,2,0,0,0,0|1,0,1]=4 10309 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,2,0,0,0,0|0,0,1]=3 10310 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,2,0,0,0,0|0,0,1]=3 10311 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [0,2,0,0,0,0|1,0,1]=4 10312 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [0,2,0,0,0,0|1,0,1]=4 10313 B12R0.1 C=CCCCCSCC(=O)NCC 62a_100000183381_100011215482 [0,2,0,0,0,0|1,0,1]=4 10314 B12R0.1 C=CCCCCSCC(=O)NCC 62a_100011215482_100000183381 [0,2,0,0,0,0|1,0,1]=4 10315 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [0,2,0,0,0,0|0,0,1]=3 10316 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [0,2,0,0,0,0|0,0,1]=3 10317 B12R0.1 C=CCCCNCCC(=O)NCC 2230a_100000700776_100000737597 [0,2,0,0,0,0|1,0,1]=4 10318 B12R0.1 C=CCCCNCCC(=O)NCC 34a_100025743525_100000757094 [0,2,0,0,0,0|1,0,1]=4 10319 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [0,2,0,0,0,0|0,0,1]=3 10320 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [0,2,0,0,0,0|0,0,1]=3 10321 B12R0.1 C=CCCCOCCC(=O)NCC 7a_100000758997_100000737597 [0,2,0,0,0,0|1,0,1]=4 10322 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [0,2,0,0,0,0|0,0,1]=3 10323 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [0,2,0,0,0,0|0,0,1]=3 10324 B12R0.1 C=CCCCSCCC(=O)NCC 62a_100000737597_100000757094 [0,2,0,0,0,0|1,0,1]=4 10325 B12R0.1 C=CCCCSCCC(=O)NCC 62a_100011713584_100000737597 [0,2,0,0,0,0|1,0,1]=4 10326 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [0,2,0,0,0,0|0,0,1]=3 10327 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [0,2,0,0,0,0|0,0,1]=3 10328 B12R0.1 C=CCCCSCOC(=O)OCC 62a_100011713584_100000075025 [0,2,0,0,0,0|0,0,2]=4 10329 B12R0.1 C=CCCNCCCC(=O)OCC 2230a_100015191253_100009991533 [0,2,0,0,0,0|0,0,1]=3 10330 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [0,2,0,0,0,0|0,0,1]=3 10331 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [0,2,0,0,0,0|0,0,1]=3 10332 B12R0.1 C=CCCOCCNC(=O)OCC 34a_100000158857_100000754431 [0,2,0,0,0,0|0,0,2]=4 10333 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100000754431_100009991533 [0,2,0,0,0,0|0,0,1]=3 10334 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100009991533_100000754431 [0,2,0,0,0,0|0,0,1]=3 10335 B12R0.1 C=CCCSCCNC(=O)OCC 62a_100000754431_200011445536 [0,2,0,0,0,0|0,0,2]=4 10336 B12R0.1 C=CCNCCCCC(=O)OCC 2230a_100020586998_100000750268 [0,2,0,0,0,0|0,0,1]=3 10337 B12R0.1 C=CCNCCOCC(=O)OCC 2230a_100020586998_100000088970 [0,2,0,0,0,0|0,0,2]=4 10338 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [0,2,0,0,0,0|0,0,1]=3 10339 B12R0.1 C=CCOCCOCC(=O)OCC 34a_100000037705_100000188475 [0,2,0,0,0,0|0,0,2]=4 10340 B12R0.1 C=CCOCCOCC(=O)OCC 34a_200000210373_100000088970 [0,2,0,0,0,0|0,0,2]=4 10341 B12R0.1 C=CCOCCOCC(=O)OCC 7a_100000037705_100000188475 [0,2,0,0,0,0|0,0,2]=4 10342 B12R0.1 C=CCOCCSCC(=O)OCC 7a_200000230590_100015514636 [0,2,0,0,0,0|0,0,2]=4 10343 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000210623_100000750268 [0,2,0,0,0,0|0,0,1]=3 10344 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000750268_100000210623 [0,2,0,0,0,0|0,0,1]=3 10345 B12R0.1 C=CCSCCOCC(=O)OCC 62a_100000088970_100000210623 [0,2,0,0,0,0|0,0,2]=4 10346 B12R0.1 C=CCSCCOCC(=O)OCC 62a_100000210623_100000088970 [0,2,0,0,0,0|0,0,2]=4 10347 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,2,0,0,0,0|0,0,2]=4 10348 B12R0.1 C=COC(=O)CNCCCCCO 2230a_100000762737_100000036128 [0,2,0,0,0,0|0,0,2]=4 10349 B12R0.1 C=COC(=O)CNCCCCCO 34a_100000762737_100000036128 [0,2,0,0,0,0|0,0,2]=4 10350 B12R0.1 C=COC(=O)CNCCCOCC 2230a_100000210961_100000036128 [0,2,0,0,0,0|0,0,2]=4 10351 B12R0.1 C=COC(=O)CNCCCOCC 34a_100000210961_100000036128 [0,2,0,0,0,0|0,0,2]=4 10352 B12R0.1 C=COC(=O)CNCCOCCC 2230a_100161115042_100000036128 [0,2,0,0,0,0|0,0,2]=4 10353 B12R0.1 C=COC(=O)CNCCOCCC 34a_100161115042_100000036128 [0,2,0,0,0,0|0,0,2]=4 10354 B12R0.1 C=COC(=O)CNCCSCCC 2230a_100020603323_100000036128 [0,2,0,0,0,0|0,0,2]=4 10355 B12R0.1 C=COC(=O)COCCCCCBr 34a_100000746331_100000036128 [0,2,0,0,0,0|0,0,2]=4 10356 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,2,0,0,0,0|0,0,2]=4 10357 B12R0.1 C=COC(=O)COCCCCCCl 34a_100000746330_100000036128 [0,2,0,0,0,0|0,0,2]=4 10358 B12R0.1 C=COC(=O)COCCCCCI 34a_200012148887_100000036128 [0,2,0,0,0,0|0,0,2]=4 10359 B12R0.1 C=COC(=O)COCCCCCN 34a_100000762737_100000036128 [0,2,0,0,0,0|0,0,2]=4 10360 B12R0.1 C=COC(=O)COCCCCOC 34a_100000740925_100000036128 [0,2,0,0,0,0|0,0,2]=4 10361 B12R0.1 C=COC(=O)COCCCCSC 34a_100011217163_100000036128 [0,2,0,0,0,0|0,0,2]=4 10362 B12R0.1 C=COC(=O)COCCCOCC 34a_100000757476_100000036128 [0,2,0,0,0,0|0,0,2]=4 10363 B12R0.1 C=COC(=O)COCCCSCC 34a_100011216438_100000036128 [0,2,0,0,0,0|0,0,2]=4 10364 B12R0.1 C=COC(=O)COCCOCCC 34a_100000752267_100000036128 [0,2,0,0,0,0|0,0,2]=4 10365 B12R0.1 C=COC(=O)COCCSCCC 34a_200000230433_100000036128 [0,2,0,0,0,0|0,0,2]=4 10366 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,2,0,0,0,0|0,0,2]=4 10367 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,2,0,0,0,0|0,0,2]=4 10368 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000036128_100000729378 [0,2,0,0,0,0|0,0,2]=4 10369 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000729378_100000036128 [0,2,0,0,0,0|0,0,2]=4 10370 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000036128_100000746330 [0,2,0,0,0,0|0,0,2]=4 10371 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000746330_100000036128 [0,2,0,0,0,0|0,0,2]=4 10372 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000036128_100000730899 [0,2,0,0,0,0|0,0,2]=4 10373 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000730899_100000036128 [0,2,0,0,0,0|0,0,2]=4 10374 B12R0.1 C=COC(=O)CSCCCOCC 62a_100000036128_100012232248 [0,2,0,0,0,0|0,0,2]=4 10375 B12R0.1 C=COC(=O)CSCCCOCC 62a_100012232248_100000036128 [0,2,0,0,0,0|0,0,2]=4 10376 B12R0.1 C=COC(=O)CSCCOCCC 62a_100000036128_100011215938 [0,2,0,0,0,0|0,0,2]=4 10377 B12R0.1 C=COC(=O)CSCCOCCC 62a_100011215938_100000036128 [0,2,0,0,0,0|0,0,2]=4 10378 B12R0.1 C=COC(=O)CSCOCCCC 62a_100000036128_100011995733 [0,2,0,0,0,0|0,0,2]=4 10379 B12R0.1 C=COC(=O)CSCOCCCC 62a_100011995733_100000036128 [0,2,0,0,0,0|0,0,2]=4 10380 B12R0.1 C=COCCCNCC(=O)OCC 2230a_100000210767_100000188475 [0,2,0,0,0,0|0,0,2]=4 10381 B12R0.1 C=COCCCNCC(=O)OCC 34a_100000210767_100000188475 [0,2,0,0,0,0|0,0,2]=4 10382 B12R0.1 C=COCCOCCC(=O)OCC 34a_100000033082_100000765890 [0,2,0,0,0,0|0,0,2]=4 10383 B12R0.1 C=COCCSCCC(=O)OCC 62a_100000039644_100000765890 [0,2,0,0,0,0|0,0,2]=4 10384 B12R0.1 C=COCCSCCC(=O)OCC 62a_100000765890_100000039644 [0,2,0,0,0,0|0,0,2]=4 10385 B12R0.1 CC#CC(=O)CC#CCCCCC 1458a_100000763181_100009816472 [0,2,0,0,0,0|1,0,1]=4 10386 B12R0.1 CC#CC(=O)CCCCCCC#N 1458a_100000763181_100009813337 [0,2,0,0,0,0|1,0,1]=4 10387 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,2,0,0,0,0|1,0,1]=4 10388 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,2,0,0,0,0|1,0,1]=4 10389 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,2,0,0,0,0|1,0,1]=4 10390 B12R0.1 CC#CC(=O)CCCOCCOC 1458a_100000763181_100011216529 [0,2,0,0,0,0|1,0,1]=4 10391 B12R0.1 CC#CC(=O)CCOCCOCC 1458a_100000763181_100011211534 [0,2,0,0,0,0|1,0,1]=4 10392 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [0,2,0,0,0,0|0,0,1]=3 10393 B12R0.1 CC#CCNCCCC(=O)OCC 2230a_100000685387_100009991533 [0,2,0,0,0,0|0,0,1]=3 10394 B12R0.1 CC#CCNCCCC(=O)OCC 34a_100000685387_100009991533 [0,2,0,0,0,0|0,0,1]=3 10395 B12R0.1 CC#CCOCCCC(=O)OCC 34a_100000761923_100009991533 [0,2,0,0,0,0|0,0,1]=3 10396 B12R0.1 CC#CCOCCCC(=O)OCC 7a_100012001163_100000748600 [0,2,0,0,0,0|0,0,1]=3 10397 B12R0.1 CC#CCOCCNC(=O)OCC 34a_100000158857_100000748600 [0,2,0,0,0,0|0,0,2]=4 10398 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100000748600_100009991533 [0,2,0,0,0,0|0,0,1]=3 10399 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100009991533_100000748600 [0,2,0,0,0,0|0,0,1]=3 10400 B12R0.1 CC#CCSCCNC(=O)OCC 62a_100000748600_200011445536 [0,2,0,0,0,0|0,0,2]=4 10401 B12R0.1 CC/C=C\CCNCC(=O)NCC 2230a_100016988866_100015370543 [0,2,0,0,0,0|1,0,1]=4 10402 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,2,0,0,0,0|1,0,1]=4 10403 B12R0.1 CC/C=C\CCOCC(=O)NCC 34a_100016288707_100000183381 [0,2,0,0,0,0|1,0,1]=4 10404 B12R0.1 CC/C=C\CCOCC(=O)NCC 7a_100016288707_100000183381 [0,2,0,0,0,0|1,0,1]=4 10405 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,2,0,0,0,0|0,0,1]=3 10406 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,2,0,0,0,0|0,0,1]=3 10407 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [0,2,0,0,0,0|1,0,1]=4 10408 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [0,2,0,0,0,0|1,0,1]=4 10409 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100000183381_100015370543 [0,2,0,0,0,0|1,0,1]=4 10410 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100015370543_100000183381 [0,2,0,0,0,0|1,0,1]=4 10411 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,2,0,0,0,0|0,0,1]=3 10412 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,2,0,0,0,0|0,0,1]=3 10413 B12R0.1 CC/C=C\CNCCC(=O)NCC 34a_100025743525_100103147603 [0,2,0,0,0,0|1,0,1]=4 10414 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [0,2,0,0,0,0|0,0,1]=3 10415 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100000737597_100103147603 [0,2,0,0,0,0|1,0,1]=4 10416 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100103147603_100000737597 [0,2,0,0,0,0|1,0,1]=4 10417 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [0,2,0,0,0,0|0,0,1]=3 10418 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [0,2,0,0,0,0|0,0,1]=3 10419 B12R0.1 CC/C=C\CSCOC(=O)OCC 62a_100103147603_100000075025 [0,2,0,0,0,0|0,0,2]=4 10420 B12R0.1 CC=C=CCCOCC(=O)OCC 34a_100011020354_100000188475 [0,2,0,0,0,0|0,0,2]=4 10421 B12R0.1 CC=CC(=O)CC#CCCCCC 1458a_100000210699_100009816472 [0,2,0,0,0,0|1,0,1]=4 10422 B12R0.1 CC=CC(=O)CCCCCCC#N 1458a_100000210699_100009813337 [0,2,0,0,0,0|1,0,1]=4 10423 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,2,0,0,0,0|1,0,1]=4 10424 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,2,0,0,0,0|1,0,1]=4 10425 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,2,0,0,0,0|1,0,1]=4 10426 B12R0.1 CC=CC(=O)CCCOCCOC 1458a_100000210699_100011216529 [0,2,0,0,0,0|1,0,1]=4 10427 B12R0.1 CC=CC(=O)CCOCCOCC 1458a_100000210699_100011211534 [0,2,0,0,0,0|1,0,1]=4 10428 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,2,0,0,0,0|1,0,1]=4 10429 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,2,0,0,0,0|1,0,1]=4 10430 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,2,0,0,0,0|1,0,1]=4 10431 B12R0.1 CC=CC(=O)NCCCCCCO 240690a_100000686447_100000210699 [0,2,0,0,0,0|1,0,1]=4 10432 B12R0.1 CC=CC(=O)NCCCCCOC 11a_100000747528_100000210699 [0,2,0,0,0,0|1,0,1]=4 10433 B12R0.1 CC=CC(=O)NCCCCCOC 1626a_100000747528_100000210699 [0,2,0,0,0,0|1,0,1]=4 10434 B12R0.1 CC=CC(=O)NCCCCCOC 240690a_100000747528_100000210699 [0,2,0,0,0,0|1,0,1]=4 10435 B12R0.1 CC=CC(=O)NCCCOCCC 1626a_100011217757_100000210699 [0,2,0,0,0,0|1,0,1]=4 10436 B12R0.1 CC=CC(=O)NCCCOCCC 240690a_100011217757_100000210699 [0,2,0,0,0,0|1,0,1]=4 10437 B12R0.1 CC=CC(=O)NCCSCCCC 11a_100025743550_100000210699 [0,2,0,0,0,0|1,0,1]=4 10438 B12R0.1 CC=CC(=O)NCCSCCCC 1626a_100025743550_100000210699 [0,2,0,0,0,0|1,0,1]=4 10439 B12R0.1 CC=CC(=O)NCCSCCCC 240690a_100025743550_100000210699 [0,2,0,0,0,0|1,0,1]=4 10440 B12R0.1 CC=CCCCOCC(=O)NCC 34a_100020645299_100000183381 [0,2,0,0,0,0|1,0,1]=4 10441 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,2,0,0,0,0|0,0,1]=3 10442 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [0,2,0,0,0,0|0,0,1]=3 10443 B12R0.1 CC=CCOCCNC(=O)OCC 34a_100000158857_100000070051 [0,2,0,0,0,0|0,0,2]=4 10444 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100000070051_100009991533 [0,2,0,0,0,0|0,0,1]=3 10445 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100009991533_100000070051 [0,2,0,0,0,0|0,0,1]=3 10446 B12R0.1 CC=CCSCCNC(=O)OCC 62a_100000070051_200011445536 [0,2,0,0,0,0|0,0,2]=4 10447 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,2,0,0,0,0|1,0,1]=4 10448 B12R0.1 CCC#CCCOCC(=O)NCC 34a_100000036655_100000183381 [0,2,0,0,0,0|1,0,1]=4 10449 B12R0.1 CCC#CCCOCC(=O)NCC 7a_100000036655_100000183381 [0,2,0,0,0,0|1,0,1]=4 10450 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,2,0,0,0,0|0,0,1]=3 10451 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,2,0,0,0,0|0,0,1]=3 10452 B12R0.1 CCC#CCNCCC(=O)NCC 34a_100025743525_100009813939 [0,2,0,0,0,0|1,0,1]=4 10453 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [0,2,0,0,0,0|0,0,1]=3 10454 B12R0.1 CCC#CCSCCC(=O)NCC 62a_100000737597_100009813939 [0,2,0,0,0,0|1,0,1]=4 10455 B12R0.1 CCC#CCSCCC(=O)NCC 62a_100009813939_100000737597 [0,2,0,0,0,0|1,0,1]=4 10456 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [0,2,0,0,0,0|0,0,1]=3 10457 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [0,2,0,0,0,0|0,0,1]=3 10458 B12R0.1 CCC#CCSCOC(=O)OCC 62a_100009813939_100000075025 [0,2,0,0,0,0|0,0,2]=4 10459 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,2,0,0,0,0|1,0,1]=4 10460 B12R0.1 CCC/C=C/COCC(=O)NCC 34a_100016278788_100000183381 [0,2,0,0,0,0|1,0,1]=4 10461 B12R0.1 CCC/C=C/COCC(=O)NCC 7a_100016278788_100000183381 [0,2,0,0,0,0|1,0,1]=4 10462 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,2,0,0,0,0|0,0,1]=3 10463 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,2,0,0,0,0|0,0,1]=3 10464 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [0,2,0,0,0,0|1,0,1]=4 10465 B12R0.1 CCCC#CCOCC(=O)NCC 34a_100000034806_100000183381 [0,2,0,0,0,0|1,0,1]=4 10466 B12R0.1 CCCC#CCOCC(=O)NCC 7a_100000034806_100000183381 [0,2,0,0,0,0|1,0,1]=4 10467 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,2,0,0,0,0|0,0,1]=3 10468 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,2,0,0,0,0|0,0,1]=3 10469 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,2,0,0,0,0|1,0,0]=3 10470 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,2,0,0,0,0|1,0,0]=3 10471 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,2,0,0,0,0|1,0,0]=3 10472 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,2,0,0,0,0|1,0,0]=3 10473 B12R0.1 CCCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210303 [0,2,0,0,0,0|2,0,0]=4 10474 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,2,0,0,0,0|1,0,0]=3 10475 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,2,0,0,0,0|1,0,0]=3 10476 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,2,0,0,0,0|1,0,0]=3 10477 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,2,0,0,0,0|1,0,0]=3 10478 B12R0.1 CCCC(=O)CNCCOCCO 2230a_100000211614_100000747444 [0,2,0,0,0,0|2,0,0]=4 10479 B12R0.1 CCCC(=O)CNCCSCCO 2230a_100011219999_100000747444 [0,2,0,0,0,0|2,0,0]=4 10480 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,2,0,0,0,0|1,0,0]=3 10481 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,2,0,0,0,0|1,0,0]=3 10482 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,2,0,0,0,0|1,0,0]=3 10483 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,2,0,0,0,0|1,0,0]=3 10484 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,2,0,0,0,0|1,0,0]=3 10485 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,2,0,0,0,0|1,0,0]=3 10486 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [0,2,0,0,0,0|2,0,0]=4 10487 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [0,2,0,0,0,0|2,0,0]=4 10488 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [0,2,0,0,0,0|2,0,0]=4 10489 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [0,2,0,0,0,0|2,0,0]=4 10490 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,2,0,0,0,0|2,0,0]=4 10491 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100000747444_100000211819 [0,2,0,0,0,0|1,0,1]=4 10492 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100011219923_100000747444 [0,2,0,0,0,0|1,0,1]=4 10493 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [0,2,0,0,0,0|1,0,1]=4 10494 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [0,2,0,0,0,0|1,0,1]=4 10495 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,2,0,0,0,0|1,0,0]=3 10496 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,2,0,0,0,0|1,0,0]=3 10497 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,2,0,0,0,0|1,0,0]=3 10498 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,2,0,0,0,0|1,0,0]=3 10499 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,2,0,0,0,0|1,0,0]=3 10500 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,2,0,0,0,0|1,0,0]=3 10501 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,2,0,0,0,0|1,0,0]=3 10502 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,2,0,0,0,0|1,0,0]=3 10503 B12R0.1 CCCC(=O)CSCCOCCO 62a_100000747444_100011215305 [0,2,0,0,0,0|2,0,0]=4 10504 B12R0.1 CCCC(=O)CSCCOCCO 62a_100011215305_100000747444 [0,2,0,0,0,0|2,0,0]=4 10505 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000231047_100000747444 [0,2,0,0,0,0|2,0,0]=4 10506 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000747444_100000231047 [0,2,0,0,0,0|2,0,0]=4 10507 B12R0.1 CCCC(=O)NCCCCCC#N 11a_100000061152_100000211992 [0,2,0,0,0,0|1,0,1]=4 10508 B12R0.1 CCCC(=O)NCCCCCC#N 1626a_100000061152_100000211992 [0,2,0,0,0,0|1,0,1]=4 10509 B12R0.1 CCCC(=O)NCCCCCC#N 240690a_100000061152_100000211992 [0,2,0,0,0,0|1,0,1]=4 10510 B12R0.1 CCCC(=O)NCCCCCC#N 527a_100000061152_100000211992 [0,2,0,0,0,0|1,0,1]=4 10511 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,2,0,0,0,0|1,0,0]=3 10512 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,2,0,0,0,0|1,0,0]=3 10513 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 10514 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 10515 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 10516 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,2,0,0,0,0|1,0,0]=3 10517 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,2,0,0,0,0|2,0,0]=4 10518 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,2,0,0,0,0|2,0,0]=4 10519 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,2,0,0,0,0|2,0,0]=4 10520 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,2,0,0,0,0|2,0,0]=4 10521 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 10522 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 10523 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,2,0,0,0,0|2,0,0]=4 10524 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,2,0,0,0,0|2,0,0]=4 10525 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,2,0,0,0,0|2,0,0]=4 10526 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,2,0,0,0,0|2,0,0]=4 10527 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,2,0,0,0,0|2,0,0]=4 10528 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,2,0,0,0,0|2,0,0]=4 10529 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,2,0,0,0,0|2,0,0]=4 10530 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,2,0,0,0,0|2,0,0]=4 10531 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,2,0,0,0,0|2,0,0]=4 10532 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,2,0,0,0,0|2,0,0]=4 10533 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,2,0,0,0,0|2,0,0]=4 10534 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,2,0,0,0,0|2,0,0]=4 10535 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,2,0,0,0,0|2,0,0]=4 10536 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,2,0,0,0,0|2,0,0]=4 10537 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,2,0,0,0,0|2,0,0]=4 10538 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,2,0,0,0,0|2,0,0]=4 10539 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,2,0,0,0,0|2,0,0]=4 10540 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,2,0,0,0,0|2,0,0]=4 10541 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,2,0,0,0,0|2,0,0]=4 10542 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,2,0,0,0,0|2,0,0]=4 10543 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,2,0,0,0,0|1,0,0]=3 10544 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,2,0,0,0,0|2,0,0]=4 10545 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,2,0,0,0,0|2,0,0]=4 10546 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,2,0,0,0,0|1,0,0]=3 10547 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,2,0,0,0,0|1,0,0]=3 10548 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,2,0,0,0,0|2,0,0]=4 10549 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,2,0,0,0,0|1,0,0]=3 10550 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,2,0,0,0,0|2,0,0]=4 10551 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,2,0,0,0,0|2,0,0]=4 10552 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [0,2,0,0,0,0|2,0,0]=4 10553 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,2,0,0,0,0|1,0,1]=4 10554 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,2,0,0,0,0|1,0,0]=3 10555 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,2,0,0,0,0|2,0,0]=4 10556 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,2,0,0,0,0|2,0,0]=4 10557 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,2,0,0,0,0|1,0,0]=3 10558 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,2,0,0,0,0|1,0,0]=3 10559 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,2,0,0,0,0|2,0,0]=4 10560 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,2,0,0,0,0|1,0,0]=3 10561 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,2,0,0,0,0|1,0,0]=3 10562 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,2,0,0,0,0|2,0,0]=4 10563 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,2,0,0,0,0|2,0,0]=4 10564 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,2,0,0,0,0|2,0,0]=4 10565 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,2,0,0,0,0|2,0,0]=4 10566 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,2,0,0,0,0|2,0,0]=4 10567 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 10568 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 10569 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,2,0,0,0,0|1,0,0]=3 10570 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,2,0,0,0,0|2,0,0]=4 10571 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 10572 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,2,0,0,0,0|1,0,1]=4 10573 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10574 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10575 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10576 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,2,0,0,0,0|1,0,0]=3 10577 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,2,0,0,0,0|2,0,0]=4 10578 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,2,0,0,0,0|2,0,0]=4 10579 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,2,0,0,0,0|2,0,0]=4 10580 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,2,0,0,0,0|2,0,0]=4 10581 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,2,0,0,0,0|2,0,0]=4 10582 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,2,0,0,0,0|2,0,0]=4 10583 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,2,0,0,0,0|2,0,0]=4 10584 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,2,0,0,0,0|2,0,0]=4 10585 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,2,0,0,0,0|2,0,0]=4 10586 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 10587 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 10588 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 10589 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 10590 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,2,0,0,0,0|1,0,0]=3 10591 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,2,0,0,0,0|1,0,0]=3 10592 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,2,0,0,0,0|2,0,0]=4 10593 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,2,0,0,0,0|2,0,0]=4 10594 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,2,0,0,0,0|2,0,0]=4 10595 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,2,0,0,0,0|1,0,0]=3 10596 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,2,0,0,0,0|1,0,0]=3 10597 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,2,0,0,0,0|1,0,0]=3 10598 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,2,0,0,0,0|2,0,0]=4 10599 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,2,0,0,0,0|0,0,0]=2 10600 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,2,0,0,0,0|1,0,0]=3 10601 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,2,0,0,0,0|1,0,0]=3 10602 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,2,0,0,0,0|1,0,0]=3 10603 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,2,0,0,0,0|2,0,0]=4 10604 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,2,0,0,0,0|2,0,0]=4 10605 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,2,0,0,0,0|0,0,0]=2 10606 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,2,0,0,0,0|0,0,0]=2 10607 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,2,0,0,0,0|1,0,0]=3 10608 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,2,0,0,0,0|1,0,0]=3 10609 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,2,0,0,0,0|1,0,0]=3 10610 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,2,0,0,0,0|1,0,0]=3 10611 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,2,0,0,0,0|2,0,0]=4 10612 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,2,0,0,0,0|2,0,0]=4 10613 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,2,0,0,0,0|0,0,0]=2 10614 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,2,0,0,0,0|0,0,0]=2 10615 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,2,0,0,0,0|1,0,0]=3 10616 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,2,0,0,0,0|1,0,0]=3 10617 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,2,0,0,0,0|0,0,0]=2 10618 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,2,0,0,0,0|1,0,0]=3 10619 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,2,0,0,0,0|0,0,1]=3 10620 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,2,0,0,0,0|1,0,0]=3 10621 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,2,0,0,0,0|0,0,0]=2 10622 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,2,0,0,0,0|0,0,0]=2 10623 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,2,0,0,0,0|1,0,0]=3 10624 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,2,0,0,0,0|1,0,0]=3 10625 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,2,0,0,0,0|1,0,0]=3 10626 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,2,0,0,0,0|0,0,0]=2 10627 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,2,0,0,0,0|0,0,0]=2 10628 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,2,0,0,0,0|1,0,0]=3 10629 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,2,0,0,0,0|0,0,0]=2 10630 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,2,0,0,0,0|0,0,1]=3 10631 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,2,0,0,0,0|0,0,1]=3 10632 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,2,0,0,0,0|0,0,0]=2 10633 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,2,0,0,0,0|0,0,0]=2 10634 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,2,0,0,0,0|0,0,0]=2 10635 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [0,2,0,0,0,0|0,0,2]=4 10636 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,2,0,0,0,0|0,0,1]=3 10637 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,2,0,0,0,0|0,0,1]=3 10638 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,2,0,0,0,0|0,0,0]=2 10639 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,2,0,0,0,0|0,0,0]=2 10640 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,2,0,0,0,0|0,0,0]=2 10641 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,2,0,0,0,0|0,0,0]=2 10642 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,2,0,0,0,0|0,0,0]=2 10643 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,2,0,0,0,0|1,0,0]=3 10644 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,2,0,0,0,0|1,0,0]=3 10645 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,2,0,0,0,0|1,0,0]=3 10646 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,2,0,0,0,0|1,0,0]=3 10647 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,2,0,0,0,0|1,0,0]=3 10648 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,2,0,0,0,0|2,0,0]=4 10649 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,2,0,0,0,0|2,0,0]=4 10650 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,2,0,0,0,0|0,0,0]=2 10651 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,2,0,0,0,0|0,0,0]=2 10652 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,2,0,0,0,0|0,0,1]=3 10653 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,2,0,0,0,0|0,0,1]=3 10654 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,2,0,0,0,0|0,0,0]=2 10655 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,2,0,0,0,0|0,0,0]=2 10656 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 10657 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 10658 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 10659 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,2,0,0,0,0|1,0,0]=3 10660 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,2,0,0,0,0|2,0,0]=4 10661 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 10662 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 10663 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 10664 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,2,0,0,0,0|2,0,0]=4 10665 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 10666 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 10667 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 10668 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,2,0,0,0,0|2,0,0]=4 10669 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,2,0,0,0,0|1,0,0]=3 10670 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,2,0,0,0,0|1,0,0]=3 10671 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,2,0,0,0,0|1,0,0]=3 10672 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,2,0,0,0,0|1,0,0]=3 10673 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,2,0,0,0,0|1,0,0]=3 10674 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,2,0,0,0,0|1,0,0]=3 10675 B12R0.1 CCCCSCCNC(=O)NNC 273464a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 10676 B12R0.1 CCCCSCCNC(=O)NNC 512a_100016993582_100025743550 [0,2,0,0,0,0|2,0,0]=4 10677 B12R0.1 CCCCSCCNC(=O)NNC 512a_100025743550_100016993582 [0,2,0,0,0,0|2,0,0]=4 10678 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,2,0,0,0,0|0,0,0]=2 10679 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,2,0,0,0,0|0,0,0]=2 10680 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 10681 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 10682 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,2,0,0,0,0|1,0,0]=3 10683 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,2,0,0,0,0|2,0,0]=4 10684 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 10685 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 10686 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,2,0,0,0,0|2,0,0]=4 10687 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 10688 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 10689 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,2,0,0,0,0|2,0,0]=4 10690 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,2,0,0,0,0|1,0,0]=3 10691 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,2,0,0,0,0|1,0,0]=3 10692 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,2,0,0,0,0|1,0,0]=3 10693 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,2,0,0,0,0|1,0,0]=3 10694 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,2,0,0,0,0|1,0,0]=3 10695 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,2,0,0,0,0|1,0,0]=3 10696 B12R0.1 CCCOCCCNC(=O)NNC 273464a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 10697 B12R0.1 CCCOCCCNC(=O)NNC 512a_100011217757_100016993582 [0,2,0,0,0,0|2,0,0]=4 10698 B12R0.1 CCCOCCCNC(=O)NNC 512a_100016993582_100011217757 [0,2,0,0,0,0|2,0,0]=4 10699 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,2,0,0,0,0|1,0,0]=3 10700 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,2,0,0,0,0|1,0,0]=3 10701 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,2,0,0,0,0|1,0,0]=3 10702 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,2,0,0,0,0|1,0,0]=3 10703 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,2,0,0,0,0|2,0,0]=4 10704 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,2,0,0,0,0|2,0,0]=4 10705 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,2,0,0,0,0|0,0,0]=2 10706 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,2,0,0,0,0|0,0,0]=2 10707 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,2,0,0,0,0|1,0,0]=3 10708 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,2,0,0,0,0|1,0,0]=3 10709 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,2,0,0,0,0|1,0,0]=3 10710 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 10711 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,2,0,0,0,0|2,0,0]=4 10712 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,2,0,0,0,0|0,0,0]=2 10713 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,2,0,0,0,0|0,0,0]=2 10714 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,2,0,0,0,0|0,0,0]=2 10715 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,2,0,0,0,0|1,0,0]=3 10716 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,2,0,0,0,0|1,0,0]=3 10717 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,2,0,0,0,0|1,0,0]=3 10718 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,2,0,0,0,0|1,0,0]=3 10719 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,2,0,0,0,0|2,0,0]=4 10720 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,2,0,0,0,0|2,0,0]=4 10721 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,2,0,0,0,0|0,0,0]=2 10722 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,2,0,0,0,0|0,0,0]=2 10723 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,2,0,0,0,0|0,0,0]=2 10724 B12R0.1 CCCSCC=NNC(=O)OCC 62a_100000210303_100015372823 [0,2,0,0,0,0|1,0,1]=4 10725 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,2,0,0,0,0|0,0,0]=2 10726 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,2,0,0,0,0|0,0,0]=2 10727 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,2,0,0,0,0|1,0,0]=3 10728 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,2,0,0,0,0|1,0,0]=3 10729 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,2,0,0,0,0|2,0,0]=4 10730 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,2,0,0,0,0|0,0,0]=2 10731 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,2,0,0,0,0|1,0,0]=3 10732 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,2,0,0,0,0|1,0,0]=3 10733 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,2,0,0,0,0|1,0,0]=3 10734 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 10735 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,2,0,0,0,0|2,0,0]=4 10736 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,2,0,0,0,0|0,0,0]=2 10737 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,2,0,0,0,0|0,0,0]=2 10738 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,2,0,0,0,0|0,0,0]=2 10739 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,2,0,0,0,0|0,0,0]=2 10740 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,2,0,0,0,0|1,0,0]=3 10741 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 11a_100015525214_100009870042 [0,2,0,0,0,0|2,0,0]=4 10742 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 240690a_100015525214_100009870042 [0,2,0,0,0,0|2,0,0]=4 10743 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 527a_100015525214_100009870042 [0,2,0,0,0,0|2,0,0]=4 10744 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [0,2,0,0,0,0|1,0,0]=3 10745 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,2,0,0,0,0|1,0,0]=3 10746 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,2,0,0,0,0|1,0,0]=3 10747 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [0,2,0,0,0,0|1,0,0]=3 10748 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [0,2,0,0,0,0|1,0,0]=3 10749 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [0,2,0,0,0,0|1,0,0]=3 10750 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [0,2,0,0,0,0|1,0,0]=3 10751 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [0,2,0,0,0,0|1,0,0]=3 10752 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [0,2,0,0,0,0|1,0,0]=3 10753 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,2,0,0,0,0|1,0,0]=3 10754 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,2,0,0,0,0|1,0,0]=3 10755 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,2,0,0,0,0|1,0,0]=3 10756 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,2,0,0,0,0|1,0,0]=3 10757 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,2,0,0,0,0|1,0,0]=3 10758 B12R0.1 CCNC(=O)CCSCCCC#N 62a_100000687738_100000737597 [0,2,0,0,0,0|1,0,1]=4 10759 B12R0.1 CCNC(=O)CCSCCCC#N 62a_100000737597_100000687738 [0,2,0,0,0,0|1,0,1]=4 10760 B12R0.1 CCNC(=O)CCSCCCC=O 62a_100000737597_200011292268 [0,2,0,0,0,0|1,0,1]=4 10761 B12R0.1 CCNC(=O)CCSCCCC=O 62a_200011292268_100000737597 [0,2,0,0,0,0|1,0,1]=4 10762 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [0,2,0,0,0,0|1,0,0]=3 10763 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [0,2,0,0,0,0|1,0,0]=3 10764 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,2,0,0,0,0|1,0,0]=3 10765 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,2,0,0,0,0|1,0,0]=3 10766 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [0,2,0,0,0,0|1,0,0]=3 10767 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [0,2,0,0,0,0|1,0,0]=3 10768 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [0,2,0,0,0,0|1,0,0]=3 10769 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [0,2,0,0,0,0|1,0,0]=3 10770 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [0,2,0,0,0,0|1,0,0]=3 10771 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [0,2,0,0,0,0|1,0,0]=3 10772 B12R0.1 CCNC(=O)CNCCCCC#N 2230a_100016988866_100000211819 [0,2,0,0,0,0|1,0,1]=4 10773 B12R0.1 CCNC(=O)CNCCCCC=O 2230a_100016988866_100000139335 [0,2,0,0,0,0|1,0,1]=4 10774 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,2,0,0,0,0|1,0,0]=3 10775 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,2,0,0,0,0|1,0,0]=3 10776 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,2,0,0,0,0|1,0,0]=3 10777 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,2,0,0,0,0|1,0,0]=3 10778 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,2,0,0,0,0|1,0,0]=3 10779 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,2,0,0,0,0|1,0,0]=3 10780 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,2,0,0,0,0|1,0,0]=3 10781 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,2,0,0,0,0|1,0,0]=3 10782 B12R0.1 CCNC(=O)CNCCOCCO 2230a_100000211614_100000183381 [0,2,0,0,0,0|2,0,0]=4 10783 B12R0.1 CCNC(=O)CNCCOCCO 2230a_100016988866_100011215305 [0,2,0,0,0,0|2,0,0]=4 10784 B12R0.1 CCNC(=O)CNCCOCCO 34a_100000211614_100000183381 [0,2,0,0,0,0|2,0,0]=4 10785 B12R0.1 CCNC(=O)CNCCSCCO 2230a_100011219999_100000183381 [0,2,0,0,0,0|2,0,0]=4 10786 B12R0.1 CCNC(=O)CNCOCCOC 2230a_100016988866_100000231047 [0,2,0,0,0,0|2,0,0]=4 10787 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,2,0,0,0,0|1,0,0]=3 10788 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,2,0,0,0,0|1,0,0]=3 10789 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,2,0,0,0,0|1,0,0]=3 10790 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,2,0,0,0,0|1,0,0]=3 10791 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,2,0,0,0,0|1,0,0]=3 10792 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,2,0,0,0,0|1,0,0]=3 10793 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,2,0,0,0,0|1,0,0]=3 10794 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,2,0,0,0,0|1,0,0]=3 10795 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,2,0,0,0,0|1,0,0]=3 10796 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,2,0,0,0,0|1,0,0]=3 10797 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,2,0,0,0,0|1,0,0]=3 10798 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,2,0,0,0,0|1,0,0]=3 10799 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,2,0,0,0,0|1,0,0]=3 10800 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,2,0,0,0,0|1,0,0]=3 10801 B12R0.1 CCNC(=O)COCCOCCBr 34a_100000692535_100000183381 [0,2,0,0,0,0|2,0,0]=4 10802 B12R0.1 CCNC(=O)COCCOCCBr 7a_100000692535_100000183381 [0,2,0,0,0,0|2,0,0]=4 10803 B12R0.1 CCNC(=O)COCCOCCCl 34a_100011215305_100000183381 [0,2,0,0,0,0|2,0,0]=4 10804 B12R0.1 CCNC(=O)COCCOCCCl 7a_100011215305_100000183381 [0,2,0,0,0,0|2,0,0]=4 10805 B12R0.1 CCNC(=O)COCCOCCF 34a_200015357709_100000183381 [0,2,0,0,0,0|2,0,0]=4 10806 B12R0.1 CCNC(=O)COCCOCCF 7a_200015357709_100000183381 [0,2,0,0,0,0|2,0,0]=4 10807 B12R0.1 CCNC(=O)COCCOCCI 34a_100012149058_100000183381 [0,2,0,0,0,0|2,0,0]=4 10808 B12R0.1 CCNC(=O)COCCOCCI 7a_100012149058_100000183381 [0,2,0,0,0,0|2,0,0]=4 10809 B12R0.1 CCNC(=O)COCCOCCN 34a_100000211614_100000183381 [0,2,0,0,0,0|2,0,0]=4 10810 B12R0.1 CCNC(=O)COCCOCCO 240690a_100015525214_106645077154 [0,2,0,0,0,0|2,0,0]=4 10811 B12R0.1 CCNC(=O)CSCCCCC#N 62a_100000183381_100000211819 [0,2,0,0,0,0|1,0,1]=4 10812 B12R0.1 CCNC(=O)CSCCCCC#N 62a_100011219923_100000183381 [0,2,0,0,0,0|1,0,1]=4 10813 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000139335_100000183381 [0,2,0,0,0,0|1,0,1]=4 10814 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000183381_100000139335 [0,2,0,0,0,0|1,0,1]=4 10815 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,2,0,0,0,0|1,0,0]=3 10816 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,2,0,0,0,0|1,0,0]=3 10817 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,2,0,0,0,0|1,0,0]=3 10818 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,2,0,0,0,0|1,0,0]=3 10819 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,2,0,0,0,0|1,0,0]=3 10820 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,2,0,0,0,0|1,0,0]=3 10821 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,2,0,0,0,0|1,0,0]=3 10822 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,2,0,0,0,0|1,0,0]=3 10823 B12R0.1 CCNC(=O)CSCCOCCO 62a_100000183381_100011215305 [0,2,0,0,0,0|2,0,0]=4 10824 B12R0.1 CCNC(=O)CSCCOCCO 62a_100011215305_100000183381 [0,2,0,0,0,0|2,0,0]=4 10825 B12R0.1 CCNC(=O)CSCOCCOC 62a_100000183381_100000231047 [0,2,0,0,0,0|2,0,0]=4 10826 B12R0.1 CCNC(=O)CSCOCCOC 62a_100000231047_100000183381 [0,2,0,0,0,0|2,0,0]=4 10827 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100000061152_100015525214 [0,2,0,0,0,0|1,0,1]=4 10828 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100015525214_100000061152 [0,2,0,0,0,0|1,0,1]=4 10829 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100000061152_100015525214 [0,2,0,0,0,0|1,0,1]=4 10830 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100015525214_100000061152 [0,2,0,0,0,0|1,0,1]=4 10831 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100000061152_100015525214 [0,2,0,0,0,0|1,0,1]=4 10832 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100015525214_100000061152 [0,2,0,0,0,0|1,0,1]=4 10833 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,2,0,0,0,0|1,0,0]=3 10834 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,2,0,0,0,0|1,0,0]=3 10835 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,2,0,0,0,0|1,0,0]=3 10836 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,2,0,0,0,0|1,0,0]=3 10837 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,2,0,0,0,0|1,0,0]=3 10838 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,2,0,0,0,0|1,0,0]=3 10839 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,2,0,0,0,0|1,0,0]=3 10840 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,2,0,0,0,0|1,0,0]=3 10841 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,2,0,0,0,0|1,0,0]=3 10842 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,2,0,0,0,0|1,0,0]=3 10843 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,2,0,0,0,0|1,0,0]=3 10844 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 10845 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100015525214_100000745349 [0,2,0,0,0,0|2,0,0]=4 10846 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 10847 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100015525214_100000745349 [0,2,0,0,0,0|2,0,0]=4 10848 B12R0.1 CCNC(=O)NCCOCCOC 512a_100000745349_100015525214 [0,2,0,0,0,0|2,0,0]=4 10849 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,2,0,0,0,0|0,0,0]=2 10850 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,2,0,0,0,0|0,0,0]=2 10851 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [0,2,0,0,0,0|0,0,2]=4 10852 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [0,2,0,0,0,0|0,0,2]=4 10853 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [0,2,0,0,0,0|0,0,2]=4 10854 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [0,2,0,0,0,0|0,0,2]=4 10855 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [0,2,0,0,0,0|0,0,2]=4 10856 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [0,2,0,0,0,0|0,0,2]=4 10857 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [0,2,0,0,0,0|0,0,2]=4 10858 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [0,2,0,0,0,0|0,0,2]=4 10859 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [0,2,0,0,0,0|0,0,2]=4 10860 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [0,2,0,0,0,0|0,0,2]=4 10861 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [0,2,0,0,0,0|0,0,2]=4 10862 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [0,2,0,0,0,0|0,0,2]=4 10863 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [0,2,0,0,0,0|0,0,2]=4 10864 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [0,2,0,0,0,0|0,0,2]=4 10865 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [0,2,0,0,0,0|0,0,2]=4 10866 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [0,2,0,0,0,0|0,0,2]=4 10867 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [0,2,0,0,0,0|0,0,2]=4 10868 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [0,2,0,0,0,0|0,0,2]=4 10869 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [0,2,0,0,0,0|0,0,2]=4 10870 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,2,0,0,0,0|0,0,0]=2 10871 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,2,0,0,0,0|0,0,0]=2 10872 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,2,0,0,0,0|0,0,0]=2 10873 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,2,0,0,0,0|0,0,0]=2 10874 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,2,0,0,0,0|0,0,0]=2 10875 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,2,0,0,0,0|0,0,0]=2 10876 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,2,0,0,0,0|0,0,0]=2 10877 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,2,0,0,0,0|0,0,0]=2 10878 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,2,0,0,0,0|0,0,0]=2 10879 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,2,0,0,0,0|0,0,0]=2 10880 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,2,0,0,0,0|0,0,0]=2 10881 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,2,0,0,0,0|0,0,0]=2 10882 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,2,0,0,0,0|0,0,0]=2 10883 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,2,0,0,0,0|0,0,0]=2 10884 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,2,0,0,0,0|0,0,0]=2 10885 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,2,0,0,0,0|0,0,0]=2 10886 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100000750268_100011215382 [0,2,0,0,0,0|0,0,1]=3 10887 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100011215382_100000750268 [0,2,0,0,0,0|0,0,1]=3 10888 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,2,0,0,0,0|0,0,1]=3 10889 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,2,0,0,0,0|0,0,1]=3 10890 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,2,0,0,0,0|0,0,0]=2 10891 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,2,0,0,0,0|0,0,0]=2 10892 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,2,0,0,0,0|0,0,0]=2 10893 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,2,0,0,0,0|0,0,0]=2 10894 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,2,0,0,0,0|0,0,0]=2 10895 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,2,0,0,0,0|0,0,0]=2 10896 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,2,0,0,0,0|0,0,0]=2 10897 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,2,0,0,0,0|0,0,0]=2 10898 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,2,0,0,0,0|0,0,0]=2 10899 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,2,0,0,0,0|0,0,0]=2 10900 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,2,0,0,0,0|0,0,0]=2 10901 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,2,0,0,0,0|0,0,0]=2 10902 B12R0.1 CCOC(=O)CCCOCCC#N 7a_100012001163_100000184422 [0,2,0,0,0,0|0,0,1]=3 10903 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,2,0,0,0,0|0,0,0]=2 10904 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,2,0,0,0,0|0,0,0]=2 10905 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,2,0,0,0,0|0,0,0]=2 10906 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,2,0,0,0,0|0,0,0]=2 10907 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,2,0,0,0,0|0,0,0]=2 10908 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,2,0,0,0,0|0,0,0]=2 10909 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,2,0,0,0,0|0,0,0]=2 10910 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,2,0,0,0,0|0,0,0]=2 10911 B12R0.1 CCOC(=O)CCCOCCON 34a_100000700252_100009991533 [0,2,0,0,0,0|1,0,0]=3 10912 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,2,0,0,0,0|0,0,0]=2 10913 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,2,0,0,0,0|0,0,0]=2 10914 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,2,0,0,0,0|0,0,0]=2 10915 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100009991533_100011215226 [0,2,0,0,0,0|0,0,1]=3 10916 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100011215226_100009991533 [0,2,0,0,0,0|0,0,1]=3 10917 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,2,0,0,0,0|0,0,0]=2 10918 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,2,0,0,0,0|0,0,0]=2 10919 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,2,0,0,0,0|0,0,0]=2 10920 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,2,0,0,0,0|0,0,0]=2 10921 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,2,0,0,0,0|0,0,0]=2 10922 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,2,0,0,0,0|0,0,0]=2 10923 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,2,0,0,0,0|0,0,0]=2 10924 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,2,0,0,0,0|0,0,0]=2 10925 B12R0.1 CCOC(=O)CCCSCSC#N 62a_100000211825_100009991533 [0,2,0,0,0,0|1,0,1]=4 10926 B12R0.1 CCOC(=O)CCCSCSC#N 62a_100009991533_100000211825 [0,2,0,0,0,0|1,0,1]=4 10927 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,2,0,0,0,0|0,0,0]=2 10928 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,2,0,0,0,0|0,0,0]=2 10929 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,2,0,0,0,0|0,0,0]=2 10930 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,2,0,0,0,0|0,0,0]=2 10931 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,2,0,0,0,0|0,0,0]=2 10932 B12R0.1 CCOC(=O)CCOCC#CCCl 34a_200000047223_100000765890 [0,2,0,0,0,0|0,0,2]=4 10933 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,2,0,0,0,0|0,0,0]=2 10934 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,2,0,0,0,0|0,0,0]=2 10935 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,2,0,0,0,0|0,0,0]=2 10936 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,2,0,0,0,0|0,0,0]=2 10937 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,2,0,0,0,0|0,0,0]=2 10938 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,2,0,0,0,0|0,0,0]=2 10939 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,2,0,0,0,0|0,0,0]=2 10940 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,2,0,0,0,0|0,0,0]=2 10941 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,2,0,0,0,0|0,0,0]=2 10942 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,2,0,0,0,0|0,0,0]=2 10943 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,2,0,0,0,0|0,0,0]=2 10944 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,2,0,0,0,0|0,0,0]=2 10945 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,2,0,0,0,0|0,0,0]=2 10946 B12R0.1 CCOC(=O)CCSCC#CCO 62a_100000765890_200000047223 [0,2,0,0,0,0|0,0,2]=4 10947 B12R0.1 CCOC(=O)CCSCC#CCO 62a_200000047223_100000765890 [0,2,0,0,0,0|0,0,2]=4 10948 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [0,2,0,0,0,0|0,0,1]=3 10949 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [0,2,0,0,0,0|0,0,1]=3 10950 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,2,0,0,0,0|0,0,1]=3 10951 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,2,0,0,0,0|0,0,1]=3 10952 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,2,0,0,0,0|0,0,0]=2 10953 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,2,0,0,0,0|0,0,0]=2 10954 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,2,0,0,0,0|0,0,0]=2 10955 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,2,0,0,0,0|0,0,0]=2 10956 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,2,0,0,0,0|0,0,0]=2 10957 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,2,0,0,0,0|0,0,0]=2 10958 B12R0.1 CCOC(=O)CCSCCSC#N 62a_100000034367_100000765890 [0,2,0,0,0,0|1,0,1]=4 10959 B12R0.1 CCOC(=O)CCSCCSC#N 62a_100000765890_100000034367 [0,2,0,0,0,0|1,0,1]=4 10960 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,2,0,0,0,0|0,0,0]=2 10961 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,2,0,0,0,0|0,0,0]=2 10962 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,2,0,0,0,0|0,0,0]=2 10963 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,2,0,0,0,0|0,0,0]=2 10964 B12R0.1 CCOC(=O)CNCCCN=[N+]=[N-] 2230a_100000744732_100000188475 [0,2,0,0,0,0|2,0,0]=4 10965 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [0,2,0,0,0,0|1,0,0]=3 10966 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [0,2,0,0,0,0|1,0,0]=3 10967 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [0,2,0,0,0,0|1,0,0]=3 10968 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,2,0,0,0,0|0,0,0]=2 10969 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,2,0,0,0,0|0,0,0]=2 10970 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,2,0,0,0,0|0,0,0]=2 10971 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,2,0,0,0,0|0,0,0]=2 10972 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,2,0,0,0,0|0,0,0]=2 10973 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,2,0,0,0,0|0,0,0]=2 10974 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,2,0,0,0,0|0,0,0]=2 10975 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,2,0,0,0,0|0,0,0]=2 10976 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,2,0,0,0,0|0,0,0]=2 10977 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,2,0,0,0,0|0,0,0]=2 10978 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,2,0,0,0,0|0,0,0]=2 10979 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,2,0,0,0,0|0,0,0]=2 10980 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,2,0,0,0,0|0,0,0]=2 10981 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,2,0,0,0,0|0,0,0]=2 10982 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,2,0,0,0,0|1,0,0]=3 10983 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,2,0,0,0,0|1,0,0]=3 10984 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,2,0,0,0,0|1,0,0]=3 10985 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,2,0,0,0,0|1,0,0]=3 10986 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,2,0,0,0,0|1,0,0]=3 10987 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,2,0,0,0,0|1,0,0]=3 10988 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,2,0,0,0,0|1,0,0]=3 10989 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,2,0,0,0,0|1,0,0]=3 10990 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,2,0,0,0,0|1,0,0]=3 10991 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,2,0,0,0,0|1,0,0]=3 10992 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,2,0,0,0,0|1,0,0]=3 10993 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,2,0,0,0,0|1,0,0]=3 10994 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,2,0,0,0,0|1,0,0]=3 10995 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,2,0,0,0,0|1,0,0]=3 10996 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,2,0,0,0,0|1,0,0]=3 10997 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,2,0,0,0,0|1,0,0]=3 10998 B12R0.1 CCOC(=O)COCCSCC#N 62a_100000088970_100011215382 [0,2,0,0,0,0|1,0,1]=4 10999 B12R0.1 CCOC(=O)COCCSCC#N 62a_100011215382_100000088970 [0,2,0,0,0,0|1,0,1]=4 11000 B12R0.1 CCOC(=O)COCCSCC=O 62a_100000088970_200015260668 [0,2,0,0,0,0|1,0,1]=4 11001 B12R0.1 CCOC(=O)COCCSCC=O 62a_200015260668_100000088970 [0,2,0,0,0,0|1,0,1]=4 11002 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,2,0,0,0,0|1,0,0]=3 11003 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,2,0,0,0,0|1,0,0]=3 11004 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,2,0,0,0,0|1,0,0]=3 11005 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,2,0,0,0,0|1,0,0]=3 11006 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,2,0,0,0,0|1,0,0]=3 11007 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,2,0,0,0,0|1,0,0]=3 11008 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,2,0,0,0,0|1,0,0]=3 11009 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,2,0,0,0,0|1,0,0]=3 11010 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [0,2,0,0,0,0|0,0,1]=3 11011 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [0,2,0,0,0,0|0,0,1]=3 11012 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,2,0,0,0,0|0,0,1]=3 11013 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,2,0,0,0,0|0,0,1]=3 11014 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,2,0,0,0,0|0,0,0]=2 11015 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,2,0,0,0,0|0,0,0]=2 11016 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,2,0,0,0,0|0,0,0]=2 11017 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,2,0,0,0,0|0,0,0]=2 11018 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,2,0,0,0,0|0,0,0]=2 11019 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,2,0,0,0,0|0,0,0]=2 11020 B12R0.1 CCOC(=O)CSCCOCC#N 62a_100000188475_200000047693 [0,2,0,0,0,0|1,0,1]=4 11021 B12R0.1 CCOC(=O)CSCCOCC#N 62a_200000047693_100000188475 [0,2,0,0,0,0|1,0,1]=4 11022 B12R0.1 CCOC(=O)CSCCOCC#N 7a_200000230590_100011215382 [0,2,0,0,0,0|1,0,1]=4 11023 B12R0.1 CCOC(=O)CSCCOCC=O 7a_200000230590_200015260668 [0,2,0,0,0,0|1,0,1]=4 11024 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [0,2,0,0,0,0|1,0,0]=3 11025 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [0,2,0,0,0,0|1,0,0]=3 11026 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [0,2,0,0,0,0|1,0,0]=3 11027 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [0,2,0,0,0,0|1,0,0]=3 11028 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [0,2,0,0,0,0|1,0,0]=3 11029 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [0,2,0,0,0,0|1,0,0]=3 11030 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,2,0,0,0,0|1,0,0]=3 11031 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,2,0,0,0,0|1,0,0]=3 11032 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,2,0,0,0,0|1,0,0]=3 11033 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,2,0,0,0,0|1,0,0]=3 11034 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,2,0,0,0,0|1,0,0]=3 11035 B12R0.1 CCOC(=O)NCCSCCC#N 62a_100011215226_200011445536 [0,2,0,0,0,0|1,0,1]=4 11036 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,2,0,0,0,0|1,0,0]=3 11037 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,2,0,0,0,0|1,0,0]=3 11038 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,2,0,0,0,0|1,0,0]=3 11039 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,2,0,0,0,0|1,0,0]=3 11040 B12R0.1 CCOC(=O)OCSCCCC#N 62a_100000687738_100000075025 [0,2,0,0,0,0|1,0,1]=4 11041 B12R0.1 CCOC(=O)OCSCCCC=O 62a_200011292268_100000075025 [0,2,0,0,0,0|1,0,1]=4 11042 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,2,0,0,0,0|1,0,0]=3 11043 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,2,0,0,0,0|1,0,0]=3 11044 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,2,0,0,0,0|1,0,0]=3 11045 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,2,0,0,0,0|1,0,0]=3 11046 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,2,0,0,0,0|0,0,0]=2 11047 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,2,0,0,0,0|0,0,0]=2 11048 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,2,0,0,0,0|2,0,0]=4 11049 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,2,0,0,0,0|2,0,0]=4 11050 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,2,0,0,0,0|0,0,0]=2 11051 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,2,0,0,0,0|0,0,0]=2 11052 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 11053 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,2,0,0,0,0|2,0,0]=4 11054 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,2,0,0,0,0|0,0,0]=2 11055 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,2,0,0,0,0|0,0,0]=2 11056 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,2,0,0,0,0|0,0,0]=2 11057 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,2,0,0,0,0|2,0,0]=4 11058 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,2,0,0,0,0|2,0,0]=4 11059 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,2,0,0,0,0|0,0,0]=2 11060 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,2,0,0,0,0|0,0,0]=2 11061 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,2,0,0,0,0|0,0,0]=2 11062 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,2,0,0,0,0|0,0,0]=2 11063 B12R0.1 CCOCCNN=CC(=O)OCC 4a_100000732670_100000742314 [0,2,0,0,0,0|1,0,1]=4 11064 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,2,0,0,0,0|2,0,0]=4 11065 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,2,0,0,0,0|2,0,0]=4 11066 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [0,2,0,0,0,0|2,0,0]=4 11067 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,2,0,0,0,0|0,0,0]=2 11068 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,2,0,0,0,0|0,0,0]=2 11069 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,2,0,0,0,0|0,0,0]=2 11070 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,2,0,0,0,0|0,0,0]=2 11071 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,2,0,0,0,0|1,0,0]=3 11072 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [0,2,0,0,0,0|0,0,2]=4 11073 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [0,2,0,0,0,0|0,0,2]=4 11074 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,2,0,0,0,0|0,0,0]=2 11075 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,2,0,0,0,0|0,0,0]=2 11076 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,2,0,0,0,0|1,0,0]=3 11077 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 11078 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,2,0,0,0,0|2,0,0]=4 11079 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,2,0,0,0,0|2,0,0]=4 11080 B12R0.1 CNNC(=O)NCCCCCCO 273464a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 11081 B12R0.1 CNNC(=O)NCCCCCCO 512a_100000686447_100016993582 [0,2,0,0,0,0|2,0,0]=4 11082 B12R0.1 CNNC(=O)NCCCCCCO 512a_100016993582_100000686447 [0,2,0,0,0,0|2,0,0]=4 11083 B12R0.1 CNNC(=O)NCCCCCOC 273464a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 11084 B12R0.1 CNNC(=O)NCCCCCOC 512a_100000747528_100016993582 [0,2,0,0,0,0|2,0,0]=4 11085 B12R0.1 CNNC(=O)NCCCCCOC 512a_100016993582_100000747528 [0,2,0,0,0,0|2,0,0]=4 11086 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,2,0,0,0,0|2,0,0]=4 11087 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,2,0,0,0,0|2,0,0]=4 11088 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 11089 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,2,0,0,0,0|2,0,0]=4 11090 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,2,0,0,0,0|2,0,0]=4 11091 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,2,0,0,0,0|2,0,0]=4 11092 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,2,0,0,0,0|2,0,0]=4 11093 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,2,0,0,0,0|2,0,0]=4 11094 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11095 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11096 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11097 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,2,0,0,0,0|2,0,0]=4 11098 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11099 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11100 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11101 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,2,0,0,0,0|2,0,0]=4 11102 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,2,0,0,0,0|2,0,0]=4 11103 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,2,0,0,0,0|2,0,0]=4 11104 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,2,0,0,0,0|2,0,0]=4 11105 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,2,0,0,0,0|2,0,0]=4 11106 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,2,0,0,0,0|2,0,0]=4 11107 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,2,0,0,0,0|2,0,0]=4 11108 B12R0.1 CSCC(=O)CCCCCCC#N 1458a_100000184570_100009813337 [0,2,0,0,0,0|2,0,0]=4 11109 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,2,0,0,0,0|2,0,0]=4 11110 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,2,0,0,0,0|2,0,0]=4 11111 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,2,0,0,0,0|2,0,0]=4 11112 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 11113 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,2,0,0,0,0|2,0,0]=4 11114 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,2,0,0,0,0|2,0,0]=4 11115 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 11116 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,2,0,0,0,0|2,0,0]=4 11117 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,2,0,0,0,0|2,0,0]=4 11118 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,2,0,0,0,0|2,0,0]=4 11119 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,2,0,0,0,0|2,0,0]=4 11120 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 11121 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,2,0,0,0,0|2,0,0]=4 11122 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 11123 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,2,0,0,0,0|2,0,0]=4 11124 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 11125 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 11126 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 11127 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,2,0,0,0,0|2,0,0]=4 11128 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,2,0,0,0,0|2,0,0]=4 11129 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,2,0,0,0,0|2,0,0]=4 11130 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,2,0,0,0,0|2,0,0]=4 11131 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,2,0,0,0,0|2,0,0]=4 11132 B12R0.49 C#CCCCCCC(=O)C(C)CC 1458a_100000694772_100000758301 [0,2,0,0,0,0|1,0,1]=4 11133 B12R0.49 C#CCCCCCC(=O)C(C)CC 1458a_100011192722_100012094781 [0,2,0,0,0,0|1,0,1]=4 11134 B12R0.49 C#CCCCCCC(=O)C(O)CC 1458a_100011196387_100012094781 [0,2,0,0,0,0|1,0,1]=4 11135 B12R0.49 C#CCCCCCC(=O)N(C)CC 11a_100000225621_100000694772 [0,2,0,0,0,0|1,0,1]=4 11136 B12R0.49 C#CCCCCCC(=O)N(C)CC 1626a_100000225621_100000694772 [0,2,0,0,0,0|1,0,1]=4 11137 B12R0.49 C#CCCCCCC(=O)N(C)CC 240690a_100000225621_100000694772 [0,2,0,0,0,0|1,0,1]=4 11138 B12R0.49 C#CCCCCCC(=O)N(C)CC 527a_100000225621_100000694772 [0,2,0,0,0,0|1,0,1]=4 11139 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,2,0,0,0,0|1,0,1]=4 11140 B12R0.49 C/C=C(\C)/C(=O)CCCCCCF 1458a_100020587367_100015922095 [0,2,0,0,0,0|1,0,1]=4 11141 B12R0.49 C/C=C(\C)/C(=O)CCCCCCO 1458a_100020587367_100000766143 [0,2,0,0,0,0|1,0,1]=4 11142 B12R0.49 C/C=C(\C)/C(=O)CCOCCCC 1458a_100020587367_100000743108 [0,2,0,0,0,0|1,0,1]=4 11143 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 11a_100000210581_100020587367 [0,2,0,0,0,0|1,0,1]=4 11144 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 1626a_100000210581_100020587367 [0,2,0,0,0,0|1,0,1]=4 11145 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011192722_100000700193 [0,2,0,0,0,0|1,0,1]=4 11146 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011934241_100000758301 [0,2,0,0,0,0|1,0,1]=4 11147 B12R0.49 C=CCCCCCC(=O)C(O)CC 1458a_100011196387_100000700193 [0,2,0,0,0,0|1,0,1]=4 11148 B12R0.49 C=CCCCCCC(=O)N(C)CC 11a_100000225621_100011934241 [0,2,0,0,0,0|1,0,1]=4 11149 B12R0.49 C=CCCCCCC(=O)N(C)CC 1626a_100000225621_100011934241 [0,2,0,0,0,0|1,0,1]=4 11150 B12R0.49 C=CCCCCCC(=O)N(C)CC 240690a_100000225621_100011934241 [0,2,0,0,0,0|1,0,1]=4 11151 B12R0.49 C=CCCCCCC(=O)N(C)CC 527a_100000225621_100011934241 [0,2,0,0,0,0|1,0,1]=4 11152 B12R0.49 CCC(C)C(=O)CCCCCC#N 1458a_100011192722_100009813376 [0,2,0,0,0,0|1,0,1]=4 11153 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [0,2,0,0,0,0|1,0,0]=3 11154 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [0,2,0,0,0,0|1,0,0]=3 11155 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [0,2,0,0,0,0|1,0,0]=3 11156 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [0,2,0,0,0,0|1,0,0]=3 11157 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100000745395_100000758301 [0,2,0,0,0,0|2,0,0]=4 11158 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100011192722_100000695917 [0,2,0,0,0,0|2,0,0]=4 11159 B12R0.49 CCC(C)C(=O)NCCCCCO 240690a_100000762737_100011192722 [0,2,0,0,0,0|2,0,0]=4 11160 B12R0.49 CCC(O)C(=O)CCCCCC#N 1458a_100011196387_100009813376 [0,2,0,0,0,0|1,0,1]=4 11161 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,2,0,0,0,0|1,0,0]=3 11162 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,2,0,0,0,0|1,0,0]=3 11163 B12R0.49 CCC(O)C(=O)CCOCCOC 1458a_100011196387_100000695917 [0,2,0,0,0,0|2,0,0]=4 11164 B12R0.49 CCC(O)C(=O)NCCCCCO 240690a_100000762737_100011196387 [0,2,0,0,0,0|2,0,0]=4 11165 B12R0.49 CCCC/C=C/CC(=O)C(C)CC 1458a_200016282684_100000758301 [0,2,0,0,0,0|1,0,1]=4 11166 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016282684 [0,2,0,0,0,0|1,0,1]=4 11167 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016282684 [0,2,0,0,0,0|1,0,1]=4 11168 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016282684 [0,2,0,0,0,0|1,0,1]=4 11169 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016282684 [0,2,0,0,0,0|1,0,1]=4 11170 B12R0.49 CCCCCC#CC(=O)C(C)CC 1458a_100011215388_100000758301 [0,2,0,0,0,0|1,0,1]=4 11171 B12R0.49 CCCCCC#CC(=O)N(C)CC 240690a_100000225621_100011215388 [0,2,0,0,0,0|1,0,1]=4 11172 B12R0.49 CCCCCC=CC(=O)C(C)CC 1458a_100016263427_100000758301 [0,2,0,0,0,0|1,0,1]=4 11173 B12R0.49 CCCCCC=CC(=O)N(C)CC 11a_100000225621_100016263427 [0,2,0,0,0,0|1,0,1]=4 11174 B12R0.49 CCCCCC=CC(=O)N(C)CC 1626a_100000225621_100016263427 [0,2,0,0,0,0|1,0,1]=4 11175 B12R0.49 CCCCCC=CC(=O)N(C)CC 240690a_100000225621_100016263427 [0,2,0,0,0,0|1,0,1]=4 11176 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,2,0,0,0,0|2,0,0]=4 11177 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,2,0,0,0,0|1,0,0]=3 11178 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,2,0,0,0,0|1,0,0]=3 11179 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,2,0,0,0,0|2,0,0]=4 11180 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [0,2,0,0,0,0|2,0,0]=4 11181 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,2,0,0,0,0|1,0,0]=3 11182 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,2,0,0,0,0|2,0,0]=4 11183 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 11184 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 11185 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 11186 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,2,0,0,0,0|1,0,0]=3 11187 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,2,0,0,0,0|2,0,0]=4 11188 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,2,0,0,0,0|2,0,0]=4 11189 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,2,0,0,0,0|2,0,0]=4 11190 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 11191 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 11192 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 11193 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,2,0,0,0,0|2,0,0]=4 11194 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 11195 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 11196 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 11197 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,2,0,0,0,0|1,0,0]=3 11198 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 11199 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 11200 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 11201 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,2,0,0,0,0|2,0,0]=4 11202 B12R0.49 CCCCCCNC(=O)C(C)SC 11a_100000210581_100000149566 [0,2,0,0,0,0|2,0,0]=4 11203 B12R0.49 CCCCCCNC(=O)C(C)SC 1626a_100000210581_100000149566 [0,2,0,0,0,0|2,0,0]=4 11204 B12R0.49 CCCCCCNC(=O)C(C)SC 240690a_100000210581_100000149566 [0,2,0,0,0,0|2,0,0]=4 11205 B12R0.49 CCCCCCNC(=O)C(C)SC 527a_100000210581_100000149566 [0,2,0,0,0,0|2,0,0]=4 11206 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,2,0,0,0,0|1,0,0]=3 11207 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,2,0,0,0,0|2,0,0]=4 11208 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [0,2,0,0,0,0|1,0,0]=3 11209 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [0,2,0,0,0,0|1,0,0]=3 11210 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [0,2,0,0,0,0|1,0,0]=3 11211 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100000209983_100000764215 [0,2,0,0,0,0|2,0,0]=4 11212 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210326 [0,2,0,0,0,0|2,0,0]=4 11213 B12R0.49 CCCCCNNC(=O)C(C)CC 22a_100000694160_100011192722 [0,2,0,0,0,0|2,0,0]=4 11214 B12R0.49 CCCCCNNC(=O)C(O)CC 22a_100000694160_100011196387 [0,2,0,0,0,0|2,0,0]=4 11215 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,2,0,0,0,0|2,0,0]=4 11216 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [0,2,0,0,0,0|1,0,0]=3 11217 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [0,2,0,0,0,0|1,0,0]=3 11218 B12R0.49 CCCCCOCC(=O)N(C)OC 7a_100000210253_100000764215 [0,2,0,0,0,0|2,0,0]=4 11219 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,2,0,0,0,0|2,0,0]=4 11220 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,2,0,0,0,0|2,0,0]=4 11221 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [0,2,0,0,0,0|1,0,0]=3 11222 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [0,2,0,0,0,0|1,0,0]=3 11223 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000210326_100000764215 [0,2,0,0,0,0|2,0,0]=4 11224 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000764215_100000210326 [0,2,0,0,0,0|2,0,0]=4 11225 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,2,0,0,0,0|2,0,0]=4 11226 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [0,2,0,0,0,0|1,0,0]=3 11227 B12R0.49 CCCCOCCC(=O)C(C)OC 1458a_100000743197_100000743108 [0,2,0,0,0,0|2,0,0]=4 11228 B12R0.49 CCCCOCCC(=O)C(C)SC 1458a_100000149566_100000743108 [0,2,0,0,0,0|2,0,0]=4 11229 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,2,0,0,0,0|1,0,0]=3 11230 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,2,0,0,0,0|2,0,0]=4 11231 B12R0.49 CCCOCCNC(=O)C(C)CC 1626a_100161115042_100011192722 [0,2,0,0,0,0|2,0,0]=4 11232 B12R0.49 CCCOCCNC(=O)C(C)CC 240690a_100161115042_100011192722 [0,2,0,0,0,0|2,0,0]=4 11233 B12R0.49 CCCOCCNC(=O)C(C)CC 527a_100161115042_100011192722 [0,2,0,0,0,0|2,0,0]=4 11234 B12R0.49 CCCOCCNC(=O)C(O)CC 240690a_100161115042_100011196387 [0,2,0,0,0,0|2,0,0]=4 11235 B12R0.49 CCCOCCNC(=O)N(C)CC 2708a_100161115042_100000225621 [0,2,0,0,0,0|2,0,0]=4 11236 B12R0.49 CCCOCCNC(=O)N(C)CC 273464a_100161115042_100000225621 [0,2,0,0,0,0|2,0,0]=4 11237 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100000210303_100011842776 [0,2,0,0,0,0|2,0,0]=4 11238 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100011842776_100000210303 [0,2,0,0,0,0|2,0,0]=4 11239 B12R0.49 CCCSCCNC(=O)C(C)CC 11a_100020603323_100011192722 [0,2,0,0,0,0|2,0,0]=4 11240 B12R0.49 CCCSCCNC(=O)C(C)CC 240690a_100020603323_100011192722 [0,2,0,0,0,0|2,0,0]=4 11241 B12R0.49 CCCSCCNC(=O)C(C)CC 527a_100020603323_100011192722 [0,2,0,0,0,0|2,0,0]=4 11242 B12R0.49 CCCSCCNC(=O)C(O)CC 240690a_100020603323_100011196387 [0,2,0,0,0,0|2,0,0]=4 11243 B12R0.49 CCCSCCNC(=O)N(C)CC 2708a_100020603323_100000225621 [0,2,0,0,0,0|2,0,0]=4 11244 B12R0.49 CCCSCCNC(=O)N(C)CC 273464a_100020603323_100000225621 [0,2,0,0,0,0|2,0,0]=4 11245 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [0,2,0,0,0,0|1,0,0]=3 11246 B12R0.49 CCN(C)C(=O)CCCCCOC 11a_100000225621_100011935119 [0,2,0,0,0,0|1,0,0]=3 11247 B12R0.49 CCN(C)C(=O)CCCCCOC 1626a_100000225621_100011935119 [0,2,0,0,0,0|1,0,0]=3 11248 B12R0.49 CCN(C)C(=O)CCCCCOC 240690a_100000225621_100011935119 [0,2,0,0,0,0|1,0,0]=3 11249 B12R0.49 CCN(C)C(=O)CCCCCOC 527a_100000225621_100011935119 [0,2,0,0,0,0|1,0,0]=3 11250 B12R0.49 CCN(C)C(=O)CCOCCOC 11a_100000225621_100000745395 [0,2,0,0,0,0|2,0,0]=4 11251 B12R0.49 CCN(C)C(=O)CCOCCOC 1626a_100000225621_100000745395 [0,2,0,0,0,0|2,0,0]=4 11252 B12R0.49 CCN(C)C(=O)CCOCCOC 240690a_100000225621_100000745395 [0,2,0,0,0,0|2,0,0]=4 11253 B12R0.49 CCN(C)C(=O)CCOCCOC 527a_100000225621_100000745395 [0,2,0,0,0,0|2,0,0]=4 11254 B12R0.49 CCN(C)C(=O)CNCCCCO 2230a_100000750430_100000738999 [0,2,0,0,0,0|2,0,0]=4 11255 B12R0.49 CCN(C)C(=O)CNCCCCO 34a_100000750430_100000738999 [0,2,0,0,0,0|2,0,0]=4 11256 B12R0.49 CCN(C)C(=O)CNCCCOC 34a_100150723488_100000738999 [0,2,0,0,0,0|2,0,0]=4 11257 B12R0.49 CCN(C)C(=O)CNCCCSC 2230a_100000749238_100000738999 [0,2,0,0,0,0|2,0,0]=4 11258 B12R0.49 CCN(C)C(=O)COCCCCBr 34a_100011216708_100000738999 [0,2,0,0,0,0|2,0,0]=4 11259 B12R0.49 CCN(C)C(=O)COCCCCCl 34a_100000210776_100000738999 [0,2,0,0,0,0|2,0,0]=4 11260 B12R0.49 CCN(C)C(=O)COCCCCCl 7a_100000210776_100000738999 [0,2,0,0,0,0|2,0,0]=4 11261 B12R0.49 CCN(C)C(=O)COCCCCF 34a_100011995726_100000738999 [0,2,0,0,0,0|2,0,0]=4 11262 B12R0.49 CCN(C)C(=O)COCCCCF 7a_100011995726_100000738999 [0,2,0,0,0,0|2,0,0]=4 11263 B12R0.49 CCN(C)C(=O)COCCCCI 34a_200012148704_100000738999 [0,2,0,0,0,0|2,0,0]=4 11264 B12R0.49 CCN(C)C(=O)COCCCCN 34a_100000750430_100000738999 [0,2,0,0,0,0|2,0,0]=4 11265 B12R0.49 CCN(C)C(=O)COCCCNC 34a_100000213112_100000738999 [0,2,0,0,0,0|2,0,0]=4 11266 B12R0.49 CCN(C)C(=O)COCCCOC 34a_100000740835_100000738999 [0,2,0,0,0,0|2,0,0]=4 11267 B12R0.49 CCN(C)C(=O)COCCCSC 34a_100000690336_100000738999 [0,2,0,0,0,0|2,0,0]=4 11268 B12R0.49 CCN(C)C(=O)COCCCSC 7a_100000690336_100000738999 [0,2,0,0,0,0|2,0,0]=4 11269 B12R0.49 CCN(C)C(=O)CSCCCCF 62a_100000729493_100000738999 [0,2,0,0,0,0|2,0,0]=4 11270 B12R0.49 CCN(C)C(=O)CSCCCCF 62a_100000738999_100000729493 [0,2,0,0,0,0|2,0,0]=4 11271 B12R0.49 CCN(C)C(=O)CSCCCCO 62a_100000210776_100000738999 [0,2,0,0,0,0|2,0,0]=4 11272 B12R0.49 CCN(C)C(=O)CSCCCCO 62a_100000738999_100000210776 [0,2,0,0,0,0|2,0,0]=4 11273 B12R0.49 CCN(C)C(=O)CSCCCOC 62a_100000709357_100000738999 [0,2,0,0,0,0|2,0,0]=4 11274 B12R0.49 CCN(C)C(=O)CSCCCOC 62a_100000738999_100000709357 [0,2,0,0,0,0|2,0,0]=4 11275 B12R0.49 CCN(C)C(=O)NCCCCCO 273464a_100000762737_100000225621 [0,2,0,0,0,0|2,0,0]=4 11276 B12R0.49 CCOCCCNC(=O)C(C)CC 11a_100000210961_100011192722 [0,2,0,0,0,0|2,0,0]=4 11277 B12R0.49 CCOCCCNC(=O)C(C)CC 1626a_100000210961_100011192722 [0,2,0,0,0,0|2,0,0]=4 11278 B12R0.49 CCOCCCNC(=O)C(C)CC 240690a_100000210961_100011192722 [0,2,0,0,0,0|2,0,0]=4 11279 B12R0.49 CCOCCCNC(=O)C(C)CC 527a_100000210961_100011192722 [0,2,0,0,0,0|2,0,0]=4 11280 B12R0.49 CCOCCCNC(=O)C(O)CC 240690a_100000210961_100011196387 [0,2,0,0,0,0|2,0,0]=4 11281 B12R0.49 CCOCCCNC(=O)N(C)CC 2708a_100000210961_100000225621 [0,2,0,0,0,0|2,0,0]=4 11282 B12R0.49 CCOCCCNC(=O)N(C)CC 273464a_100000210961_100000225621 [0,2,0,0,0,0|2,0,0]=4 11283 B12R0.49 CCOCCNCC(=O)N(C)CC 2230a_102516460346_100000738999 [0,2,0,0,0,0|2,0,0]=4 11284 B12R0.49 CCOCCNCC(=O)N(C)CC 34a_102516460346_100000738999 [0,2,0,0,0,0|2,0,0]=4 11285 B12R0.49 CCOCCOCC(=O)N(C)CC 34a_100000210136_100000738999 [0,2,0,0,0,0|2,0,0]=4 11286 B12R0.49 CCOCCOCC(=O)N(C)CC 7a_100000210136_100000738999 [0,2,0,0,0,0|2,0,0]=4 11287 B12R0.49 CCOCCSCC(=O)N(C)CC 62a_100000210147_100000738999 [0,2,0,0,0,0|2,0,0]=4 11288 B12R0.49 CCOCCSCC(=O)N(C)CC 62a_100000738999_100011215890 [0,2,0,0,0,0|2,0,0]=4 11289 B12R0.49 CCSCCNCC(=O)N(C)CC 2230a_100000106463_100000738999 [0,2,0,0,0,0|2,0,0]=4 11290 B12R0.49 CCSCCOCC(=O)N(C)CC 34a_100000212035_100000738999 [0,2,0,0,0,0|2,0,0]=4 11291 B12R0.49 CCSCCOCC(=O)N(C)CC 7a_100000212035_100000738999 [0,2,0,0,0,0|2,0,0]=4 11292 B12R0.49 CCSCCSCC(=O)N(C)CC 62a_100000738999_100000757381 [0,2,0,0,0,0|2,0,0]=4 11293 B12R0.49 CCSCCSCC(=O)N(C)CC 62a_100000757381_100000738999 [0,2,0,0,0,0|2,0,0]=4 11294 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,2,0,0,0,0|2,0,0]=4 11295 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,2,0,0,0,0|2,0,0]=4 11296 B12R0.49 COC(C)C(=O)CCCCCCF 1458a_100000743197_100015922095 [0,2,0,0,0,0|2,0,0]=4 11297 B12R0.49 COC(C)C(=O)CCCCCCO 1458a_100000743197_100000766143 [0,2,0,0,0,0|2,0,0]=4 11298 B12R0.49 CSC(C)C(=O)CCCCCCF 1458a_100000149566_100015922095 [0,2,0,0,0,0|2,0,0]=4 11299 B12R0.49 CSC(C)C(=O)CCCCCCO 1458a_100000149566_100000766143 [0,2,0,0,0,0|2,0,0]=4 11300 B12R0.49 O=C(CCCCCCF)C(O)CO 1458a_100011215603_100015922095 [0,2,0,0,0,0|2,0,0]=4 11301 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [0,2,0,0,0,0|2,0,0]=4 11302 B12R0.101 C#CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000753159 [0,2,0,0,0,0|0,0,2]=4 11303 B12R0.101 C#CCCN(C)CCC(=O)OCC 2230a_100000745921_100000688953 [0,2,0,0,0,0|0,0,2]=4 11304 B12R0.101 C#CCCN(C)CCC(=O)OCC 269982a_100000745921_100000730999 [0,2,0,0,0,0|0,0,2]=4 11305 B12R0.101 C#CCNC(C)CCC(=O)OCC 34a_100000212058_100000748298 [0,2,0,0,0,0|0,0,2]=4 11306 B12R0.101 C#CCOC(C)CCC(=O)OCC 34a_100000210247_100000748298 [0,2,0,0,0,0|0,0,2]=4 11307 B12R0.101 C#CCSC(C)CCC(=O)OCC 62a_100000038162_100000748298 [0,2,0,0,0,0|0,0,2]=4 11308 B12R0.101 C/C=C/CC(=O)CCC(=O)OCC 1458a_100000183558_100102629194 [0,2,0,0,0,0|0,0,2]=4 11309 B12R0.101 C/C=C/CN(C)CCC(=O)OCC 269982a_100000745921_100102629194 [0,2,0,0,0,0|0,0,2]=4 11310 B12R0.101 C=C(COC(C)CCC)OCOC 34a_100000764384_100000042856 [0,2,0,0,0,0|2,0,0]=4 11311 B12R0.101 C=C(CSC(C)CCC)OCOC 62a_100000042856_100000766640 [0,2,0,0,0,0|2,0,0]=4 11312 B12R0.101 C=C(CSC(C)CCC)OCOC 62a_100000766640_100000042856 [0,2,0,0,0,0|2,0,0]=4 11313 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [0,2,0,0,0,0|0,0,2]=4 11314 B12R0.101 C=CCCC(C)OCC(=O)OCC 34a_100000765329_100000188475 [0,2,0,0,0,0|0,0,2]=4 11315 B12R0.101 C=CCCC(C)OCC(=O)OCC 7a_100000765329_100000188475 [0,2,0,0,0,0|0,0,2]=4 11316 B12R0.101 C=CCCN(C)CCC(=O)OCC 2230a_100000745921_100000754431 [0,2,0,0,0,0|0,0,2]=4 11317 B12R0.101 C=CCCN(C)CCC(=O)OCC 2230a_100020639649_100011206558 [0,2,0,0,0,0|0,0,2]=4 11318 B12R0.101 C=CCCN(C)CCC(=O)OCC 269982a_100000745921_100000754431 [0,2,0,0,0,0|0,0,2]=4 11319 B12R0.101 C=CCCN(C)CCC(=O)OCC 269982a_100020639649_100011206558 [0,2,0,0,0,0|0,0,2]=4 11320 B12R0.101 C=CCNC(C)CCC(=O)OCC 2230a_100020586998_100000748298 [0,2,0,0,0,0|0,0,2]=4 11321 B12R0.101 C=CCOC(=O)CNC(C)CCC 2230a_100000741246_100000033060 [0,2,0,0,0,0|1,0,1]=4 11322 B12R0.101 C=CCOC(=O)COC(C)CCC 34a_100000764384_100000033060 [0,2,0,0,0,0|1,0,1]=4 11323 B12R0.101 C=CCOC(=O)COC(C)CCC 7a_100000764384_100000033060 [0,2,0,0,0,0|1,0,1]=4 11324 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000033060_100000766640 [0,2,0,0,0,0|1,0,1]=4 11325 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000766640_100000033060 [0,2,0,0,0,0|1,0,1]=4 11326 B12R0.101 C=CCOC(C)CCC(=O)OCC 34a_200000210373_100000748298 [0,2,0,0,0,0|0,0,2]=4 11327 B12R0.101 C=CCSC(C)CCC(=O)OCC 62a_100000210623_100000748298 [0,2,0,0,0,0|0,0,2]=4 11328 B12R0.101 C=CCSC(C)CCC(=O)OCC 62a_100000748298_100000210623 [0,2,0,0,0,0|0,0,2]=4 11329 B12R0.101 C=COC(=O)CNC(C)CCCC 2230a_100000126638_100000036128 [0,2,0,0,0,0|0,0,2]=4 11330 B12R0.101 C=COC(=O)COC(C)CCCC 34a_100000687866_100000036128 [0,2,0,0,0,0|0,0,2]=4 11331 B12R0.101 C=COC(=O)CSC(C)CCCC 62a_100000036128_200011215066 [0,2,0,0,0,0|0,0,2]=4 11332 B12R0.101 C=COC(=O)CSC(C)CCCC 62a_200011215066_100000036128 [0,2,0,0,0,0|0,0,2]=4 11333 B12R0.101 CC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000748600 [0,2,0,0,0,0|0,0,2]=4 11334 B12R0.101 CC#CCN(C)CCC(=O)OCC 2230a_100000745921_100000748600 [0,2,0,0,0,0|0,0,2]=4 11335 B12R0.101 CC=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000070051 [0,2,0,0,0,0|0,0,2]=4 11336 B12R0.101 CC=CCN(C)CCC(=O)OCC 2230a_100000745921_100000070051 [0,2,0,0,0,0|0,0,2]=4 11337 B12R0.101 CCC#CC(C)OCC(=O)OCC 34a_100000033903_100000188475 [0,2,0,0,0,0|0,0,2]=4 11338 B12R0.101 CCC#CC(C)OCC(=O)OCC 7a_100000033903_100000188475 [0,2,0,0,0,0|0,0,2]=4 11339 B12R0.101 CCCC(=O)CCN(C)CCOC 1458a_200103286627_100000210303 [0,2,0,0,0,0|2,0,0]=4 11340 B12R0.101 CCCC(=O)COC(C)CCCCl 7a_200000718107_100000747444 [0,2,0,0,0,0|2,0,0]=4 11341 B12R0.101 CCCC(=O)COC(C)COCC 7a_100000718985_100000747444 [0,2,0,0,0,0|2,0,0]=4 11342 B12R0.101 CCCC(=O)NCC(O)COCC 240690a_102515437182_100000211992 [0,2,0,0,0,0|2,0,0]=4 11343 B12R0.101 CCCC(=O)NCC(O)COCC 527a_102515437182_100000211992 [0,2,0,0,0,0|2,0,0]=4 11344 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211992 [0,2,0,0,0,0|2,0,0]=4 11345 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211992 [0,2,0,0,0,0|2,0,0]=4 11346 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,2,0,0,0,0|1,0,1]=4 11347 B12R0.101 CCCC(C)CCC(=NNCC)C 4a_100000756455_200011216527 [0,2,0,0,0,0|2,0,0]=4 11348 B12R0.101 CCCC(C)NCC(=O)NCCF 2230a_100000725713_100000766640 [0,2,0,0,0,0|2,0,0]=4 11349 B12R0.101 CCCC(C)NCC(=O)NCCF 270004a_100000725713_100000211909 [0,2,0,0,0,0|2,0,0]=4 11350 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [0,2,0,0,0,0|0,0,2]=4 11351 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,2,0,0,0,0|1,0,0]=3 11352 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,2,0,0,0,0|0,0,0]=2 11353 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,2,0,0,0,0|0,0,1]=3 11354 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,2,0,0,0,0|1,0,1]=4 11355 B12R0.101 CCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210183 [0,2,0,0,0,0|1,0,1]=4 11356 B12R0.101 CCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210183 [0,2,0,0,0,0|1,0,1]=4 11357 B12R0.101 CCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210183 [0,2,0,0,0,0|1,0,1]=4 11358 B12R0.101 CCCCC(=O)NCC(=O)NCC 527a_100016988866_100000210183 [0,2,0,0,0,0|1,0,1]=4 11359 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,2,0,0,0,0|0,0,1]=3 11360 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,2,0,0,0,0|1,0,0]=3 11361 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,2,0,0,0,0|2,0,0]=4 11362 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,2,0,0,0,0|2,0,0]=4 11363 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 11364 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 11365 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,2,0,0,0,0|1,0,0]=3 11366 B12R0.101 CCCCC(C)CCC(=O)NNC 22a_100016993582_100000033779 [0,2,0,0,0,0|2,0,0]=4 11367 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,2,0,0,0,0|1,0,0]=3 11368 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [0,2,0,0,0,0|1,0,0]=3 11369 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [0,2,0,0,0,0|1,0,0]=3 11370 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [0,2,0,0,0,0|1,0,0]=3 11371 B12R0.101 CCCCC(C)NCC(=O)NCO 2230a_100000126638_100000185155 [0,2,0,0,0,0|2,0,0]=4 11372 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,2,0,0,0,0|0,0,0]=2 11373 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,2,0,0,0,0|1,0,0]=3 11374 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,2,0,0,0,0|1,0,0]=3 11375 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,2,0,0,0,0|1,0,0]=3 11376 B12R0.101 CCCCC(C)OCC(=O)NCO 34a_100000687866_100000185155 [0,2,0,0,0,0|2,0,0]=4 11377 B12R0.101 CCCCC(C)OCC(=O)NCO 7a_100000687866_100000185155 [0,2,0,0,0,0|2,0,0]=4 11378 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,2,0,0,0,0|0,0,0]=2 11379 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,2,0,0,0,0|0,0,0]=2 11380 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,2,0,0,0,0|1,0,0]=3 11381 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,2,0,0,0,0|1,0,0]=3 11382 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [0,2,0,0,0,0|1,0,0]=3 11383 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [0,2,0,0,0,0|1,0,0]=3 11384 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_100000185155_200011215066 [0,2,0,0,0,0|2,0,0]=4 11385 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_200011215066_100000185155 [0,2,0,0,0,0|2,0,0]=4 11386 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,2,0,0,0,0|0,0,0]=2 11387 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,2,0,0,0,0|0,0,0]=2 11388 B12R0.101 CCCCN(C)CCC(=O)NCC 2230a_100000207549_100000737597 [0,2,0,0,0,0|1,0,0]=3 11389 B12R0.101 CCCCN(C)CCC(=O)NCC 269982a_100000207549_100000737597 [0,2,0,0,0,0|1,0,0]=3 11390 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,2,0,0,0,0|0,0,0]=2 11391 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,2,0,0,0,0|0,0,0]=2 11392 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,2,0,0,0,0|0,0,0]=2 11393 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,2,0,0,0,0|0,0,0]=2 11394 B12R0.101 CCCCN(C)COC(=O)CCC 2230a_100000207549_100000034017 [0,2,0,0,0,0|2,0,0]=4 11395 B12R0.101 CCCCN(C)COC(=O)CCC 269982a_100000207549_100000034017 [0,2,0,0,0,0|2,0,0]=4 11396 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [0,2,0,0,0,0|1,0,1]=4 11397 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 11398 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 11399 B12R0.101 CCCNC(=O)CCC(=O)NCC 1626a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 11400 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 11401 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 11402 B12R0.101 CCCNC(=O)CCC(=O)NCC 527a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 11403 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,2,0,0,0,0|0,0,1]=3 11404 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,2,0,0,0,0|0,0,1]=3 11405 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,2,0,0,0,0|0,0,1]=3 11406 B12R0.101 CCCNC(=O)CNC(=O)OCC 11a_100020643023_100000190774 [0,2,0,0,0,0|1,0,1]=4 11407 B12R0.101 CCCNC(=O)CNC(=O)OCC 1626a_100020643023_100000190774 [0,2,0,0,0,0|1,0,1]=4 11408 B12R0.101 CCCNC(=O)CNC(=O)OCC 240690a_100020643023_100000190774 [0,2,0,0,0,0|1,0,1]=4 11409 B12R0.101 CCCNC(=O)CNC(=O)OCC 527a_100020643023_100000190774 [0,2,0,0,0,0|1,0,1]=4 11410 B12R0.101 CCCNC(=O)CNC(C)CCC 2230a_100000174927_100000766640 [0,2,0,0,0,0|2,0,0]=4 11411 B12R0.101 CCCNC(=O)CNC(C)CCC 2230a_100000741246_100000183358 [0,2,0,0,0,0|2,0,0]=4 11412 B12R0.101 CCCNC(=O)CNC(C)CCC 270004a_100000174927_100000211909 [0,2,0,0,0,0|2,0,0]=4 11413 B12R0.101 CCCNC(=O)COC(C)CCC 34a_100000764384_100000183358 [0,2,0,0,0,0|2,0,0]=4 11414 B12R0.101 CCCNC(=O)COC(C)CCC 7a_100000764384_100000183358 [0,2,0,0,0,0|2,0,0]=4 11415 B12R0.101 CCCNC(=O)CSC(C)CCC 62a_100000183358_100000766640 [0,2,0,0,0,0|2,0,0]=4 11416 B12R0.101 CCCNC(=O)CSC(C)CCC 62a_100000766640_100000183358 [0,2,0,0,0,0|2,0,0]=4 11417 B12R0.101 CCCOC(=O)CNC(C)CCC 2230a_100000741246_200011215008 [0,2,0,0,0,0|1,0,0]=3 11418 B12R0.101 CCCOC(=O)CN[C@H](C)CCO 2230a_100000706166_200011215008 [0,2,0,0,0,0|2,0,0]=4 11419 B12R0.101 CCCOC(=O)CN[C@H](C)CCO 34a_100000706166_200011215008 [0,2,0,0,0,0|2,0,0]=4 11420 B12R0.101 CCCOC(=O)CN[C@H](C)COC 2230a_100000764878_200011215008 [0,2,0,0,0,0|2,0,0]=4 11421 B12R0.101 CCCOC(=O)COC(C)CCBr 34a_100012276601_200011215008 [0,2,0,0,0,0|2,0,0]=4 11422 B12R0.101 CCCOC(=O)COC(C)CCC 34a_100000764384_200011215008 [0,2,0,0,0,0|1,0,0]=3 11423 B12R0.101 CCCOC(=O)COC(C)CCC 7a_100000764384_200011215008 [0,2,0,0,0,0|1,0,0]=3 11424 B12R0.101 CCCOC(=O)CO[C@H](C)COC 34a_100011934205_200011215008 [0,2,0,0,0,0|2,0,0]=4 11425 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_100000766640_200011215008 [0,2,0,0,0,0|1,0,0]=3 11426 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_200011215008_100000766640 [0,2,0,0,0,0|1,0,0]=3 11427 B12R0.101 CCCOC(=O)CSC(C)CCO 62a_100009893172_200011215008 [0,2,0,0,0,0|2,0,0]=4 11428 B12R0.101 CCCOC(=O)CSC(C)CCO 62a_200011215008_100009893172 [0,2,0,0,0,0|2,0,0]=4 11429 B12R0.101 CCCOC(=O)CSC(C)COC 62a_100000765312_200011215008 [0,2,0,0,0,0|2,0,0]=4 11430 B12R0.101 CCCOC(=O)CSC(C)COC 62a_200011215008_100000765312 [0,2,0,0,0,0|2,0,0]=4 11431 B12R0.101 CCCOC(=O)OCC(=O)CCC 1458a_100000211992_200000139673 [0,2,0,0,0,0|1,0,1]=4 11432 B12R0.101 CCCOC(=O)OCN(C)CCC 269982a_100000747261_200000139673 [0,2,0,0,0,0|2,0,0]=4 11433 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,2,0,0,0,0|0,0,0]=2 11434 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,2,0,0,0,0|2,0,0]=4 11435 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,2,0,0,0,0|2,0,0]=4 11436 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,2,0,0,0,0|2,0,0]=4 11437 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,2,0,0,0,0|2,0,0]=4 11438 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 11439 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 11440 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 11441 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 11442 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015185124_100015525214 [0,2,0,0,0,0|2,0,0]=4 11443 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015525214_100015185124 [0,2,0,0,0,0|2,0,0]=4 11444 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,2,0,0,0,0|0,0,0]=2 11445 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,2,0,0,0,0|0,0,0]=2 11446 B12R0.101 CCNC(=O)CCC(=O)CCCF 1458a_100000199579_100011934791 [0,2,0,0,0,0|1,0,1]=4 11447 B12R0.101 CCNC(=O)CCC(=O)CCCO 1458a_100000199579_100011215043 [0,2,0,0,0,0|1,0,1]=4 11448 B12R0.101 CCNC(=O)CCC(=O)CCOC 1458a_100000199579_100000233755 [0,2,0,0,0,0|1,0,1]=4 11449 B12R0.101 CCNC(=O)CCC(=O)CCSC 1458a_100000199579_100000751147 [0,2,0,0,0,0|1,0,1]=4 11450 B12R0.101 CCNC(=O)CCN(C)CCCO 2230a_100000213112_100000737597 [0,2,0,0,0,0|2,0,0]=4 11451 B12R0.101 CCNC(=O)CCN(C)CCCO 269982a_100000213112_100000737597 [0,2,0,0,0,0|2,0,0]=4 11452 B12R0.101 CCNC(=O)CCN(C)CCOC 2230a_100000743101_100000737597 [0,2,0,0,0,0|2,0,0]=4 11453 B12R0.101 CCNC(=O)CCN(C)CCOC 240690a_100015525214_200103286627 [0,2,0,0,0,0|2,0,0]=4 11454 B12R0.101 CCNC(=O)CCN(C)CCOC 269982a_100000743101_100000737597 [0,2,0,0,0,0|2,0,0]=4 11455 B12R0.101 CCNC(=O)CCN(C)CCSC 2230a_100000686725_100000737597 [0,2,0,0,0,0|2,0,0]=4 11456 B12R0.101 CCNC(=O)CCN(C)CCSC 269982a_100000686725_100000737597 [0,2,0,0,0,0|2,0,0]=4 11457 B12R0.101 CCNC(=O)CNC(C)CCOC 270004a_100016988866_100000742357 [0,2,0,0,0,0|2,0,0]=4 11458 B12R0.101 CCNC(=O)CNC(C)CCSC 270004a_100016988866_100011217047 [0,2,0,0,0,0|2,0,0]=4 11459 B12R0.101 CCNC(=O)CNC(C)CSCC 270004a_100016988866_200011216171 [0,2,0,0,0,0|2,0,0]=4 11460 B12R0.101 CCNC(=O)COC(C)CCCCl 34a_200000718107_100000183381 [0,2,0,0,0,0|2,0,0]=4 11461 B12R0.101 CCNC(=O)COC(C)CCCCl 7a_200000718107_100000183381 [0,2,0,0,0,0|2,0,0]=4 11462 B12R0.101 CCNC(=O)COC(C)COCC 34a_100000718985_100000183381 [0,2,0,0,0,0|2,0,0]=4 11463 B12R0.101 CCNC(=O)COC(C)COCC 7a_100000718985_100000183381 [0,2,0,0,0,0|2,0,0]=4 11464 B12R0.101 CCNC(=O)NCC(O)COCC 2708a_100015525214_102515437182 [0,2,0,0,0,0|2,0,0]=4 11465 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_100015525214_102515437182 [0,2,0,0,0,0|2,0,0]=4 11466 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_102515437182_100015525214 [0,2,0,0,0,0|2,0,0]=4 11467 B12R0.101 CCNC(=O)NCC(O)COCC 512a_102515437182_100015525214 [0,2,0,0,0,0|2,0,0]=4 11468 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 2708a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 11469 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 11470 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100015525214 [0,2,0,0,0,0|2,0,0]=4 11471 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100015525214_100160569302 [0,2,0,0,0,0|2,0,0]=4 11472 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100160569302_100015525214 [0,2,0,0,0,0|2,0,0]=4 11473 B12R0.101 CCNCC(=O)NCC(=O)OCC 2230a_100015525214_100011215850 [0,2,0,0,0,0|1,0,1]=4 11474 B12R0.101 CCNN=C(C)CCC(=O)OCC 4a_100000756455_100011212338 [0,2,0,0,0,0|1,0,1]=4 11475 B12R0.101 CCOC(=O)CCC(=O)CCC#N 1458a_100000183558_100011215226 [0,2,0,0,0,0|0,0,2]=4 11476 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [0,2,0,0,0,0|0,0,1]=3 11477 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [0,2,0,0,0,0|0,0,1]=3 11478 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [0,2,0,0,0,0|0,0,1]=3 11479 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [0,2,0,0,0,0|0,0,1]=3 11480 B12R0.101 CCOC(=O)CCC(=O)NCCF 11a_100000724931_100000183558 [0,2,0,0,0,0|1,0,1]=4 11481 B12R0.101 CCOC(=O)CCC(=O)NCCF 1626a_100000724931_100000183558 [0,2,0,0,0,0|1,0,1]=4 11482 B12R0.101 CCOC(=O)CCC(=O)NCCF 240690a_100000724931_100000183558 [0,2,0,0,0,0|1,0,1]=4 11483 B12R0.101 CCOC(=O)CCC(=O)NCCO 240690a_100000210304_100000183558 [0,2,0,0,0,0|1,0,1]=4 11484 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [0,2,0,0,0,0|1,0,0]=3 11485 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [0,2,0,0,0,0|1,0,0]=3 11486 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [0,2,0,0,0,0|1,0,0]=3 11487 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [0,2,0,0,0,0|1,0,0]=3 11488 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [0,2,0,0,0,0|1,0,0]=3 11489 B12R0.101 CCOC(=O)CCC(C)SCC#N 62a_100000748298_100011215382 [0,2,0,0,0,0|1,0,1]=4 11490 B12R0.101 CCOC(=O)CCC(C)SCC#N 62a_100011215382_100000748298 [0,2,0,0,0,0|1,0,1]=4 11491 B12R0.101 CCOC(=O)CCC(C)SCC=O 62a_100000748298_200015260668 [0,2,0,0,0,0|1,0,1]=4 11492 B12R0.101 CCOC(=O)CCC(C)SCC=O 62a_200015260668_100000748298 [0,2,0,0,0,0|1,0,1]=4 11493 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [0,2,0,0,0,0|1,0,0]=3 11494 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [0,2,0,0,0,0|1,0,0]=3 11495 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [0,2,0,0,0,0|1,0,0]=3 11496 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [0,2,0,0,0,0|1,0,0]=3 11497 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000748298_100000766300 [0,2,0,0,0,0|1,0,0]=3 11498 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000766300_100000748298 [0,2,0,0,0,0|1,0,0]=3 11499 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100000748298_100011218213 [0,2,0,0,0,0|1,0,0]=3 11500 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100011218213_100000748298 [0,2,0,0,0,0|1,0,0]=3 11501 B12R0.101 CCOC(=O)CCN(C)CCC#N 2230a_100000184479_100011206558 [0,2,0,0,0,0|1,0,1]=4 11502 B12R0.101 CCOC(=O)CCN(C)CCC#N 2230a_100000745921_100011215226 [0,2,0,0,0,0|1,0,1]=4 11503 B12R0.101 CCOC(=O)CCN(C)CCC#N 269982a_100000745921_100011215226 [0,2,0,0,0,0|1,0,1]=4 11504 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [0,2,0,0,0,0|1,0,0]=3 11505 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [0,2,0,0,0,0|1,0,0]=3 11506 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [0,2,0,0,0,0|1,0,0]=3 11507 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [0,2,0,0,0,0|1,0,0]=3 11508 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [0,2,0,0,0,0|1,0,0]=3 11509 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [0,2,0,0,0,0|1,0,0]=3 11510 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [0,2,0,0,0,0|1,0,0]=3 11511 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [0,2,0,0,0,0|1,0,0]=3 11512 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [0,2,0,0,0,0|1,0,0]=3 11513 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [0,2,0,0,0,0|1,0,0]=3 11514 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [0,2,0,0,0,0|1,0,0]=3 11515 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [0,2,0,0,0,0|1,0,0]=3 11516 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [0,2,0,0,0,0|1,0,0]=3 11517 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [0,2,0,0,0,0|1,0,0]=3 11518 B12R0.101 CCOC(=O)CNC(=O)CCOC 188690a_100000741813_100000749529 [0,2,0,0,0,0|1,0,1]=4 11519 B12R0.101 CCOC(=O)CNC(=O)CCSC 188690a_100000741813_100000174002 [0,2,0,0,0,0|1,0,1]=4 11520 B12R0.101 CCOC(=O)CNC(=O)CSCC 188690a_100000741813_100000230394 [0,2,0,0,0,0|1,0,1]=4 11521 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100000210202_100011215850 [0,2,0,0,0,0|1,0,1]=4 11522 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100011215850_100000210202 [0,2,0,0,0,0|1,0,1]=4 11523 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,2,0,0,0,0|1,0,0]=3 11524 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,2,0,0,0,0|1,0,0]=3 11525 B12R0.101 CCOC(=O)NCC(=O)CCCF 1458a_100000190774_100011934791 [0,2,0,0,0,0|1,0,1]=4 11526 B12R0.101 CCOC(=O)NCC(=O)CCCO 1458a_100000190774_100011215043 [0,2,0,0,0,0|1,0,1]=4 11527 B12R0.101 CCOC(=O)NCC(=O)CCOC 1458a_100000190774_100000233755 [0,2,0,0,0,0|1,0,1]=4 11528 B12R0.101 CCOC(=O)NCC(=O)CCSC 1458a_100000190774_100000751147 [0,2,0,0,0,0|1,0,1]=4 11529 B12R0.101 CCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000211967 [0,2,0,0,0,0|1,0,1]=4 11530 B12R0.101 CCOCC(=O)NCC(=O)OCC 34a_100121572206_100011215850 [0,2,0,0,0,0|1,0,1]=4 11531 B12R0.101 CCOCC(=O)NCC(O)COC 240690a_100000756049_100000211967 [0,2,0,0,0,0|2,0,0]=4 11532 B12R0.101 CCOCC(=O)NCC(O)COC 527a_100000756049_100000211967 [0,2,0,0,0,0|2,0,0]=4 11533 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,2,0,0,0,0|1,0,0]=3 11534 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,2,0,0,0,0|1,0,0]=3 11535 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [0,2,0,0,0,0|1,0,0]=3 11536 B12R0.114 C#CCCCCC(=O)C(C)OCC 1458a_100000739345_100010269958 [0,2,0,0,0,0|0,0,2]=4 11537 B12R0.114 C#CCCCNC(C)C(=O)OCC 34a_100000718082_100011216346 [0,2,0,0,0,0|0,0,2]=4 11538 B12R0.114 C#CCCCNC(F)C(=O)OCC 34a_100000718082_100000760018 [0,2,0,0,0,0|0,0,2]=4 11539 B12R0.114 C#CCCCOC(C)C(=O)OCC 34a_100000215630_100011216346 [0,2,0,0,0,0|0,0,2]=4 11540 B12R0.114 C#CCCCOC(C)C(=O)OCC 7a_100000215630_100011216346 [0,2,0,0,0,0|0,0,2]=4 11541 B12R0.114 C#CCCCOC(F)C(=O)OCC 34a_100000215630_100000760018 [0,2,0,0,0,0|0,0,2]=4 11542 B12R0.114 C#CCCCOC(F)C(=O)OCC 7a_100000215630_100000040065 [0,2,0,0,0,0|0,0,2]=4 11543 B12R0.114 C#CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215417 [0,2,0,0,0,0|0,0,2]=4 11544 B12R0.114 C#CCCCSC(C)C(=O)OCC 62a_100011215417_100011216346 [0,2,0,0,0,0|0,0,2]=4 11545 B12R0.114 C#CCCCSC(C)C(=O)OCC 62a_100011216346_100011215417 [0,2,0,0,0,0|0,0,2]=4 11546 B12R0.114 C#CCCCSC(F)C(=O)OCC 62a_100000760018_100011215417 [0,2,0,0,0,0|0,0,2]=4 11547 B12R0.114 C#CCCCSC(F)C(=O)OCC 62a_100011215417_100000760018 [0,2,0,0,0,0|0,0,2]=4 11548 B12R0.114 C#CCN(C)C(=O)CCCCCC 11a_100000225692_100102632555 [0,2,0,0,0,0|1,0,1]=4 11549 B12R0.114 C#CCN(C)C(=O)CCCCCC 1626a_100000225692_100102632555 [0,2,0,0,0,0|1,0,1]=4 11550 B12R0.114 C#CCN(C)C(=O)CCCCCC 527a_100000225692_100102632555 [0,2,0,0,0,0|1,0,1]=4 11551 B12R0.114 C/C=C/CCOC(C)C(=O)OCC 34a_100016278192_100011216346 [0,2,0,0,0,0|0,0,2]=4 11552 B12R0.114 C/C=C/CCOC(F)C(=O)OCC 34a_100016278192_100000760018 [0,2,0,0,0,0|0,0,2]=4 11553 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [0,2,0,0,0,0|0,0,1]=3 11554 B12R0.114 C=C(CNCCCF)C(=O)OCC 34a_100015189416_100000755967 [0,2,0,0,0,0|1,0,1]=4 11555 B12R0.114 C=C(COCCCBr)C(=O)OCC 34a_100011217188_100000755967 [0,2,0,0,0,0|1,0,1]=4 11556 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [0,2,0,0,0,0|0,0,1]=3 11557 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [0,2,0,0,0,0|0,0,1]=3 11558 B12R0.114 C=C(COCCCCl)C(=O)OCC 34a_100000230001_100000755967 [0,2,0,0,0,0|1,0,1]=4 11559 B12R0.114 C=C(COCCCF)C(=O)OCC 34a_100000759539_100000755967 [0,2,0,0,0,0|1,0,1]=4 11560 B12R0.114 C=C(COCCCN)C(=O)OCC 34a_100000182051_100000755967 [0,2,0,0,0,0|1,0,1]=4 11561 B12R0.114 C=C(COCCOC)C(=O)OCC 34a_100000210237_100000755967 [0,2,0,0,0,0|1,0,1]=4 11562 B12R0.114 C=C(COCCSC)C(=O)OCC 34a_100000230434_100000755967 [0,2,0,0,0,0|1,0,1]=4 11563 B12R0.114 C=C(COCCSC)C(=O)OCC 7a_100000230434_100000755967 [0,2,0,0,0,0|1,0,1]=4 11564 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [0,2,0,0,0,0|0,0,1]=3 11565 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [0,2,0,0,0,0|0,0,1]=3 11566 B12R0.114 C=C(CSCCCF)C(=O)OCC 62a_100000755967_100011934791 [0,2,0,0,0,0|1,0,1]=4 11567 B12R0.114 C=C(CSCCCF)C(=O)OCC 62a_100011934791_100000755967 [0,2,0,0,0,0|1,0,1]=4 11568 B12R0.114 C=C(CSCCCO)C(=O)OCC 62a_100000755967_100011215043 [0,2,0,0,0,0|1,0,1]=4 11569 B12R0.114 C=C(CSCCCO)C(=O)OCC 62a_100011215043_100000755967 [0,2,0,0,0,0|1,0,1]=4 11570 B12R0.114 C=C(CSCCOC)C(=O)OCC 62a_100000233755_100000755967 [0,2,0,0,0,0|1,0,1]=4 11571 B12R0.114 C=C(CSCCOC)C(=O)OCC 62a_100000755967_100000233755 [0,2,0,0,0,0|1,0,1]=4 11572 B12R0.114 C=C(CSCCSC)C(=O)OCC 62a_100000212216_100000755967 [0,2,0,0,0,0|1,0,1]=4 11573 B12R0.114 C=C(CSCCSC)C(=O)OCC 62a_100000755967_100000751147 [0,2,0,0,0,0|1,0,1]=4 11574 B12R0.114 C=C(CSCOCC)C(=O)OCC 62a_100000739092_100000755967 [0,2,0,0,0,0|1,0,1]=4 11575 B12R0.114 C=C(CSCOCC)C(=O)OCC 62a_100000755967_100000739092 [0,2,0,0,0,0|1,0,1]=4 11576 B12R0.114 C=CCC(C)C(=O)CCCCCC 1458a_100011216819_100000210757 [0,2,0,0,0,0|1,0,1]=4 11577 B12R0.114 C=CCCCCC(=O)C(C)OCC 1458a_100000739345_100011215482 [0,2,0,0,0,0|0,0,2]=4 11578 B12R0.114 C=CCCCNC(C)C(=O)OCC 2230a_100000700776_100011215307 [0,2,0,0,0,0|0,0,2]=4 11579 B12R0.114 C=CCCCNC(C)C(=O)OCC 34a_100000700776_100011216346 [0,2,0,0,0,0|0,0,2]=4 11580 B12R0.114 C=CCCCNC(F)C(=O)OCC 2230a_100000700776_100000760018 [0,2,0,0,0,0|0,0,2]=4 11581 B12R0.114 C=CCCCNC(F)C(=O)OCC 34a_100000700776_100000760018 [0,2,0,0,0,0|0,0,2]=4 11582 B12R0.114 C=CCCCOC(C)C(=O)OCC 34a_100000758997_100011216346 [0,2,0,0,0,0|0,0,2]=4 11583 B12R0.114 C=CCCCOC(C)C(=O)OCC 7a_100000758997_100011216346 [0,2,0,0,0,0|0,0,2]=4 11584 B12R0.114 C=CCCCOC(F)C(=O)OCC 34a_100000758997_100000760018 [0,2,0,0,0,0|0,0,2]=4 11585 B12R0.114 C=CCCCOC(F)C(=O)OCC 7a_100000758997_100000040065 [0,2,0,0,0,0|0,0,2]=4 11586 B12R0.114 C=CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000757094 [0,2,0,0,0,0|0,0,2]=4 11587 B12R0.114 C=CCCCSC(C)C(=O)OCC 62a_100011216346_100000757094 [0,2,0,0,0,0|0,0,2]=4 11588 B12R0.114 C=CCCCSC(C)C(=O)OCC 62a_100011713584_100011216346 [0,2,0,0,0,0|0,0,2]=4 11589 B12R0.114 C=CCCCSC(F)C(=O)OCC 62a_100000760018_100000757094 [0,2,0,0,0,0|0,0,2]=4 11590 B12R0.114 C=CCCCSC(F)C(=O)OCC 62a_100011713584_100000760018 [0,2,0,0,0,0|0,0,2]=4 11591 B12R0.114 C=CCN(C)C(=O)CCCCCC 11a_100000225617_100102632555 [0,2,0,0,0,0|1,0,1]=4 11592 B12R0.114 C=CCN(C)C(=O)CCCCCC 1626a_100000225617_100102632555 [0,2,0,0,0,0|1,0,1]=4 11593 B12R0.114 C=CCN(C)C(=O)CCCCCC 240690a_100000225617_100102632555 [0,2,0,0,0,0|1,0,1]=4 11594 B12R0.114 C=CCN(C)C(=O)CCCCCC 527a_100000225617_100102632555 [0,2,0,0,0,0|1,0,1]=4 11595 B12R0.114 CC#CC(=O)C(C)CCCCCC 1458a_100000763181_100011215978 [0,2,0,0,0,0|1,0,1]=4 11596 B12R0.114 CC#CCCOC(C)C(=O)OCC 34a_100000750427_100011216346 [0,2,0,0,0,0|0,0,2]=4 11597 B12R0.114 CC#CCCOC(F)C(=O)OCC 34a_100000750427_100000760018 [0,2,0,0,0,0|0,0,2]=4 11598 B12R0.114 CC(CCO)C(=O)CCCCCO 1458a_100102619762_100009893172 [0,2,0,0,0,0|2,0,0]=4 11599 B12R0.114 CC/C=C(\C)/C(=O)CCCCCC 1458a_100016988807_100000210757 [0,2,0,0,0,0|1,0,0]=3 11600 B12R0.114 CC/C=C(\C)/C(=O)CCCCCF 1458a_100016988807_100000729378 [0,2,0,0,0,0|2,0,0]=4 11601 B12R0.114 CC/C=C(\C)/C(=O)CCCCCO 1458a_100016988807_100000746330 [0,2,0,0,0,0|2,0,0]=4 11602 B12R0.114 CC/C=C(\C)/C(=O)CCCCOC 1458a_100016988807_100000755781 [0,2,0,0,0,0|2,0,0]=4 11603 B12R0.114 CC/C=C(\C)/C(=O)CCCOCC 1458a_100016988807_100012232248 [0,2,0,0,0,0|2,0,0]=4 11604 B12R0.114 CC/C=C(\C)/C(=O)CCOCCC 1458a_100016988807_100011215938 [0,2,0,0,0,0|2,0,0]=4 11605 B12R0.114 CC/C=C(\C)/C(=O)COCCCC 1458a_100016988807_100011995733 [0,2,0,0,0,0|2,0,0]=4 11606 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100016988807 [0,2,0,0,0,0|2,0,0]=4 11607 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100016988807 [0,2,0,0,0,0|2,0,0]=4 11608 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 240690a_100000209983_100016988807 [0,2,0,0,0,0|2,0,0]=4 11609 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 527a_100000209983_100016988807 [0,2,0,0,0,0|2,0,0]=4 11610 B12R0.114 CC/C=C\CCC(=O)C(C)OCC 1458a_100000739345_100015370543 [0,2,0,0,0,0|0,0,2]=4 11611 B12R0.114 CC/C=C\COC(C)C(=O)OCC 34a_100016268518_100011216346 [0,2,0,0,0,0|0,0,2]=4 11612 B12R0.114 CC/C=C\COC(F)C(=O)OCC 34a_100016268518_100000760018 [0,2,0,0,0,0|0,0,2]=4 11613 B12R0.114 CC/C=C\CO[C@@H](C)C(=O)OCC 7a_100000751109_100103147603 [0,2,0,0,0,0|0,0,2]=4 11614 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100011216346_100103147603 [0,2,0,0,0,0|0,0,2]=4 11615 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100103147603_100011216346 [0,2,0,0,0,0|0,0,2]=4 11616 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100000760018_100103147603 [0,2,0,0,0,0|0,0,2]=4 11617 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100103147603_100000760018 [0,2,0,0,0,0|0,0,2]=4 11618 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [0,2,0,0,0,0|1,0,1]=4 11619 B12R0.114 CC=CC(=O)N(C)CCCCCC 11a_106256046315_100000210699 [0,2,0,0,0,0|1,0,1]=4 11620 B12R0.114 CC=CC(=O)N(C)CCCCCC 1626a_106256046315_100000210699 [0,2,0,0,0,0|1,0,1]=4 11621 B12R0.114 CC=CC(=O)N(C)CCCCCC 240690a_106256046315_100000210699 [0,2,0,0,0,0|1,0,1]=4 11622 B12R0.114 CCC#CCOC(C)C(=O)OCC 34a_100000032950_100011216346 [0,2,0,0,0,0|0,0,2]=4 11623 B12R0.114 CCC#CCOC(F)C(=O)OCC 34a_100000032950_100000760018 [0,2,0,0,0,0|0,0,2]=4 11624 B12R0.114 CCC#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100009813939 [0,2,0,0,0,0|0,0,2]=4 11625 B12R0.114 CCC#CCSC(C)C(=O)OCC 62a_100009813939_100011216346 [0,2,0,0,0,0|0,0,2]=4 11626 B12R0.114 CCC#CCSC(C)C(=O)OCC 62a_100011216346_100009813939 [0,2,0,0,0,0|0,0,2]=4 11627 B12R0.114 CCC#CCSC(F)C(=O)OCC 62a_100000760018_100009813939 [0,2,0,0,0,0|0,0,2]=4 11628 B12R0.114 CCC#CCSC(F)C(=O)OCC 62a_100009813939_100000760018 [0,2,0,0,0,0|0,0,2]=4 11629 B12R0.114 CCCC(=O)C(C)OCCOCC 1458a_100000743585_100000210303 [0,2,0,0,0,0|2,0,0]=4 11630 B12R0.114 CCCC(=O)N(C)CCCCCO 240690a_100000722520_100000211992 [0,2,0,0,0,0|2,0,0]=4 11631 B12R0.114 CCCC(C)C(=O)CCCCCF 1458a_100000210906_100000729378 [0,2,0,0,0,0|2,0,0]=4 11632 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100000210906_100000746330 [0,2,0,0,0,0|2,0,0]=4 11633 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100102619762_100000766640 [0,2,0,0,0,0|2,0,0]=4 11634 B12R0.114 CCCC(C)C(=O)CCCCOC 1458a_100000210906_100000755781 [0,2,0,0,0,0|2,0,0]=4 11635 B12R0.114 CCCC(C)C(=O)CCCOCC 1458a_100000210906_100012232248 [0,2,0,0,0,0|2,0,0]=4 11636 B12R0.114 CCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210757 [0,2,0,0,0,0|2,0,0]=4 11637 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,2,0,0,0,0|1,0,0]=3 11638 B12R0.114 CCCCCCC(=O)C(C)CC#N 1458a_100102632555_100009813641 [0,2,0,0,0,0|1,0,1]=4 11639 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [0,2,0,0,0,0|1,0,0]=3 11640 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [0,2,0,0,0,0|1,0,0]=3 11641 B12R0.114 CCCCCCC(=O)C(C)CCO 1458a_100102632555_100009893172 [0,2,0,0,0,0|1,0,0]=3 11642 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100000751857_100000210757 [0,2,0,0,0,0|1,0,0]=3 11643 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100102632555_100000765312 [0,2,0,0,0,0|1,0,0]=3 11644 B12R0.114 CCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210757 [0,2,0,0,0,0|1,0,0]=3 11645 B12R0.114 CCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210757 [0,2,0,0,0,0|0,0,0]=2 11646 B12R0.114 CCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210757 [0,2,0,0,0,0|0,1,0]=3 11647 B12R0.114 CCCCCCC(=O)N(C)CC#N 11a_100000748184_100102632555 [0,2,0,0,0,0|1,0,1]=4 11648 B12R0.114 CCCCCCC(=O)N(C)CC#N 1626a_100000748184_100102632555 [0,2,0,0,0,0|1,0,1]=4 11649 B12R0.114 CCCCCCC(=O)N(C)CCC 11a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 11650 B12R0.114 CCCCCCC(=O)N(C)CCC 1626a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 11651 B12R0.114 CCCCCCC(=O)N(C)CCC 240690a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 11652 B12R0.114 CCCCCCC(=O)N(C)CCC 527a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 11653 B12R0.114 CCCCCCC(=O)N(C)CCO 240690a_100000210263_100102632555 [0,2,0,0,0,0|1,0,0]=3 11654 B12R0.114 CCCCCCC(=O)N(C)CCO 527a_100000210263_100102632555 [0,2,0,0,0,0|1,0,0]=3 11655 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [0,2,0,0,0,0|1,0,0]=3 11656 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,2,0,0,0,0|1,0,0]=3 11657 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,2,0,0,0,0|2,0,0]=4 11658 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,2,0,0,0,0|2,0,0]=4 11659 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [0,2,0,0,0,0|2,0,0]=4 11660 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,2,0,0,0,0|1,0,0]=3 11661 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,2,0,0,0,0|2,0,0]=4 11662 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,2,0,0,0,0|2,0,0]=4 11663 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,2,0,0,0,0|1,0,0]=3 11664 B12R0.114 CCCCCCC(O)C(=O)NNC 22a_100016993582_100011215828 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 11666 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 11667 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 11668 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [0,2,0,0,0,0|1,0,0]=3 11669 B12R0.114 CCCCCCN(C)C(=O)CCO 240690a_106256046315_100011216618 [0,2,0,0,0,0|2,0,0]=4 11670 B12R0.114 CCCCCCN(C)C(=O)COC 11a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 11671 B12R0.114 CCCCCCN(C)C(=O)COC 1626a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 11672 B12R0.114 CCCCCCN(C)C(=O)COC 240690a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 11673 B12R0.114 CCCCCCN(C)C(=O)COC 527a_106256046315_100000210968 [0,2,0,0,0,0|2,0,0]=4 11674 B12R0.114 CCCCCCN(C)C(=O)CSC 11a_106256046315_100000184570 [0,2,0,0,0,0|2,0,0]=4 11675 B12R0.114 CCCCCCN(C)C(=O)CSC 1626a_106256046315_100000184570 [0,2,0,0,0,0|2,0,0]=4 11676 B12R0.114 CCCCCCN(C)C(=O)CSC 240690a_106256046315_100000184570 [0,2,0,0,0,0|2,0,0]=4 11677 B12R0.114 CCCCCCN(C)C(=O)CSC 527a_106256046315_100000184570 [0,2,0,0,0,0|2,0,0]=4 11678 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [0,2,0,0,0,0|1,0,0]=3 11679 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [0,2,0,0,0,0|1,0,0]=3 11680 B12R0.114 CCCCCNC(=O)C(=O)NCC 1626a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 11681 B12R0.114 CCCCCNC(=O)C(=O)NCC 240690a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 11682 B12R0.114 CCCCCNC(=O)C(=O)NCC 527a_100000209983_200011297158 [0,2,0,0,0,0|1,0,1]=4 11683 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [0,2,0,0,0,0|0,0,1]=3 11684 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [0,2,0,0,0,0|0,0,1]=3 11685 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [0,2,0,0,0,0|0,0,1]=3 11686 B12R0.114 CCCCCNC(=O)C(C)CCC 11a_100000209983_100000210906 [0,2,0,0,0,0|2,0,0]=4 11687 B12R0.114 CCCCCNC(=O)C(C)CCC 1626a_100000209983_100000210906 [0,2,0,0,0,0|2,0,0]=4 11688 B12R0.114 CCCCCNC(=O)C(C)CCC 240690a_100000209983_100000210906 [0,2,0,0,0,0|2,0,0]=4 11689 B12R0.114 CCCCCNC(=O)C(C)CCC 527a_100000209983_100000210906 [0,2,0,0,0,0|2,0,0]=4 11690 B12R0.114 CCCCCNC(=O)C(C)COC 11a_100000209983_100000751857 [0,2,0,0,0,0|2,0,0]=4 11691 B12R0.114 CCCCCNC(=O)C(C)COC 1626a_100000209983_100000751857 [0,2,0,0,0,0|2,0,0]=4 11692 B12R0.114 CCCCCNC(=O)C(C)COC 240690a_100000209983_100000751857 [0,2,0,0,0,0|2,0,0]=4 11693 B12R0.114 CCCCCNC(=O)C(C)COC 527a_100000209983_100000751857 [0,2,0,0,0,0|2,0,0]=4 11694 B12R0.114 CCCCCNC(=O)C(C)CSC 11a_100000209983_100000753918 [0,2,0,0,0,0|2,0,0]=4 11695 B12R0.114 CCCCCNC(=O)C(C)CSC 1626a_100000209983_100000753918 [0,2,0,0,0,0|2,0,0]=4 11696 B12R0.114 CCCCCNC(=O)C(C)CSC 240690a_100000209983_100000753918 [0,2,0,0,0,0|2,0,0]=4 11697 B12R0.114 CCCCCNC(=O)C(C)CSC 527a_100000209983_100000753918 [0,2,0,0,0,0|2,0,0]=4 11698 B12R0.114 CCCCCNC(=O)C(C)NCC 2230a_100015525214_100000735910 [0,2,0,0,0,0|2,0,0]=4 11699 B12R0.114 CCCCCNC(=O)C(C)OCC 11a_100000209983_100000739345 [0,2,0,0,0,0|1,0,0]=3 11700 B12R0.114 CCCCCNC(=O)C(C)OCC 1626a_100000209983_100000739345 [0,2,0,0,0,0|1,0,0]=3 11701 B12R0.114 CCCCCNC(=O)C(C)OCC 240690a_100000209983_100000739345 [0,2,0,0,0,0|1,0,0]=3 11702 B12R0.114 CCCCCNC(=O)C(C)OCC 527a_100000209983_100000739345 [0,2,0,0,0,0|1,0,0]=3 11703 B12R0.114 CCCCCNC(=O)C(C)SCC 11a_100000209983_100000230601 [0,2,0,0,0,0|1,1,0]=4 11704 B12R0.114 CCCCCNC(=O)C(C)SCC 1626a_100000209983_100000230601 [0,2,0,0,0,0|1,1,0]=4 11705 B12R0.114 CCCCCNC(=O)C(C)SCC 240690a_100000209983_100000230601 [0,2,0,0,0,0|1,1,0]=4 11706 B12R0.114 CCCCCNC(=O)C(C)SCC 527a_100000209983_100000230601 [0,2,0,0,0,0|1,1,0]=4 11707 B12R0.114 CCCCCNC(=O)C(C)SCC 62a_100000210202_100000735910 [0,2,0,0,0,0|1,1,0]=4 11708 B12R0.114 CCCCCNC(=O)C(C)SCC 62a_100000735910_100000210202 [0,2,0,0,0,0|1,1,0]=4 11709 B12R0.114 CCCCCNC(=O)N(C)CCC 2708a_100000209983_100000747261 [0,2,0,0,0,0|2,0,0]=4 11710 B12R0.114 CCCCCNC(=O)N(C)CCC 273464a_100000209983_100000747261 [0,2,0,0,0,0|2,0,0]=4 11711 B12R0.114 CCCCCNC(=O)N(C)CCO 2708a_100000209983_100000210263 [0,2,0,0,0,0|2,0,0]=4 11712 B12R0.114 CCCCCNC(=O)N(C)CCO 273464a_100000209983_100000210263 [0,2,0,0,0,0|2,0,0]=4 11713 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 240690a_100000209983_100009822183 [0,2,0,0,0,0|2,0,0]=4 11714 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [0,2,0,0,0,0|1,0,0]=3 11715 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [0,2,0,0,0,0|1,0,0]=3 11716 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [0,2,0,0,0,0|1,0,0]=3 11717 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [0,2,0,0,0,0|0,0,0]=2 11718 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [0,2,0,0,0,0|0,0,0]=2 11719 B12R0.114 CCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210326 [0,2,0,0,0,0|0,1,0]=3 11720 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [0,2,0,0,0,0|1,0,0]=3 11721 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [0,2,0,0,0,0|1,0,0]=3 11722 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [0,2,0,0,0,0|0,0,0]=2 11723 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [0,2,0,0,0,0|0,0,0]=2 11724 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [0,2,0,0,0,0|0,0,0]=2 11725 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [0,2,0,0,0,0|0,0,0]=2 11726 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [0,2,0,0,0,0|0,0,0]=2 11727 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [0,2,0,0,0,0|1,0,0]=3 11728 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [0,2,0,0,0,0|1,0,0]=3 11729 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [0,2,0,0,0,0|0,0,0]=2 11730 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [0,2,0,0,0,0|0,0,0]=2 11731 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [0,2,0,0,0,0|0,0,0]=2 11732 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [0,2,0,0,0,0|0,0,0]=2 11733 B12R0.114 CCCCNN=C(C)C(=O)OCC 4a_100025702795_100000209952 [0,2,0,0,0,0|1,0,1]=4 11734 B12R0.114 CCCCNNC(=O)C(C)OCC 22a_100025702795_100000739345 [0,2,0,0,0,0|2,0,0]=4 11735 B12R0.114 CCCCOCC(=O)C(=O)NCC 1458a_200011297158_100011995733 [0,2,0,0,0,0|1,0,1]=4 11736 B12R0.114 CCCCOCC(=O)C(C)CCC 1458a_100000210906_100011995733 [0,2,0,0,0,0|2,0,0]=4 11737 B12R0.114 CCCCOCC(=O)C(C)CCC 1458a_100000757543_100000766640 [0,2,0,0,0,0|2,0,0]=4 11738 B12R0.114 CCCCOCC(=O)C(C)CCO 1458a_100000757543_100009893172 [0,2,0,0,0,0|2,0,0]=4 11739 B12R0.114 CCCCOCC(=O)C(C)COC 1458a_100000751857_100011995733 [0,2,0,0,0,0|2,0,0]=4 11740 B12R0.114 CCCCOCC(=O)C(C)COC 1458a_100000757543_100000765312 [0,2,0,0,0,0|2,0,0]=4 11741 B12R0.114 CCCCOCC(=O)C(C)CSC 1458a_100000753918_100011995733 [0,2,0,0,0,0|2,0,0]=4 11742 B12R0.114 CCCCOCC(=O)C(C)OCC 1458a_100000739345_100011995733 [0,2,0,0,0,0|1,0,0]=3 11743 B12R0.114 CCCCOCC(=O)C(C)SCC 1458a_100000230601_100011995733 [0,2,0,0,0,0|1,1,0]=4 11744 B12R0.114 CCCCOCC(=O)N(C)CCC 11a_100000747261_100000757543 [0,2,0,0,0,0|2,0,0]=4 11745 B12R0.114 CCCCOCC(=O)N(C)CCC 1626a_100000747261_100000757543 [0,2,0,0,0,0|2,0,0]=4 11746 B12R0.114 CCCCOCC(=O)N(C)CCC 240690a_100000747261_100000757543 [0,2,0,0,0,0|2,0,0]=4 11747 B12R0.114 CCCCOCC(=O)N(C)CCC 527a_100000747261_100000757543 [0,2,0,0,0,0|2,0,0]=4 11748 B12R0.114 CCCCOCC(=O)N(C)CCO 240690a_100000210263_100000757543 [0,2,0,0,0,0|2,0,0]=4 11749 B12R0.114 CCCCOCC(=O)N(C)CCO 527a_100000210263_100000757543 [0,2,0,0,0,0|2,0,0]=4 11750 B12R0.114 CCCCOCC(=O)[C@@H](O)CCC 1458a_100009822183_100011995733 [0,2,0,0,0,0|2,0,0]=4 11751 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [0,2,0,0,0,0|0,0,1]=3 11752 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [0,2,0,0,0,0|0,0,1]=3 11753 B12R0.114 CCCCSCC(=O)C(C)CCC 1458a_100000191162_100000766640 [0,2,0,0,0,0|2,0,0]=4 11754 B12R0.114 CCCCSCC(=O)C(C)CCO 1458a_100000191162_100009893172 [0,2,0,0,0,0|2,0,0]=4 11755 B12R0.114 CCCCSCC(=O)C(C)COC 1458a_100000191162_100000765312 [0,2,0,0,0,0|2,0,0]=4 11756 B12R0.114 CCCCSCC(=O)N(C)CCC 11a_100000747261_100000191162 [0,2,0,0,0,0|2,0,0]=4 11757 B12R0.114 CCCCSCC(=O)N(C)CCC 1626a_100000747261_100000191162 [0,2,0,0,0,0|2,0,0]=4 11758 B12R0.114 CCCCSCC(=O)N(C)CCC 240690a_100000747261_100000191162 [0,2,0,0,0,0|2,0,0]=4 11759 B12R0.114 CCCCSCC(=O)N(C)CCC 527a_100000747261_100000191162 [0,2,0,0,0,0|2,0,0]=4 11760 B12R0.114 CCCCSCC(=O)N(C)CCO 240690a_100000210263_100000191162 [0,2,0,0,0,0|2,0,0]=4 11761 B12R0.114 CCCCSCC(=O)N(C)CCO 527a_100000210263_100000191162 [0,2,0,0,0,0|2,0,0]=4 11762 B12R0.114 CCCN(C)C(=O)CCCCCO 240690a_100000747261_100102619762 [0,2,0,0,0,0|2,0,0]=4 11763 B12R0.114 CCCOCCC(=O)C(=O)NCC 1458a_200011297158_100011215938 [0,2,0,0,0,0|1,0,1]=4 11764 B12R0.114 CCCOCCC(=O)C(C)CCC 1458a_100000210906_100011215938 [0,2,0,0,0,0|2,0,0]=4 11765 B12R0.114 CCCOCCC(=O)C(C)COC 1458a_100000751857_100011215938 [0,2,0,0,0,0|2,0,0]=4 11766 B12R0.114 CCCOCCC(=O)C(C)CSC 1458a_100000753918_100011215938 [0,2,0,0,0,0|2,0,0]=4 11767 B12R0.114 CCCOCCC(=O)C(C)OCC 1458a_100000739345_100011215938 [0,2,0,0,0,0|1,0,0]=3 11768 B12R0.114 CCCOCCC(=O)C(C)SCC 1458a_100000230601_100011215938 [0,2,0,0,0,0|1,1,0]=4 11769 B12R0.114 CCCOCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215938 [0,2,0,0,0,0|2,0,0]=4 11770 B12R0.114 CCC[C@H](O)C(=O)CCCCCF 1458a_100009822183_100000729378 [0,2,0,0,0,0|2,0,0]=4 11771 B12R0.114 CCC[C@H](O)C(=O)CCCCCO 1458a_100009822183_100000746330 [0,2,0,0,0,0|2,0,0]=4 11772 B12R0.114 CCC[C@H](O)C(=O)CCCCOC 1458a_100009822183_100000755781 [0,2,0,0,0,0|2,0,0]=4 11773 B12R0.114 CCC[C@H](O)C(=O)CCCOCC 1458a_100009822183_100012232248 [0,2,0,0,0,0|2,0,0]=4 11774 B12R0.114 CCNC(=O)C(=O)CCCCCF 1458a_200011297158_100000729378 [0,2,0,0,0,0|1,0,1]=4 11775 B12R0.114 CCNC(=O)C(=O)CCCCCO 1458a_200011297158_100000746330 [0,2,0,0,0,0|1,0,1]=4 11776 B12R0.114 CCNC(=O)C(=O)CCCCOC 1458a_200011297158_100000755781 [0,2,0,0,0,0|1,0,1]=4 11777 B12R0.114 CCNC(=O)C(=O)CCCOCC 1458a_200011297158_100012232248 [0,2,0,0,0,0|1,0,1]=4 11778 B12R0.114 CCNC(=O)C(C)NCCCCF 2230a_100000736553_100000729493 [0,2,0,0,0,0|2,0,0]=4 11779 B12R0.114 CCNC(=O)C(C)NCCCCF 34a_100000736553_100000729493 [0,2,0,0,0,0|2,0,0]=4 11780 B12R0.114 CCNC(=O)C(C)NCCCCO 2230a_100000736553_100000210776 [0,2,0,0,0,0|2,0,0]=4 11781 B12R0.114 CCNC(=O)C(C)NCCCCO 2230a_100000750430_100000230173 [0,2,0,0,0,0|2,0,0]=4 11782 B12R0.114 CCNC(=O)C(C)NCCCCO 34a_100000736553_100011216708 [0,2,0,0,0,0|2,0,0]=4 11783 B12R0.114 CCNC(=O)C(C)NCCCCO 34a_100000750430_100000230173 [0,2,0,0,0,0|2,0,0]=4 11784 B12R0.114 CCNC(=O)C(C)NCCCOC 2230a_100000736553_100000740836 [0,2,0,0,0,0|2,0,0]=4 11785 B12R0.114 CCNC(=O)C(C)NCCCOC 34a_100000736553_100000740836 [0,2,0,0,0,0|2,0,0]=4 11786 B12R0.114 CCNC(=O)C(C)NCCCOC 34a_100150723488_100000230173 [0,2,0,0,0,0|2,0,0]=4 11787 B12R0.114 CCNC(=O)C(C)NCCCSC 2230a_100000749238_100000230173 [0,2,0,0,0,0|2,0,0]=4 11788 B12R0.114 CCNC(=O)C(C)NCCOCC 2230a_100000736553_100011215890 [0,2,0,0,0,0|2,0,0]=4 11789 B12R0.114 CCNC(=O)C(C)NCCOCC 2230a_102516460346_100000230173 [0,2,0,0,0,0|2,0,0]=4 11790 B12R0.114 CCNC(=O)C(C)NCCOCC 34a_100000736553_100000210147 [0,2,0,0,0,0|2,0,0]=4 11791 B12R0.114 CCNC(=O)C(C)NCCOCC 34a_102516460346_100000230173 [0,2,0,0,0,0|2,0,0]=4 11792 B12R0.114 CCNC(=O)C(C)NCCSCC 2230a_100000106463_100000230173 [0,2,0,0,0,0|2,0,0]=4 11793 B12R0.114 CCNC(=O)C(C)NCCSCC 2230a_100000736553_100000757381 [0,2,0,0,0,0|2,0,0]=4 11794 B12R0.114 CCNC(=O)C(C)NCCSCC 34a_100000736553_100000757381 [0,2,0,0,0,0|2,0,0]=4 11795 B12R0.114 CCNC(=O)C(C)OCCCCBr 34a_100011216708_100000230173 [0,2,0,0,0,0|2,0,0]=4 11796 B12R0.114 CCNC(=O)C(C)OCCCCCl 34a_100000210776_100000230173 [0,2,0,0,0,0|2,0,0]=4 11797 B12R0.114 CCNC(=O)C(C)OCCCCCl 7a_100000210776_100000230173 [0,2,0,0,0,0|2,0,0]=4 11798 B12R0.114 CCNC(=O)C(C)OCCCCF 34a_100011995726_100000230173 [0,2,0,0,0,0|2,0,0]=4 11799 B12R0.114 CCNC(=O)C(C)OCCCCF 7a_100011995726_100000230173 [0,2,0,0,0,0|2,0,0]=4 11800 B12R0.114 CCNC(=O)C(C)OCCCCI 34a_200012148704_100000230173 [0,2,0,0,0,0|2,0,0]=4 11801 B12R0.114 CCNC(=O)C(C)OCCCCN 34a_100000750430_100000230173 [0,2,0,0,0,0|2,0,0]=4 11802 B12R0.114 CCNC(=O)C(C)OCCCNC 34a_100000213112_100000230173 [0,2,0,0,0,0|2,0,0]=4 11803 B12R0.114 CCNC(=O)C(C)OCCCOC 34a_100000740835_100000230173 [0,2,0,0,0,0|2,0,0]=4 11804 B12R0.114 CCNC(=O)C(C)OCCCSC 34a_100000690336_100000230173 [0,2,0,0,0,0|2,0,0]=4 11805 B12R0.114 CCNC(=O)C(C)OCCCSC 7a_100000690336_100000230173 [0,2,0,0,0,0|2,0,0]=4 11806 B12R0.114 CCNC(=O)C(C)OCCOCC 11a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 11807 B12R0.114 CCNC(=O)C(C)OCCOCC 240690a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 11808 B12R0.114 CCNC(=O)C(C)OCCOCC 34a_100000210136_100000230173 [0,2,0,0,0,0|2,0,0]=4 11809 B12R0.114 CCNC(=O)C(C)OCCOCC 527a_100015525214_100000743585 [0,2,0,0,0,0|2,0,0]=4 11810 B12R0.114 CCNC(=O)C(C)OCCOCC 7a_100000210136_100000230173 [0,2,0,0,0,0|2,0,0]=4 11811 B12R0.114 CCNC(=O)C(C)OCCSCC 34a_100000212035_100000230173 [0,2,0,0,0,0|2,0,0]=4 11812 B12R0.114 CCNC(=O)C(C)OCCSCC 7a_100000212035_100000230173 [0,2,0,0,0,0|2,0,0]=4 11813 B12R0.114 CCNC(=O)C(C)SCCCCF 62a_100000230173_100000729493 [0,2,0,0,0,0|2,0,0]=4 11814 B12R0.114 CCNC(=O)C(C)SCCCCF 62a_100000729493_100000230173 [0,2,0,0,0,0|2,0,0]=4 11815 B12R0.114 CCNC(=O)C(C)SCCCCO 62a_100000210776_100000230173 [0,2,0,0,0,0|2,0,0]=4 11816 B12R0.114 CCNC(=O)C(C)SCCCCO 62a_100000230173_100000210776 [0,2,0,0,0,0|2,0,0]=4 11817 B12R0.114 CCNC(=O)C(C)SCCCOC 62a_100000230173_100000709357 [0,2,0,0,0,0|2,0,0]=4 11818 B12R0.114 CCNC(=O)C(C)SCCCOC 62a_100000709357_100000230173 [0,2,0,0,0,0|2,0,0]=4 11819 B12R0.114 CCNC(=O)C(C)SCCOCC 62a_100000210147_100000230173 [0,2,0,0,0,0|2,0,0]=4 11820 B12R0.114 CCNC(=O)C(C)SCCOCC 62a_100000230173_100011215890 [0,2,0,0,0,0|2,0,0]=4 11821 B12R0.114 CCNC(=O)C(C)SCCSCC 62a_100000230173_100000757381 [0,2,0,0,0,0|2,0,0]=4 11822 B12R0.114 CCNC(=O)C(C)SCCSCC 62a_100000757381_100000230173 [0,2,0,0,0,0|2,0,0]=4 11823 B12R0.114 CCNC(=O)N(C)CCCCCO 2708a_100015525214_100000722520 [0,2,0,0,0,0|2,0,0]=4 11824 B12R0.114 CCNC(=O)N(C)CCCCCO 273464a_100015525214_100000722520 [0,2,0,0,0,0|2,0,0]=4 11825 B12R0.114 CCOC(=O)C(=O)CSCCCF 62a_100000211299_100011934791 [0,2,0,0,0,0|1,0,1]=4 11826 B12R0.114 CCOC(=O)C(=O)CSCCCF 62a_100011934791_100000211299 [0,2,0,0,0,0|1,0,1]=4 11827 B12R0.114 CCOC(=O)C(=O)CSCCCO 62a_100000211299_100011215043 [0,2,0,0,0,0|1,0,1]=4 11828 B12R0.114 CCOC(=O)C(=O)CSCCCO 62a_100011215043_100000211299 [0,2,0,0,0,0|1,0,1]=4 11829 B12R0.114 CCOC(=O)C(=O)CSCCOC 62a_100000211299_100000233755 [0,2,0,0,0,0|1,0,1]=4 11830 B12R0.114 CCOC(=O)C(=O)CSCCOC 62a_100000233755_100000211299 [0,2,0,0,0,0|1,0,1]=4 11831 B12R0.114 CCOC(=O)C(=O)CSCCSC 62a_100000211299_100000751147 [0,2,0,0,0,0|1,0,1]=4 11832 B12R0.114 CCOC(=O)C(=O)CSCCSC 62a_100000212216_100000211299 [0,2,0,0,0,0|1,0,1]=4 11833 B12R0.114 CCOC(=O)C(=O)NCCCCO 240690a_100000750430_100014798877 [0,2,0,0,0,0|1,0,1]=4 11834 B12R0.114 CCOC(=O)C(=O)NCCCOC 1626a_100150723488_100014798877 [0,2,0,0,0,0|1,0,1]=4 11835 B12R0.114 CCOC(=O)C(=O)NCCCOC 240690a_100150723488_100014798877 [0,2,0,0,0,0|1,0,1]=4 11836 B12R0.114 CCOC(=O)C(=O)NCCCSC 11a_100000749238_100014798877 [0,2,0,0,0,0|1,0,1]=4 11837 B12R0.114 CCOC(=O)C(=O)NCCCSC 1626a_100000749238_100014798877 [0,2,0,0,0,0|1,0,1]=4 11838 B12R0.114 CCOC(=O)C(=O)NCCCSC 240690a_100000749238_100014798877 [0,2,0,0,0,0|1,0,1]=4 11839 B12R0.114 CCOC(=O)C(=O)NCCSCC 11a_100000106463_100014798877 [0,2,0,0,0,0|1,0,1]=4 11840 B12R0.114 CCOC(=O)C(=O)NCCSCC 1626a_100000106463_100014798877 [0,2,0,0,0,0|1,0,1]=4 11841 B12R0.114 CCOC(=O)C(=O)NCCSCC 240690a_100000106463_100014798877 [0,2,0,0,0,0|1,0,1]=4 11842 B12R0.114 CCOC(=O)C(C)NCCCCO 2230a_100000750430_100011215307 [0,2,0,0,0,0|1,0,0]=3 11843 B12R0.114 CCOC(=O)C(C)NCCCCO 34a_100000750430_100011216346 [0,2,0,0,0,0|1,0,0]=3 11844 B12R0.114 CCOC(=O)C(C)NCCCOC 34a_100150723488_100011216346 [0,2,0,0,0,0|1,0,0]=3 11845 B12R0.114 CCOC(=O)C(C)NCCCSC 2230a_100000749238_100011215307 [0,2,0,0,0,0|1,0,0]=3 11846 B12R0.114 CCOC(=O)C(C)NCCSCC 2230a_100000106463_100011215307 [0,2,0,0,0,0|1,0,0]=3 11847 B12R0.114 CCOC(=O)C(C)OCCCCBr 34a_100011216708_100011216346 [0,2,0,0,0,0|1,0,0]=3 11848 B12R0.114 CCOC(=O)C(C)OCCCCCl 34a_100000210776_100011216346 [0,2,0,0,0,0|1,0,0]=3 11849 B12R0.114 CCOC(=O)C(C)OCCCCCl 7a_100000210776_100011216346 [0,2,0,0,0,0|1,0,0]=3 11850 B12R0.114 CCOC(=O)C(C)OCCCCF 34a_100011995726_100011216346 [0,2,0,0,0,0|1,0,0]=3 11851 B12R0.114 CCOC(=O)C(C)OCCCCF 7a_100011995726_100011216346 [0,2,0,0,0,0|1,0,0]=3 11852 B12R0.114 CCOC(=O)C(C)OCCCCI 34a_200012148704_100011216346 [0,2,0,0,0,0|1,0,0]=3 11853 B12R0.114 CCOC(=O)C(C)OCCCCN 34a_100000750430_100011216346 [0,2,0,0,0,0|1,0,0]=3 11854 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [0,2,0,0,0,0|1,0,0]=3 11855 B12R0.114 CCOC(=O)C(C)OCCCOC 34a_100000740835_100011216346 [0,2,0,0,0,0|1,0,0]=3 11856 B12R0.114 CCOC(=O)C(C)OCCCSC 34a_100000690336_100011216346 [0,2,0,0,0,0|1,0,0]=3 11857 B12R0.114 CCOC(=O)C(C)OCCCSC 7a_100000690336_100011216346 [0,2,0,0,0,0|1,0,0]=3 11858 B12R0.114 CCOC(=O)C(C)OCCSCC 34a_100000212035_100011216346 [0,2,0,0,0,0|1,0,0]=3 11859 B12R0.114 CCOC(=O)C(C)OCCSCC 7a_100000212035_100011216346 [0,2,0,0,0,0|1,0,0]=3 11860 B12R0.114 CCOC(=O)C(C)SCCCC#N 62a_100000687738_100011216346 [0,2,0,0,0,0|1,0,1]=4 11861 B12R0.114 CCOC(=O)C(C)SCCCC#N 62a_100011216346_100000687738 [0,2,0,0,0,0|1,0,1]=4 11862 B12R0.114 CCOC(=O)C(C)SCCCC=O 62a_100011216346_200011292268 [0,2,0,0,0,0|1,0,1]=4 11863 B12R0.114 CCOC(=O)C(C)SCCCC=O 62a_200011292268_100011216346 [0,2,0,0,0,0|1,0,1]=4 11864 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100000729493_100011216346 [0,2,0,0,0,0|1,0,0]=3 11865 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100011216346_100000729493 [0,2,0,0,0,0|1,0,0]=3 11866 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100000210776_100011216346 [0,2,0,0,0,0|1,0,0]=3 11867 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100011216346_100000210776 [0,2,0,0,0,0|1,0,0]=3 11868 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100000709357_100011216346 [0,2,0,0,0,0|1,0,0]=3 11869 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100011216346_100000709357 [0,2,0,0,0,0|1,0,0]=3 11870 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100000757381_100011216346 [0,2,0,0,0,0|1,0,0]=3 11871 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100011216346_100000757381 [0,2,0,0,0,0|1,0,0]=3 11872 B12R0.114 CCOC(=O)C(F)NCCCCO 2230a_100000750430_100000760018 [0,2,0,0,0,0|1,0,0]=3 11873 B12R0.114 CCOC(=O)C(F)NCCCCO 34a_100000750430_100000760018 [0,2,0,0,0,0|1,0,0]=3 11874 B12R0.114 CCOC(=O)C(F)NCCCOC 34a_100150723488_100000760018 [0,2,0,0,0,0|1,0,0]=3 11875 B12R0.114 CCOC(=O)C(F)NCCCSC 2230a_100000749238_100000760018 [0,2,0,0,0,0|1,0,0]=3 11876 B12R0.114 CCOC(=O)C(F)NCCSCC 2230a_100000106463_100000760018 [0,2,0,0,0,0|1,0,0]=3 11877 B12R0.114 CCOC(=O)C(F)OCCCCBr 34a_100011216708_100000760018 [0,2,0,0,0,0|1,0,0]=3 11878 B12R0.114 CCOC(=O)C(F)OCCCCCl 34a_100000210776_100000760018 [0,2,0,0,0,0|1,0,0]=3 11879 B12R0.114 CCOC(=O)C(F)OCCCCCl 7a_100000210776_100000040065 [0,2,0,0,0,0|1,0,0]=3 11880 B12R0.114 CCOC(=O)C(F)OCCCCF 34a_100011995726_100000760018 [0,2,0,0,0,0|1,0,0]=3 11881 B12R0.114 CCOC(=O)C(F)OCCCCF 7a_100011995726_100000040065 [0,2,0,0,0,0|1,0,0]=3 11882 B12R0.114 CCOC(=O)C(F)OCCCCI 34a_200012148704_100000760018 [0,2,0,0,0,0|1,0,0]=3 11883 B12R0.114 CCOC(=O)C(F)OCCCCN 34a_100000750430_100000760018 [0,2,0,0,0,0|1,0,0]=3 11884 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [0,2,0,0,0,0|1,0,0]=3 11885 B12R0.114 CCOC(=O)C(F)OCCCOC 34a_100000740835_100000760018 [0,2,0,0,0,0|1,0,0]=3 11886 B12R0.114 CCOC(=O)C(F)OCCCSC 34a_100000690336_100000760018 [0,2,0,0,0,0|1,0,0]=3 11887 B12R0.114 CCOC(=O)C(F)OCCCSC 7a_100000690336_100000040065 [0,2,0,0,0,0|1,0,0]=3 11888 B12R0.114 CCOC(=O)C(F)OCCSCC 34a_100000212035_100000760018 [0,2,0,0,0,0|1,0,0]=3 11889 B12R0.114 CCOC(=O)C(F)OCCSCC 7a_100000212035_100000040065 [0,2,0,0,0,0|1,0,0]=3 11890 B12R0.114 CCOC(=O)C(F)SCCCC#N 62a_100000687738_100000760018 [0,2,0,0,0,0|1,0,1]=4 11891 B12R0.114 CCOC(=O)C(F)SCCCC#N 62a_100000760018_100000687738 [0,2,0,0,0,0|1,0,1]=4 11892 B12R0.114 CCOC(=O)C(F)SCCCC=O 62a_100000760018_200011292268 [0,2,0,0,0,0|1,0,1]=4 11893 B12R0.114 CCOC(=O)C(F)SCCCC=O 62a_200011292268_100000760018 [0,2,0,0,0,0|1,0,1]=4 11894 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000729493_100000760018 [0,2,0,0,0,0|1,0,0]=3 11895 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000760018_100000729493 [0,2,0,0,0,0|1,0,0]=3 11896 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000210776_100000760018 [0,2,0,0,0,0|1,0,0]=3 11897 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000760018_100000210776 [0,2,0,0,0,0|1,0,0]=3 11898 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000709357_100000760018 [0,2,0,0,0,0|1,0,0]=3 11899 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000760018_100000709357 [0,2,0,0,0,0|1,0,0]=3 11900 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000757381_100000760018 [0,2,0,0,0,0|1,0,0]=3 11901 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000760018_100000757381 [0,2,0,0,0,0|1,0,0]=3 11902 B12R0.114 CCOC(=O)[C@H](C)OCCCC#N 7a_100000751109_100000687738 [0,2,0,0,0,0|1,0,1]=4 11903 B12R0.114 CCOC(=O)[C@H](C)OCCCC=O 7a_100000751109_200011292268 [0,2,0,0,0,0|1,0,1]=4 11904 B12R0.114 CCOC(=O)[C@H](C)OCCCCF 7a_100000751109_100000729493 [0,2,0,0,0,0|1,0,0]=3 11905 B12R0.114 CCOC(=O)[C@H](C)OCCCCO 7a_100000751109_100000210776 [0,2,0,0,0,0|1,0,0]=3 11906 B12R0.114 CCOC(=O)[C@H](C)OCCCOC 7a_100000751109_100000740836 [0,2,0,0,0,0|1,0,0]=3 11907 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7a_100000751109_100000757381 [0,2,0,0,0,0|1,0,0]=3 11908 B12R0.114 CCOC(C)C(=O)CCCCC#N 1458a_100000739345_100000211819 [0,2,0,0,0,0|1,0,1]=4 11909 B12R0.114 CCOC(C)C(=O)CCCCCF 1458a_100000739345_100000729378 [0,2,0,0,0,0|1,0,0]=3 11910 B12R0.114 CCOC(C)C(=O)CCCCCO 1458a_100000739345_100000746330 [0,2,0,0,0,0|1,0,0]=3 11911 B12R0.114 CCOC(C)C(=O)CCCCOC 1458a_100000739345_100000755781 [0,2,0,0,0,0|1,0,0]=3 11912 B12R0.114 CCOC(C)C(=O)CCOCCO 1458a_100000739345_100011215305 [0,2,0,0,0,0|2,0,0]=4 11913 B12R0.114 CCOC(C)C(=O)NCCCCO 240690a_100000750430_100000739345 [0,2,0,0,0,0|2,0,0]=4 11914 B12R0.114 CCOC(C)C(=O)NCCCCO 527a_100000750430_100000739345 [0,2,0,0,0,0|2,0,0]=4 11915 B12R0.114 CCOC(C)C(=O)NCCCOC 1626a_100150723488_100000739345 [0,2,0,0,0,0|2,0,0]=4 11916 B12R0.114 CCOC(C)C(=O)NCCCOC 240690a_100150723488_100000739345 [0,2,0,0,0,0|2,0,0]=4 11917 B12R0.114 CCOC(C)C(=O)NCCCOC 527a_100150723488_100000739345 [0,2,0,0,0,0|2,0,0]=4 11918 B12R0.114 CCOC(C)C(=O)NCCCSC 11a_100000749238_100000739345 [0,2,0,0,0,0|2,0,0]=4 11919 B12R0.114 CCOC(C)C(=O)NCCCSC 1626a_100000749238_100000739345 [0,2,0,0,0,0|2,0,0]=4 11920 B12R0.114 CCOC(C)C(=O)NCCCSC 240690a_100000749238_100000739345 [0,2,0,0,0,0|2,0,0]=4 11921 B12R0.114 CCOC(C)C(=O)NCCCSC 527a_100000749238_100000739345 [0,2,0,0,0,0|2,0,0]=4 11922 B12R0.114 CCOC(C)C(=O)NCCSCC 11a_100000106463_100000739345 [0,2,0,0,0,0|2,0,0]=4 11923 B12R0.114 CCOC(C)C(=O)NCCSCC 1626a_100000106463_100000739345 [0,2,0,0,0,0|2,0,0]=4 11924 B12R0.114 CCOC(C)C(=O)NCCSCC 240690a_100000106463_100000739345 [0,2,0,0,0,0|2,0,0]=4 11925 B12R0.114 CCOC(C)C(=O)NCCSCC 527a_100000106463_100000739345 [0,2,0,0,0,0|2,0,0]=4 11926 B12R0.114 CCOCCCC(=O)C(C)COC 1458a_100000751857_100012232248 [0,2,0,0,0,0|2,0,0]=4 11927 B12R0.114 CCOCCCC(=O)C(C)CSC 1458a_100000753918_100012232248 [0,2,0,0,0,0|2,0,0]=4 11928 B12R0.114 CCOCCCC(=O)C(C)OCC 1458a_100000739345_100012232248 [0,2,0,0,0,0|1,0,0]=3 11929 B12R0.114 CCOCCCC(=O)C(C)SCC 1458a_100000230601_100012232248 [0,2,0,0,0,0|1,1,0]=4 11930 B12R0.114 CCOCCNC(=O)C(=O)OCC 11a_100011200944_100014798877 [0,2,0,0,0,0|1,0,1]=4 11931 B12R0.114 CCOCCNC(=O)C(=O)OCC 1626a_102516460346_100014798877 [0,2,0,0,0,0|1,0,1]=4 11932 B12R0.114 CCOCCNC(=O)C(=O)OCC 240690a_100011200944_100014798877 [0,2,0,0,0,0|1,0,1]=4 11933 B12R0.114 CCOCCNC(=O)C(C)OCC 11a_100011200944_100000739345 [0,2,0,0,0,0|2,0,0]=4 11934 B12R0.114 CCOCCNC(=O)C(C)OCC 1626a_102516460346_100000739345 [0,2,0,0,0,0|2,0,0]=4 11935 B12R0.114 CCOCCNC(=O)C(C)OCC 240690a_100011200944_100000739345 [0,2,0,0,0,0|2,0,0]=4 11936 B12R0.114 CCOCCNC(=O)C(C)OCC 527a_100011200944_100000739345 [0,2,0,0,0,0|2,0,0]=4 11937 B12R0.114 CCOCCNC(C)C(=O)OCC 2230a_102516460346_100011215307 [0,2,0,0,0,0|1,0,0]=3 11938 B12R0.114 CCOCCNC(C)C(=O)OCC 34a_102516460346_100011216346 [0,2,0,0,0,0|1,0,0]=3 11939 B12R0.114 CCOCCNC(F)C(=O)OCC 2230a_102516460346_100000760018 [0,2,0,0,0,0|1,0,0]=3 11940 B12R0.114 CCOCCNC(F)C(=O)OCC 34a_102516460346_100000760018 [0,2,0,0,0,0|1,0,0]=3 11941 B12R0.114 CCOCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011215890 [0,2,0,0,0,0|1,1,0]=4 11942 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [0,2,0,0,0,0|1,0,0]=3 11943 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [0,2,0,0,0,0|1,0,0]=3 11944 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [0,2,0,0,0,0|1,0,0]=3 11945 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [0,2,0,0,0,0|1,0,0]=3 11946 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [0,2,0,0,0,0|1,0,0]=3 11947 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100000210147_100011216346 [0,2,0,0,0,0|1,0,0]=3 11948 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100011216346_100011215890 [0,2,0,0,0,0|1,0,0]=3 11949 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000210147_100000760018 [0,2,0,0,0,0|1,0,0]=3 11950 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000760018_100011215890 [0,2,0,0,0,0|1,0,0]=3 11951 B12R0.114 CCOCSCC(=O)C(=O)OCC 62a_100000211299_100000739092 [0,2,0,0,0,0|1,0,1]=4 11952 B12R0.114 CCOCSCC(=O)C(=O)OCC 62a_100000739092_100000211299 [0,2,0,0,0,0|1,0,1]=4 11953 B12R0.114 CCSC(=O)[C@H](C)NCCCCF 2230a_100103168634_100000729493 [0,2,0,0,0,0|1,1,0]=4 11954 B12R0.114 CCSC(=O)[C@H](C)NCCCCO 2230a_100103168634_100000210776 [0,2,0,0,0,0|1,1,0]=4 11955 B12R0.114 CCSC(=O)[C@H](C)NCCCOC 2230a_100103168634_100000740836 [0,2,0,0,0,0|1,1,0]=4 11956 B12R0.114 CCSC(C)C(=O)CCCCCF 1458a_100000230601_100000729378 [0,2,0,0,0,0|1,1,0]=4 11957 B12R0.114 CCSC(C)C(=O)CCCCCO 1458a_100000230601_100000746330 [0,2,0,0,0,0|1,1,0]=4 11958 B12R0.114 CCSC(C)C(=O)CCCCOC 1458a_100000230601_100000755781 [0,2,0,0,0,0|1,1,0]=4 11959 B12R0.114 CCSCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000757381 [0,2,0,0,0,0|1,1,0]=4 11960 B12R0.114 CN(CCO)C(=O)CCCCCO 240690a_100000210263_100102619762 [0,2,0,0,0,0|2,0,0]=4 11961 B12R0.114 COCC(C)C(=O)CCCCCF 1458a_100000751857_100000729378 [0,2,0,0,0,0|2,0,0]=4 11962 B12R0.114 COCC(C)C(=O)CCCCCO 1458a_100000751857_100000746330 [0,2,0,0,0,0|2,0,0]=4 11963 B12R0.114 COCC(C)C(=O)CCCCCO 1458a_100102619762_100000765312 [0,2,0,0,0,0|2,0,0]=4 11964 B12R0.114 COCCCCC(=O)C(C)COC 1458a_100000751857_100000755781 [0,2,0,0,0,0|2,0,0]=4 11965 B12R0.114 COCCCCC(=O)C(C)CSC 1458a_100000753918_100000755781 [0,2,0,0,0,0|2,0,0]=4 11966 B12R0.114 CSCC(C)C(=O)CCCCCF 1458a_100000753918_100000729378 [0,2,0,0,0,0|2,0,0]=4 11967 B12R0.114 CSCC(C)C(=O)CCCCCO 1458a_100000753918_100000746330 [0,2,0,0,0,0|2,0,0]=4 11968 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [0,2,0,0,0,0|1,0,1]=4 11969 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [0,2,0,0,0,0|1,0,1]=4 11970 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,2,0,0,0,0|1,0,1]=4 11971 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,2,0,0,0,0|1,0,1]=4 11972 B12R0.121 CCCCCNCC(CC)OCC 2230a_100015183923_100000210326 [0,2,0,0,0,0|1,0,1]=4 11973 B12R0.121 CCCCCNCC(CC)OCC 34a_100015183923_100000718602 [0,2,0,0,0,0|1,0,1]=4 11974 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,2,0,0,0,0|1,0,1]=4 11975 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,2,0,0,0,0|1,0,1]=4 11976 B12R0.206 C#CCCC(=O)CCCCCCF 1458a_100000692101_100015922095 [0,2,0,0,0,0|1,0,1]=4 11977 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,2,0,0,0,0|1,0,1]=4 11978 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,2,0,0,0,0|1,0,1]=4 11979 B12R0.206 C#CCCC(=O)CCCCCOC 1458a_100011935119_100000753159 [0,2,0,0,0,0|1,0,1]=4 11980 B12R0.206 C#CCCC(=O)CCOCCCC 1458a_100000692101_100000743108 [0,2,0,0,0,0|1,0,1]=4 11981 B12R0.206 C#CCCC(=O)CCOCCCC 34a_100011064465_100000210210 [0,2,0,0,0,0|1,0,1]=4 11982 B12R0.206 C#CCCC(=O)CCOCCCC 7a_100011064465_100000210211 [0,2,0,0,0,0|1,0,1]=4 11983 B12R0.206 C#CCCC(=O)NCCCCCC 11a_100000210581_100000692101 [0,2,0,0,0,0|1,0,1]=4 11984 B12R0.206 C#CCCC(=O)NCCCCCC 1626a_100000210581_100000692101 [0,2,0,0,0,0|1,0,1]=4 11985 B12R0.206 C#CCCC(=O)NCCCCCC 240690a_100000210581_100000692101 [0,2,0,0,0,0|1,0,1]=4 11986 B12R0.206 C#CCCC(=O)NCCCCCC 527a_100000210581_100000692101 [0,2,0,0,0,0|1,0,1]=4 11987 B12R0.206 C#CCCCCCC(=O)C#CCC 1458a_100011827653_100012094781 [0,2,0,0,0,0|1,0,1]=4 11988 B12R0.206 C#CCCCCCC(=O)C=CCC 1458a_100000212282_100012094781 [0,2,0,0,0,0|1,0,1]=4 11989 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,2,0,0,0,0|1,0,1]=4 11990 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,2,0,0,0,0|1,0,1]=4 11991 B12R0.206 C#CCCCCCC(=O)CCCF 1458a_100000694772_100011934791 [0,2,0,0,0,0|1,0,1]=4 11992 B12R0.206 C#CCCCCCC(=O)CCCO 1458a_100000694772_100011215043 [0,2,0,0,0,0|1,0,1]=4 11993 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000694772_100000233755 [0,2,0,0,0,0|1,0,1]=4 11994 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000749529_100012094781 [0,2,0,0,0,0|1,0,1]=4 11995 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000174002_100012094781 [0,2,0,0,0,0|1,0,1]=4 11996 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000694772_100000751147 [0,2,0,0,0,0|1,0,1]=4 11997 B12R0.206 C#CCCCCCC(=O)COCC 1458a_100000211967_100012094781 [0,2,0,0,0,0|0,0,1]=3 11998 B12R0.206 C#CCCCCCC(=O)CSCC 1458a_100000230394_100012094781 [0,2,0,0,0,0|0,1,1]=4 11999 B12R0.206 C#CCCCCCC(=O)NCCC 11a_100020643023_100000694772 [0,2,0,0,0,0|1,0,1]=4 12000 B12R0.206 C#CCCCCCC(=O)NCCC 1626a_100020643023_100000694772 [0,2,0,0,0,0|1,0,1]=4 12001 B12R0.206 C#CCCCCCC(=O)NCCC 240690a_100020643023_100000694772 [0,2,0,0,0,0|1,0,1]=4 12002 B12R0.206 C#CCCCCCC(=O)NCCC 527a_100020643023_100000694772 [0,2,0,0,0,0|1,0,1]=4 12003 B12R0.206 C#CCCCCCC(=O)NCCF 11a_100000724931_100000694772 [0,2,0,0,0,0|1,0,1]=4 12004 B12R0.206 C#CCCCCCC(=O)NCCF 1626a_100000724931_100000694772 [0,2,0,0,0,0|1,0,1]=4 12005 B12R0.206 C#CCCCCCC(=O)NCCF 240690a_100000724931_100000694772 [0,2,0,0,0,0|1,0,1]=4 12006 B12R0.206 C#CCCCCCC(=O)NCCF 527a_100000724931_100000694772 [0,2,0,0,0,0|1,0,1]=4 12007 B12R0.206 C#CCCCCCC(=O)NCCO 240690a_100000210304_100000694772 [0,2,0,0,0,0|1,0,1]=4 12008 B12R0.206 C#CCCCCCC(=O)NCCO 527a_100000210304_100000694772 [0,2,0,0,0,0|1,0,1]=4 12009 B12R0.206 C#CCCCCCC(=O)NNCC 22a_100000756455_100000694772 [0,2,0,0,0,0|1,0,1]=4 12010 B12R0.206 C#CCCCCNC(=O)COCC 11a_100000706060_100000211967 [0,2,0,0,0,0|0,0,2]=4 12011 B12R0.206 C#CCCCCNC(=O)COCC 1626a_100000706060_100000211967 [0,2,0,0,0,0|0,0,2]=4 12012 B12R0.206 C#CCCCCNC(=O)COCC 240690a_100000706060_100000211967 [0,2,0,0,0,0|0,0,2]=4 12013 B12R0.206 C#CCCCCNC(=O)COCC 527a_100000706060_100000211967 [0,2,0,0,0,0|0,0,2]=4 12014 B12R0.206 C#CCCCNCC(=O)OCCC 34a_100000718082_200011215008 [0,2,0,0,0,0|0,0,2]=4 12015 B12R0.206 C#CCCCOCC(=O)OCCC 34a_100000215630_200011215008 [0,2,0,0,0,0|0,0,2]=4 12016 B12R0.206 C#CCCCOCC(=O)OCCC 7a_100000215630_200011215008 [0,2,0,0,0,0|0,0,2]=4 12017 B12R0.206 C#CCCCSCC(=O)OCCC 62a_100011215417_200011215008 [0,2,0,0,0,0|0,0,2]=4 12018 B12R0.206 C#CCCCSCC(=O)OCCC 62a_200011215008_100011215417 [0,2,0,0,0,0|0,0,2]=4 12019 B12R0.206 C#CCNC(=O)CCCCCCC 11a_100000212058_100000211969 [0,2,0,0,0,0|1,0,1]=4 12020 B12R0.206 C#CCNC(=O)CCCCCCC 1626a_100000212058_100000211969 [0,2,0,0,0,0|1,0,1]=4 12021 B12R0.206 C#CCNC(=O)CCCCCCC 240690a_100000212058_100000211969 [0,2,0,0,0,0|1,0,1]=4 12022 B12R0.206 C#CCNC(=O)CCCCCCC 527a_100000212058_100000211969 [0,2,0,0,0,0|1,0,1]=4 12023 B12R0.206 C#CCNC(=O)CCCCCCO 240690a_100000212058_100011996774 [0,2,0,0,0,0|1,0,1]=4 12024 B12R0.206 C#CCNC(=O)CCCCCOC 11a_100000212058_100011935119 [0,2,0,0,0,0|1,0,1]=4 12025 B12R0.206 C#CCNC(=O)CCCCCOC 1626a_100000212058_100011935119 [0,2,0,0,0,0|1,0,1]=4 12026 B12R0.206 C#CCNC(=O)CCCCCOC 240690a_100000212058_100011935119 [0,2,0,0,0,0|1,0,1]=4 12027 B12R0.206 C#CCNC(=O)CCCCCOC 527a_100000212058_100011935119 [0,2,0,0,0,0|1,0,1]=4 12028 B12R0.206 C#CCNC(=O)CNCCCCC 2230a_100000747989_100000210326 [0,2,0,0,0,0|1,0,1]=4 12029 B12R0.206 C#CCNC(=O)CNCCCCC 34a_100000747989_100000718602 [0,2,0,0,0,0|1,0,1]=4 12030 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000210581_100000212058 [0,2,0,0,0,0|1,0,1]=4 12031 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000212058_100000210581 [0,2,0,0,0,0|1,0,1]=4 12032 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000210581_100000212058 [0,2,0,0,0,0|1,0,1]=4 12033 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000212058_100000210581 [0,2,0,0,0,0|1,0,1]=4 12034 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000210581_100000212058 [0,2,0,0,0,0|1,0,1]=4 12035 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000212058_100000210581 [0,2,0,0,0,0|1,0,1]=4 12036 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,2,0,0,0,0|1,0,1]=4 12037 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,2,0,0,0,0|1,0,1]=4 12038 B12R0.206 C/C=C/CC(=O)CCCCCOC 1458a_100011935119_100102629194 [0,2,0,0,0,0|1,0,1]=4 12039 B12R0.206 C/C=C/CCOCC(=O)OCCC 34a_100016278192_200011215008 [0,2,0,0,0,0|0,0,2]=4 12040 B12R0.206 C=C(CNCCCCO)OCOC 34a_100000750430_100000042856 [0,2,0,0,0,0|2,0,0]=4 12041 B12R0.206 C=C(CNCCCOC)OCOC 34a_100150723488_100000042856 [0,2,0,0,0,0|2,0,0]=4 12042 B12R0.206 C=C(CNCCOCC)OCOC 34a_102516460346_100000042856 [0,2,0,0,0,0|2,0,0]=4 12043 B12R0.206 C=C(COCCCCBr)OCOC 34a_100011216708_100000042856 [0,2,0,0,0,0|2,0,0]=4 12044 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,2,0,0,0,0|1,0,0]=3 12045 B12R0.206 C=C(COCCCCCl)OCOC 34a_100000210776_100000042856 [0,2,0,0,0,0|2,0,0]=4 12046 B12R0.206 C=C(COCCCCF)OCOC 34a_100011995726_100000042856 [0,2,0,0,0,0|2,0,0]=4 12047 B12R0.206 C=C(COCCCCI)OCOC 34a_200012148704_100000042856 [0,2,0,0,0,0|2,0,0]=4 12048 B12R0.206 C=C(COCCCCN)OCOC 34a_100000750430_100000042856 [0,2,0,0,0,0|2,0,0]=4 12049 B12R0.206 C=C(COCCCNC)OCOC 34a_100000213112_100000042856 [0,2,0,0,0,0|2,0,0]=4 12050 B12R0.206 C=C(COCCCOC)OCOC 34a_100000740835_100000042856 [0,2,0,0,0,0|2,0,0]=4 12051 B12R0.206 C=C(COCCCSC)OCOC 34a_100000690336_100000042856 [0,2,0,0,0,0|2,0,0]=4 12052 B12R0.206 C=C(COCCOCC)OCOC 34a_100000210136_100000042856 [0,2,0,0,0,0|2,0,0]=4 12053 B12R0.206 C=C(COCCSCC)OCOC 34a_100000212035_100000042856 [0,2,0,0,0,0|2,0,0]=4 12054 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000042856_100000210326 [0,2,0,0,0,0|1,0,0]=3 12055 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000210326_100000042856 [0,2,0,0,0,0|1,0,0]=3 12056 B12R0.206 C=C(CSCCCCF)OCOC 62a_100000042856_100000729493 [0,2,0,0,0,0|2,0,0]=4 12057 B12R0.206 C=C(CSCCCCF)OCOC 62a_100000729493_100000042856 [0,2,0,0,0,0|2,0,0]=4 12058 B12R0.206 C=C(CSCCCCO)OCOC 62a_100000042856_100000210776 [0,2,0,0,0,0|2,0,0]=4 12059 B12R0.206 C=C(CSCCCCO)OCOC 62a_100000210776_100000042856 [0,2,0,0,0,0|2,0,0]=4 12060 B12R0.206 C=C(CSCCCOC)OCOC 62a_100000042856_100000709357 [0,2,0,0,0,0|2,0,0]=4 12061 B12R0.206 C=C(CSCCCOC)OCOC 62a_100000709357_100000042856 [0,2,0,0,0,0|2,0,0]=4 12062 B12R0.206 C=C(CSCCOCC)OCOC 62a_100000042856_100011215890 [0,2,0,0,0,0|2,0,0]=4 12063 B12R0.206 C=C(CSCCOCC)OCOC 62a_100000210147_100000042856 [0,2,0,0,0,0|2,0,0]=4 12064 B12R0.206 C=C(CSCCSCC)OCOC 62a_100000042856_100000757381 [0,2,0,0,0,0|2,0,0]=4 12065 B12R0.206 C=C(CSCCSCC)OCOC 62a_100000757381_100000042856 [0,2,0,0,0,0|2,0,0]=4 12066 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|1,0,1]=4 12067 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|1,0,1]=4 12068 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,2,0,0,0,0|1,0,1]=4 12069 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,2,0,0,0,0|1,0,1]=4 12070 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,2,0,0,0,0|1,0,1]=4 12071 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,2,0,0,0,0|1,0,1]=4 12072 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,2,0,0,0,0|1,0,1]=4 12073 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 12074 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 12075 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 12076 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,2,0,0,0,0|1,0,1]=4 12077 B12R0.206 C=CCCCCCC(=O)C#CCC 1458a_100011827653_100000700193 [0,2,0,0,0,0|1,0,1]=4 12078 B12R0.206 C=CCCCCCC(=O)C=CCC 1458a_100000212282_100000700193 [0,2,0,0,0,0|1,0,1]=4 12079 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,2,0,0,0,0|1,0,1]=4 12080 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,2,0,0,0,0|1,0,1]=4 12081 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,2,0,0,0,0|1,0,1]=4 12082 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,2,0,0,0,0|1,0,1]=4 12083 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,2,0,0,0,0|1,0,1]=4 12084 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,2,0,0,0,0|1,0,1]=4 12085 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,2,0,0,0,0|1,0,1]=4 12086 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,2,0,0,0,0|1,0,1]=4 12087 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,2,0,0,0,0|0,0,1]=3 12088 B12R0.206 C=CCCCCCC(=O)CSCC 1458a_100000230394_100000700193 [0,2,0,0,0,0|0,1,1]=4 12089 B12R0.206 C=CCCCCCC(=O)NCCC 11a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 12090 B12R0.206 C=CCCCCCC(=O)NCCC 1626a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 12091 B12R0.206 C=CCCCCCC(=O)NCCC 240690a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 12092 B12R0.206 C=CCCCCCC(=O)NCCC 527a_100020643023_100011934241 [0,2,0,0,0,0|1,0,1]=4 12093 B12R0.206 C=CCCCCCC(=O)NCCF 11a_100000724931_100011934241 [0,2,0,0,0,0|1,0,1]=4 12094 B12R0.206 C=CCCCCCC(=O)NCCF 1626a_100000724931_100011934241 [0,2,0,0,0,0|1,0,1]=4 12095 B12R0.206 C=CCCCCCC(=O)NCCF 240690a_100000724931_100011934241 [0,2,0,0,0,0|1,0,1]=4 12096 B12R0.206 C=CCCCCCC(=O)NCCF 527a_100000724931_100011934241 [0,2,0,0,0,0|1,0,1]=4 12097 B12R0.206 C=CCCCCCC(=O)NCCO 240690a_100000210304_100011934241 [0,2,0,0,0,0|1,0,1]=4 12098 B12R0.206 C=CCCCCCC(=O)NCCO 527a_100000210304_100011934241 [0,2,0,0,0,0|1,0,1]=4 12099 B12R0.206 C=CCCCCCC(=O)NNCC 22a_100000756455_100011934241 [0,2,0,0,0,0|1,0,1]=4 12100 B12R0.206 C=CCCCCNC(=O)COCC 11a_100000703577_100000211967 [0,2,0,0,0,0|0,0,2]=4 12101 B12R0.206 C=CCCCCNC(=O)COCC 1626a_100000703577_100000211967 [0,2,0,0,0,0|0,0,2]=4 12102 B12R0.206 C=CCCCCNC(=O)COCC 240690a_100000703577_100000211967 [0,2,0,0,0,0|0,0,2]=4 12103 B12R0.206 C=CCCCCNC(=O)COCC 527a_100000703577_100000211967 [0,2,0,0,0,0|0,0,2]=4 12104 B12R0.206 C=CCCCNCC(=O)OCCC 2230a_100000700776_200011215008 [0,2,0,0,0,0|0,0,2]=4 12105 B12R0.206 C=CCCCNCC(=O)OCCC 34a_100000700776_200011215008 [0,2,0,0,0,0|0,0,2]=4 12106 B12R0.206 C=CCCCOCC(=O)OCCC 34a_100000758997_200011215008 [0,2,0,0,0,0|0,0,2]=4 12107 B12R0.206 C=CCCCOCC(=O)OCCC 7a_100000758997_200011215008 [0,2,0,0,0,0|0,0,2]=4 12108 B12R0.206 C=CCCCSCC(=O)OCCC 62a_100011713584_200011215008 [0,2,0,0,0,0|0,0,2]=4 12109 B12R0.206 C=CCCCSCC(=O)OCCC 62a_200011215008_100000757094 [0,2,0,0,0,0|0,0,2]=4 12110 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,2,0,0,0,0|1,0,1]=4 12111 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,2,0,0,0,0|1,0,1]=4 12112 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,2,0,0,0,0|1,0,1]=4 12113 B12R0.206 C=CCNC(=O)CCCCCCO 240690a_100020586998_100011996774 [0,2,0,0,0,0|1,0,1]=4 12114 B12R0.206 C=CCNC(=O)CCCCCOC 1626a_100020586998_100011935119 [0,2,0,0,0,0|1,0,1]=4 12115 B12R0.206 C=CCNC(=O)CCCCCOC 240690a_100020586998_100011935119 [0,2,0,0,0,0|1,0,1]=4 12116 B12R0.206 C=CCNC(=O)CCCCCOC 527a_100020586998_100011935119 [0,2,0,0,0,0|1,0,1]=4 12117 B12R0.206 C=CCNC(=O)CCNCCCC 2230a_100000102301_100011222895 [0,2,0,0,0,0|1,0,1]=4 12118 B12R0.206 C=CCNC(=O)CCNCCCC 7a_106832991798_100011222895 [0,2,0,0,0,0|1,0,1]=4 12119 B12R0.206 C=CCNC(=O)CCOCCCC 7a_100000210227_100011222895 [0,2,0,0,0,0|1,0,1]=4 12120 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100000210211_100011222895 [0,2,0,0,0,0|1,0,1]=4 12121 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100011222895_100000210210 [0,2,0,0,0,0|1,0,1]=4 12122 B12R0.206 C=CCNC(=O)CNCCCCC 2230a_100000209983_100000183597 [0,2,0,0,0,0|1,0,1]=4 12123 B12R0.206 C=CCNC(=O)COCCCCC 7a_100000210253_100000183597 [0,2,0,0,0,0|1,0,1]=4 12124 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000183597_100000210326 [0,2,0,0,0,0|1,0,1]=4 12125 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000210326_100000183597 [0,2,0,0,0,0|1,0,1]=4 12126 B12R0.206 C=CCNC(=O)NCCCCCC 2708a_100000210581_100020586998 [0,2,0,0,0,0|1,0,1]=4 12127 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100000210581_100020586998 [0,2,0,0,0,0|1,0,1]=4 12128 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100020586998_100000210581 [0,2,0,0,0,0|1,0,1]=4 12129 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100000210581_100020586998 [0,2,0,0,0,0|1,0,1]=4 12130 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100020586998_100000210581 [0,2,0,0,0,0|1,0,1]=4 12131 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,2,0,0,0,0|0,0,1]=3 12132 B12R0.206 C=CCOC(=O)CNCCCCO 2230a_100000750430_100000033060 [0,2,0,0,0,0|1,0,1]=4 12133 B12R0.206 C=CCOC(=O)CNCCCCO 34a_100000750430_100000033060 [0,2,0,0,0,0|1,0,1]=4 12134 B12R0.206 C=CCOC(=O)CNCCCOC 34a_100150723488_100000033060 [0,2,0,0,0,0|1,0,1]=4 12135 B12R0.206 C=CCOC(=O)CNCCCSC 2230a_100000749238_100000033060 [0,2,0,0,0,0|1,0,1]=4 12136 B12R0.206 C=CCOC(=O)CNCCOCC 2230a_102516460346_100000033060 [0,2,0,0,0,0|1,0,1]=4 12137 B12R0.206 C=CCOC(=O)CNCCOCC 34a_102516460346_100000033060 [0,2,0,0,0,0|1,0,1]=4 12138 B12R0.206 C=CCOC(=O)CNCCSCC 2230a_100000106463_100000033060 [0,2,0,0,0,0|1,0,1]=4 12139 B12R0.206 C=CCOC(=O)COCCCCBr 34a_100011216708_100000033060 [0,2,0,0,0,0|1,0,1]=4 12140 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,2,0,0,0,0|0,0,1]=3 12141 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,2,0,0,0,0|0,0,1]=3 12142 B12R0.206 C=CCOC(=O)COCCCCCl 34a_100000210776_100000033060 [0,2,0,0,0,0|1,0,1]=4 12143 B12R0.206 C=CCOC(=O)COCCCCCl 7a_100000210776_100000033060 [0,2,0,0,0,0|1,0,1]=4 12144 B12R0.206 C=CCOC(=O)COCCCCF 34a_100011995726_100000033060 [0,2,0,0,0,0|1,0,1]=4 12145 B12R0.206 C=CCOC(=O)COCCCCF 7a_100011995726_100000033060 [0,2,0,0,0,0|1,0,1]=4 12146 B12R0.206 C=CCOC(=O)COCCCCI 34a_200012148704_100000033060 [0,2,0,0,0,0|1,0,1]=4 12147 B12R0.206 C=CCOC(=O)COCCCCN 34a_100000750430_100000033060 [0,2,0,0,0,0|1,0,1]=4 12148 B12R0.206 C=CCOC(=O)COCCCNC 34a_100000213112_100000033060 [0,2,0,0,0,0|1,0,1]=4 12149 B12R0.206 C=CCOC(=O)COCCCOC 34a_100000740835_100000033060 [0,2,0,0,0,0|1,0,1]=4 12150 B12R0.206 C=CCOC(=O)COCCCSC 34a_100000690336_100000033060 [0,2,0,0,0,0|1,0,1]=4 12151 B12R0.206 C=CCOC(=O)COCCCSC 7a_100000690336_100000033060 [0,2,0,0,0,0|1,0,1]=4 12152 B12R0.206 C=CCOC(=O)COCCOCC 34a_100000210136_100000033060 [0,2,0,0,0,0|1,0,1]=4 12153 B12R0.206 C=CCOC(=O)COCCOCC 7a_100000210136_100000033060 [0,2,0,0,0,0|1,0,1]=4 12154 B12R0.206 C=CCOC(=O)COCCSCC 34a_100000212035_100000033060 [0,2,0,0,0,0|1,0,1]=4 12155 B12R0.206 C=CCOC(=O)COCCSCC 7a_100000212035_100000033060 [0,2,0,0,0,0|1,0,1]=4 12156 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,2,0,0,0,0|0,0,1]=3 12157 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,2,0,0,0,0|0,0,1]=3 12158 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000033060_100000729493 [0,2,0,0,0,0|1,0,1]=4 12159 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000729493_100000033060 [0,2,0,0,0,0|1,0,1]=4 12160 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000033060_100000210776 [0,2,0,0,0,0|1,0,1]=4 12161 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000210776_100000033060 [0,2,0,0,0,0|1,0,1]=4 12162 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000033060_100000709357 [0,2,0,0,0,0|1,0,1]=4 12163 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000709357_100000033060 [0,2,0,0,0,0|1,0,1]=4 12164 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000033060_100011215890 [0,2,0,0,0,0|1,0,1]=4 12165 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000210147_100000033060 [0,2,0,0,0,0|1,0,1]=4 12166 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000033060_100000757381 [0,2,0,0,0,0|1,0,1]=4 12167 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000757381_100000033060 [0,2,0,0,0,0|1,0,1]=4 12168 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [0,2,0,0,0,0|1,0,1]=4 12169 B12R0.206 CC#CCC(=O)CCCCCCO 1458a_100011996774_100000748600 [0,2,0,0,0,0|1,0,1]=4 12170 B12R0.206 CC#CCC(=O)CCCCCOC 1458a_100011935119_100000748600 [0,2,0,0,0,0|1,0,1]=4 12171 B12R0.206 CC#CCCOCC(=O)OCCC 34a_100000750427_200011215008 [0,2,0,0,0,0|0,0,2]=4 12172 B12R0.206 CC/C=C\COCC(=O)OCCC 34a_100016268518_200011215008 [0,2,0,0,0,0|0,0,2]=4 12173 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_100103147603_200011215008 [0,2,0,0,0,0|0,0,2]=4 12174 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_200011215008_100103147603 [0,2,0,0,0,0|0,0,2]=4 12175 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,2,0,0,0,0|1,0,1]=4 12176 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,2,0,0,0,0|1,0,1]=4 12177 B12R0.206 CC=CCC(=O)CCCCCCF 1458a_100121576822_100015922095 [0,2,0,0,0,0|1,0,1]=4 12178 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,2,0,0,0,0|1,0,1]=4 12179 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,2,0,0,0,0|1,0,1]=4 12180 B12R0.206 CC=CCC(=O)CCCCCOC 1458a_100011935119_100000070051 [0,2,0,0,0,0|1,0,1]=4 12181 B12R0.206 CC=CCC(=O)CCOCCCC 1458a_100121576822_100000743108 [0,2,0,0,0,0|1,0,1]=4 12182 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,2,0,0,0,0|1,0,1]=4 12183 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,2,0,0,0,0|1,0,1]=4 12184 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,2,0,0,0,0|1,0,1]=4 12185 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,2,0,0,0,0|1,0,1]=4 12186 B12R0.206 CC=NNC(=O)CCCCCCC 4a_100000181853_200000210099 [0,2,0,0,0,0|1,0,1]=4 12187 B12R0.206 CCC#CC(=O)CCCCCC#N 1458a_100011827653_100009813376 [0,2,0,0,0,0|1,0,1]=4 12188 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,2,0,0,0,0|1,0,0]=3 12189 B12R0.206 CCC#CC(=O)CCCCCCF 1458a_100011827653_100015922095 [0,2,0,0,0,0|1,0,0]=3 12190 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [0,2,0,0,0,0|1,0,0]=3 12191 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [0,2,0,0,0,0|1,0,0]=3 12192 B12R0.206 CCC#CC(=O)CCOCCOC 1458a_100011827653_100000695917 [0,2,0,0,0,0|2,0,0]=4 12193 B12R0.206 CCC#CC(=O)NNCCCCC 22a_100000694160_100011827653 [0,2,0,0,0,0|2,0,0]=4 12194 B12R0.206 CCC#CCOCC(=O)OCCC 34a_100000032950_200011215008 [0,2,0,0,0,0|0,0,2]=4 12195 B12R0.206 CCC#CCSCC(=O)OCCC 62a_100009813939_200011215008 [0,2,0,0,0,0|0,0,2]=4 12196 B12R0.206 CCC#CCSCC(=O)OCCC 62a_200011215008_100009813939 [0,2,0,0,0,0|0,0,2]=4 12197 B12R0.206 CCC=CC(=O)CCCCCC#N 1458a_100000212282_100009813376 [0,2,0,0,0,0|1,0,1]=4 12198 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|1,0,0]=3 12199 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [0,2,0,0,0,0|1,0,0]=3 12200 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,2,0,0,0,0|1,0,0]=3 12201 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,2,0,0,0,0|1,0,0]=3 12202 B12R0.206 CCC=CC(=O)CCOCCOC 1458a_100000212282_100000695917 [0,2,0,0,0,0|2,0,0]=4 12203 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,2,0,0,0,0|1,0,0]=3 12204 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,2,0,0,0,0|1,0,0]=3 12205 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,2,0,0,0,0|1,0,0]=3 12206 B12R0.206 CCC=CC(=O)NCCCCCO 240690a_100000762737_100000212282 [0,2,0,0,0,0|2,0,0]=4 12207 B12R0.206 CCC=CC(=O)NCCCOCC 11a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 12208 B12R0.206 CCC=CC(=O)NCCCOCC 1626a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 12209 B12R0.206 CCC=CC(=O)NCCCOCC 240690a_100000210961_100000212282 [0,2,0,0,0,0|2,0,0]=4 12210 B12R0.206 CCC=CC(=O)NCCOCCC 1626a_100161115042_100000212282 [0,2,0,0,0,0|2,0,0]=4 12211 B12R0.206 CCC=CC(=O)NCCOCCC 240690a_100161115042_100000212282 [0,2,0,0,0,0|2,0,0]=4 12212 B12R0.206 CCC=CC(=O)NCCSCCC 11a_100020603323_100000212282 [0,2,0,0,0,0|2,0,0]=4 12213 B12R0.206 CCC=CC(=O)NCCSCCC 240690a_100020603323_100000212282 [0,2,0,0,0,0|2,0,0]=4 12214 B12R0.206 CCC=CC(=O)NNCCCCC 22a_100000694160_100000212282 [0,2,0,0,0,0|2,0,0]=4 12215 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [0,2,0,0,0,0|1,0,1]=4 12216 B12R0.206 CCCC/C=C/CC(=O)CCCF 1458a_200016282684_100011934791 [0,2,0,0,0,0|1,0,1]=4 12217 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [0,2,0,0,0,0|1,0,1]=4 12218 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,2,0,0,0,0|1,0,1]=4 12219 B12R0.206 CCCC/C=C/CC(=O)CCSC 1458a_200016282684_100000751147 [0,2,0,0,0,0|1,0,1]=4 12220 B12R0.206 CCCC/C=C/CC(=O)NCCC 11a_100020643023_200016282684 [0,2,0,0,0,0|1,0,1]=4 12221 B12R0.206 CCCC/C=C/CC(=O)NCCC 1626a_100020643023_200016282684 [0,2,0,0,0,0|1,0,1]=4 12222 B12R0.206 CCCC/C=C/CC(=O)NCCC 240690a_100020643023_200016282684 [0,2,0,0,0,0|1,0,1]=4 12223 B12R0.206 CCCC/C=C/CC(=O)NCCC 527a_100020643023_200016282684 [0,2,0,0,0,0|1,0,1]=4 12224 B12R0.206 CCCC/C=C/CC(=O)NCCF 11a_100000724931_200016282684 [0,2,0,0,0,0|1,0,1]=4 12225 B12R0.206 CCCC/C=C/CC(=O)NCCF 1626a_100000724931_200016282684 [0,2,0,0,0,0|1,0,1]=4 12226 B12R0.206 CCCC/C=C/CC(=O)NCCF 240690a_100000724931_200016282684 [0,2,0,0,0,0|1,0,1]=4 12227 B12R0.206 CCCC/C=C/CC(=O)NCCF 527a_100000724931_200016282684 [0,2,0,0,0,0|1,0,1]=4 12228 B12R0.206 CCCC/C=C/CC(=O)NCCO 240690a_100000210304_200016282684 [0,2,0,0,0,0|1,0,1]=4 12229 B12R0.206 CCCC/C=C/CC(=O)NCCO 527a_100000210304_200016282684 [0,2,0,0,0,0|1,0,1]=4 12230 B12R0.206 CCCC/C=C/CC(=O)NNCC 22a_100000756455_200016282684 [0,2,0,0,0,0|1,0,1]=4 12231 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,2,0,0,0,0|1,0,1]=4 12232 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,2,0,0,0,0|1,0,0]=3 12233 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,2,0,0,0,0|1,0,0]=3 12234 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,2,0,0,0,0|1,0,0]=3 12235 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,2,0,0,0,0|1,0,0]=3 12236 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000210183_100000695917 [0,2,0,0,0,0|2,0,0]=4 12237 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000745395_100000210211 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,2,0,0,0,0|2,0,0]=4 12240 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,2,0,0,0,0|2,0,0]=4 12241 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,2,0,0,0,0|2,0,0]=4 12242 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,2,0,0,0,0|2,0,0]=4 12243 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,2,0,0,0,0|2,0,0]=4 12244 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,2,0,0,0,0|2,0,0]=4 12245 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,2,0,0,0,0|2,0,0]=4 12246 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,2,0,0,0,0|2,0,0]=4 12247 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,2,0,0,0,0|2,0,0]=4 12248 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,2,0,0,0,0|2,0,0]=4 12249 B12R0.206 CCCCC=NNC(=O)COCC 4a_100000216846_100000210104 [0,2,0,0,0,0|1,0,1]=4 12250 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,2,0,0,0,0|1,0,1]=4 12251 B12R0.206 CCCCCC#CC(=O)CCCF 1458a_100011215388_100011934791 [0,2,0,0,0,0|1,0,1]=4 12252 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,2,0,0,0,0|1,0,1]=4 12253 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,2,0,0,0,0|1,0,1]=4 12254 B12R0.206 CCCCCC#CC(=O)CCSC 1458a_100011215388_100000751147 [0,2,0,0,0,0|1,0,1]=4 12255 B12R0.206 CCCCCC#CC(=O)NCCC 240690a_100020643023_100011215388 [0,2,0,0,0,0|1,0,1]=4 12256 B12R0.206 CCCCCC#CC(=O)NCCF 240690a_100000724931_100011215388 [0,2,0,0,0,0|1,0,1]=4 12257 B12R0.206 CCCCCC#CC(=O)NCCO 240690a_100000210304_100011215388 [0,2,0,0,0,0|1,0,1]=4 12258 B12R0.206 CCCCCC#CC(=O)NNCC 22a_100000756455_100011215388 [0,2,0,0,0,0|1,0,1]=4 12259 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,2,0,0,0,0|1,0,1]=4 12260 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,2,0,0,0,0|1,0,1]=4 12261 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,2,0,0,0,0|1,0,1]=4 12262 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,2,0,0,0,0|1,0,1]=4 12263 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,2,0,0,0,0|1,0,1]=4 12264 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,2,0,0,0,0|1,0,1]=4 12265 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,2,0,0,0,0|1,0,1]=4 12266 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,2,0,0,0,0|1,0,1]=4 12267 B12R0.206 CCCCCC=CC(=O)NCCF 11a_100000724931_100016263427 [0,2,0,0,0,0|1,0,1]=4 12268 B12R0.206 CCCCCC=CC(=O)NCCF 1626a_100000724931_100016263427 [0,2,0,0,0,0|1,0,1]=4 12269 B12R0.206 CCCCCC=CC(=O)NCCF 240690a_100000724931_100016263427 [0,2,0,0,0,0|1,0,1]=4 12270 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,2,0,0,0,0|1,0,1]=4 12271 B12R0.206 CCCCCC=CC(=O)NNCC 22a_100000756455_100016263427 [0,2,0,0,0,0|1,0,1]=4 12272 B12R0.206 CCCCCCCC(=NNCC)C 4a_100000756455_100000210596 [0,2,0,0,0,0|2,0,0]=4 12273 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [0,2,0,0,0,0|1,0,1]=4 12274 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,2,0,0,0,0|1,0,1]=4 12275 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,2,0,0,0,0|1,0,1]=4 12276 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,2,0,0,0,0|1,0,1]=4 12277 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|1,0,0]=3 12278 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|1,0,0]=3 12279 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|1,0,0]=3 12280 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|1,0,0]=3 12281 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|1,0,0]=3 12282 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|1,0,0]=3 12283 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|1,0,0]=3 12284 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|1,0,0]=3 12285 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|0,0,0]=2 12286 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,2,0,0,0,0|0,1,0]=3 12287 B12R0.206 CCCCCCCC(=O)NCC#N 1626a_100000734998_100000211969 [0,2,0,0,0,0|1,0,1]=4 12288 B12R0.206 CCCCCCCC(=O)NCC#N 527a_100000734998_100000211969 [0,2,0,0,0,0|1,0,1]=4 12289 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 12290 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 12291 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 12292 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 12293 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 12294 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 12295 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 12296 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,2,0,0,0,0|1,0,0]=3 12297 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,2,0,0,0,0|1,0,0]=3 12298 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,2,0,0,0,0|1,0,0]=3 12299 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,2,0,0,0,0|1,0,0]=3 12300 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|0,0,0]=2 12301 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|0,0,0]=2 12302 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|0,0,0]=2 12303 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|0,0,0]=2 12304 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|0,0,0]=2 12305 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|0,0,0]=2 12306 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,2,0,0,0,0|1,0,1]=4 12307 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,2,0,0,0,0|1,0,1]=4 12308 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 12309 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 12310 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,2,0,0,0,0|1,0,1]=4 12311 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,2,0,0,0,0|1,0,1]=4 12312 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,2,0,0,0,0|1,0,1]=4 12313 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,2,0,0,0,0|1,0,1]=4 12314 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,2,0,0,0,0|1,0,1]=4 12315 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,2,0,0,0,0|1,0,1]=4 12316 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [0,2,0,0,0,0|2,0,0]=4 12317 B12R0.206 CCCCCCNC(=O)C=COC 1626a_100000210581_100016268678 [0,2,0,0,0,0|1,0,1]=4 12318 B12R0.206 CCCCCCNC(=O)C=COC 240690a_100000210581_100016268678 [0,2,0,0,0,0|1,0,1]=4 12319 B12R0.206 CCCCCCNC(=O)CCC#N 11a_100000210581_100011934036 [0,2,0,0,0,0|1,0,1]=4 12320 B12R0.206 CCCCCCNC(=O)CCC#N 1626a_100000210581_100011934036 [0,2,0,0,0,0|1,0,1]=4 12321 B12R0.206 CCCCCCNC(=O)CCC#N 240690a_100000210581_100011934036 [0,2,0,0,0,0|1,0,1]=4 12322 B12R0.206 CCCCCCNC(=O)CCC#N 527a_100000210581_100011934036 [0,2,0,0,0,0|1,0,1]=4 12323 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 12324 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 12325 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 12326 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 12327 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 12328 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 12329 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 12330 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,2,0,0,0,0|1,0,0]=3 12331 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 12332 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 12333 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 12334 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,2,0,0,0,0|1,0,0]=3 12335 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,2,0,0,0,0|1,0,0]=3 12336 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,2,0,0,0,0|0,0,0]=2 12337 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,2,0,0,0,0|0,0,0]=2 12338 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,2,0,0,0,0|0,0,0]=2 12339 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,2,0,0,0,0|0,0,0]=2 12340 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,2,0,0,0,0|0,0,0]=2 12341 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,2,0,0,0,0|0,1,0]=3 12342 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,2,0,0,0,0|0,1,0]=3 12343 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,2,0,0,0,0|0,1,0]=3 12344 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,2,0,0,0,0|0,1,0]=3 12345 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,2,0,0,0,0|0,1,0]=3 12346 B12R0.206 CCCCCCNC(=O)CSCF 62a_100000230325_100015361967 [0,2,0,0,0,0|1,1,0]=4 12347 B12R0.206 CCCCCCNC(=O)NCC#N 2708a_100000734998_100000210581 [0,2,0,0,0,0|1,0,1]=4 12348 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000210581_100000734998 [0,2,0,0,0,0|1,0,1]=4 12349 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000734998_100000210581 [0,2,0,0,0,0|1,0,1]=4 12350 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000210581_100000734998 [0,2,0,0,0,0|1,0,1]=4 12351 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000734998_100000210581 [0,2,0,0,0,0|1,0,1]=4 12352 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 12353 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 12354 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 12355 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 12356 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 12357 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 12358 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,2,0,0,0,0|1,0,0]=3 12359 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,2,0,0,0,0|1,0,0]=3 12360 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,2,0,0,0,0|1,0,0]=3 12361 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,2,0,0,0,0|1,0,0]=3 12362 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 12363 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,2,0,0,0,0|1,0,0]=3 12364 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 12365 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,2,0,0,0,0|1,0,0]=3 12366 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,2,0,0,0,0|1,0,0]=3 12367 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,2,0,0,0,0|1,0,0]=3 12368 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,2,0,0,0,0|1,0,0]=3 12369 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [0,2,0,0,0,0|1,0,1]=4 12370 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [0,2,0,0,0,0|1,0,1]=4 12371 B12R0.206 CCCCCNCC(=O)NCC#N 2230a_100000209983_100000736037 [0,2,0,0,0,0|1,0,1]=4 12372 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,2,0,0,0,0|1,0,0]=3 12373 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,2,0,0,0,0|1,0,0]=3 12374 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,2,0,0,0,0|1,0,0]=3 12375 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,2,0,0,0,0|0,0,0]=2 12376 B12R0.206 CCCCCNCC(C)OCCC 2230a_100015185124_100000210326 [0,2,0,0,0,0|1,0,1]=4 12377 B12R0.206 CCCCCNCC(C)OCCC 34a_100015185124_100000718602 [0,2,0,0,0,0|1,0,1]=4 12378 B12R0.206 CCCCCNCC(O)COCC 2230a_102515437182_100000210326 [0,2,0,0,0,0|0,0,2]=4 12379 B12R0.206 CCCCCNCC(O)COCC 34a_102515437182_100000718602 [0,2,0,0,0,0|0,0,2]=4 12380 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,2,0,0,0,0|2,0,0]=4 12381 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,2,0,0,0,0|2,0,0]=4 12382 B12R0.206 CCCCCNNC(=O)CCSC 22a_100000694160_100000174002 [0,2,0,0,0,0|2,0,0]=4 12383 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,2,0,0,0,0|1,0,0]=3 12384 B12R0.206 CCCCCNNC(=O)CSCC 22a_100000694160_100000230394 [0,2,0,0,0,0|1,1,0]=4 12385 B12R0.206 CCCCCNNC(=O)NCCC 273464a_100020643023_100000694160 [0,2,0,0,0,0|2,0,0]=4 12386 B12R0.206 CCCCCNNC(=O)NCCC 512a_100000694160_100020643023 [0,2,0,0,0,0|2,0,0]=4 12387 B12R0.206 CCCCCNNC(=O)NCCC 512a_100020643023_100000694160 [0,2,0,0,0,0|2,0,0]=4 12388 B12R0.206 CCCCCNNC(=O)NCCF 273464a_100000724931_100000694160 [0,2,0,0,0,0|2,0,0]=4 12389 B12R0.206 CCCCCNNC(=O)NCCF 512a_100000694160_100000724931 [0,2,0,0,0,0|2,0,0]=4 12390 B12R0.206 CCCCCNNC(=O)NCCO 273464a_100000210304_100000694160 [0,2,0,0,0,0|2,0,0]=4 12391 B12R0.206 CCCCCNNC(=O)NCCO 512a_100000694160_100000210304 [0,2,0,0,0,0|2,0,0]=4 12392 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000694160_100000756455 [0,2,0,0,0,0|2,0,0]=4 12393 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000756455_100000694160 [0,2,0,0,0,0|2,0,0]=4 12394 B12R0.206 CCCCCOCC(=O)NCC#N 7a_100000210253_100000736037 [0,2,0,0,0,0|1,0,1]=4 12395 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,2,0,0,0,0|1,0,0]=3 12396 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,2,0,0,0,0|1,0,0]=3 12397 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,2,0,0,0,0|0,0,0]=2 12398 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,2,0,0,0,0|0,0,0]=2 12399 B12R0.206 CCCCCOC[C@@H](C)OCOC 34a_100016172286_100000718602 [0,2,0,0,0,0|1,0,1]=4 12400 B12R0.206 CCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210326 [0,2,0,0,0,0|1,0,1]=4 12401 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000210326_100000736037 [0,2,0,0,0,0|1,0,1]=4 12402 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000736037_100000210326 [0,2,0,0,0,0|1,0,1]=4 12403 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,2,0,0,0,0|1,0,0]=3 12404 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,2,0,0,0,0|1,0,0]=3 12405 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,2,0,0,0,0|0,0,0]=2 12406 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,2,0,0,0,0|0,0,0]=2 12407 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,2,0,0,0,0|1,0,0]=3 12408 B12R0.206 CCCCOCCC(=O)C#CCO 1458a_100000049017_100000743108 [0,2,0,0,0,0|1,0,1]=4 12409 B12R0.206 CCCCOCCC(=O)C=COC 1458a_100016268678_100000743108 [0,2,0,0,0,0|1,0,1]=4 12410 B12R0.206 CCCCOCCC(=O)CCC#N 1458a_100011934036_100000743108 [0,2,0,0,0,0|1,0,1]=4 12411 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,2,0,0,0,0|1,0,0]=3 12412 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,2,0,0,0,0|1,0,0]=3 12413 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,2,0,0,0,0|1,0,0]=3 12414 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,2,0,0,0,0|0,0,0]=2 12415 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [0,2,0,0,0,0|0,1,0]=3 12416 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,2,0,0,0,0|1,0,0]=3 12417 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,2,0,0,0,0|1,0,0]=3 12418 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,2,0,0,0,0|1,0,0]=3 12419 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,2,0,0,0,0|1,0,0]=3 12420 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 12421 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 12422 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 12423 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 12424 B12R0.206 CCCNC(=O)CCCNCCO 2230a_100016997473_100011194427 [0,2,0,0,0,0|2,0,0]=4 12425 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,2,0,0,0,0|1,0,0]=3 12426 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,2,0,0,0,0|1,0,0]=3 12427 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011194427_100011217306 [0,2,0,0,0,0|2,0,0]=4 12428 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011217306_100011194427 [0,2,0,0,0,0|2,0,0]=4 12429 B12R0.206 CCCNC(=O)CCCSCCO 62a_100000211926_100011194427 [0,2,0,0,0,0|2,0,0]=4 12430 B12R0.206 CCCNC(=O)CCCSCCO 62a_100011194427_100000211926 [0,2,0,0,0,0|2,0,0]=4 12431 B12R0.206 CCCNC(=O)CCCSCOC 62a_100000766300_100011194427 [0,2,0,0,0,0|2,0,0]=4 12432 B12R0.206 CCCNC(=O)CCCSCOC 62a_100011194427_100000766300 [0,2,0,0,0,0|2,0,0]=4 12433 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011194427_100011218213 [0,2,0,0,0,0|2,0,0]=4 12434 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011218213_100011194427 [0,2,0,0,0,0|2,0,0]=4 12435 B12R0.206 CCCNC(=O)CCOCCOC 11a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 12436 B12R0.206 CCCNC(=O)CCOCCOC 1626a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 12437 B12R0.206 CCCNC(=O)CCOCCOC 240690a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 12438 B12R0.206 CCCNC(=O)CCOCCOC 527a_100020643023_100000745395 [0,2,0,0,0,0|2,0,0]=4 12439 B12R0.206 CCCNC(=O)CNCCCCF 2230a_100000174927_100000729493 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000174927_100000210776 [0,2,0,0,0,0|2,0,0]=4 12441 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000750430_100000183358 [0,2,0,0,0,0|2,0,0]=4 12442 B12R0.206 CCCNC(=O)CNCCCCO 34a_100000750430_100000183358 [0,2,0,0,0,0|2,0,0]=4 12443 B12R0.206 CCCNC(=O)CNCCCOC 2230a_100000174927_100000740836 [0,2,0,0,0,0|2,0,0]=4 12444 B12R0.206 CCCNC(=O)CNCCCOC 34a_100150723488_100000183358 [0,2,0,0,0,0|2,0,0]=4 12445 B12R0.206 CCCNC(=O)CNCCCSC 2230a_100000749238_100000183358 [0,2,0,0,0,0|2,0,0]=4 12446 B12R0.206 CCCNC(=O)CNCCOCC 2230a_100000174927_100011215890 [0,2,0,0,0,0|2,0,0]=4 12447 B12R0.206 CCCNC(=O)CNCCOCC 2230a_102516460346_100000183358 [0,2,0,0,0,0|2,0,0]=4 12448 B12R0.206 CCCNC(=O)CNCCOCC 34a_102516460346_100000183358 [0,2,0,0,0,0|2,0,0]=4 12449 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000106463_100000183358 [0,2,0,0,0,0|2,0,0]=4 12450 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000174927_100000757381 [0,2,0,0,0,0|2,0,0]=4 12451 B12R0.206 CCCNC(=O)COCCCCBr 34a_100011216708_100000183358 [0,2,0,0,0,0|2,0,0]=4 12452 B12R0.206 CCCNC(=O)COCCCCCl 34a_100000210776_100000183358 [0,2,0,0,0,0|2,0,0]=4 12453 B12R0.206 CCCNC(=O)COCCCCCl 7a_100000210776_100000183358 [0,2,0,0,0,0|2,0,0]=4 12454 B12R0.206 CCCNC(=O)COCCCCF 34a_100011995726_100000183358 [0,2,0,0,0,0|2,0,0]=4 12455 B12R0.206 CCCNC(=O)COCCCCF 7a_100011995726_100000183358 [0,2,0,0,0,0|2,0,0]=4 12456 B12R0.206 CCCNC(=O)COCCCCI 34a_200012148704_100000183358 [0,2,0,0,0,0|2,0,0]=4 12457 B12R0.206 CCCNC(=O)COCCCCN 34a_100000750430_100000183358 [0,2,0,0,0,0|2,0,0]=4 12458 B12R0.206 CCCNC(=O)COCCCNC 34a_100000213112_100000183358 [0,2,0,0,0,0|2,0,0]=4 12459 B12R0.206 CCCNC(=O)COCCCOC 34a_100000740835_100000183358 [0,2,0,0,0,0|2,0,0]=4 12460 B12R0.206 CCCNC(=O)COCCCSC 34a_100000690336_100000183358 [0,2,0,0,0,0|2,0,0]=4 12461 B12R0.206 CCCNC(=O)COCCCSC 7a_100000690336_100000183358 [0,2,0,0,0,0|2,0,0]=4 12462 B12R0.206 CCCNC(=O)COCCOCC 34a_100000210136_100000183358 [0,2,0,0,0,0|2,0,0]=4 12463 B12R0.206 CCCNC(=O)COCCOCC 7a_100000210136_100000183358 [0,2,0,0,0,0|2,0,0]=4 12464 B12R0.206 CCCNC(=O)COCCSCC 34a_100000212035_100000183358 [0,2,0,0,0,0|2,0,0]=4 12465 B12R0.206 CCCNC(=O)COCCSCC 7a_100000212035_100000183358 [0,2,0,0,0,0|2,0,0]=4 12466 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000183358_100000729493 [0,2,0,0,0,0|2,0,0]=4 12467 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000729493_100000183358 [0,2,0,0,0,0|2,0,0]=4 12468 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000183358_100000210776 [0,2,0,0,0,0|2,0,0]=4 12469 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000210776_100000183358 [0,2,0,0,0,0|2,0,0]=4 12470 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000183358_100000709357 [0,2,0,0,0,0|2,0,0]=4 12471 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000709357_100000183358 [0,2,0,0,0,0|2,0,0]=4 12472 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000183358_100011215890 [0,2,0,0,0,0|2,0,0]=4 12473 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000210147_100000183358 [0,2,0,0,0,0|2,0,0]=4 12474 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000183358_100000757381 [0,2,0,0,0,0|2,0,0]=4 12475 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000757381_100000183358 [0,2,0,0,0,0|2,0,0]=4 12476 B12R0.206 CCCNC(=O)NCCCCCO 2708a_100020643023_100000762737 [0,2,0,0,0,0|2,0,0]=4 12477 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100000762737_100020643023 [0,2,0,0,0,0|2,0,0]=4 12478 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100020643023_100000762737 [0,2,0,0,0,0|2,0,0]=4 12479 B12R0.206 CCCNC(=O)NCCCCCO 512a_100000762737_100020643023 [0,2,0,0,0,0|2,0,0]=4 12480 B12R0.206 CCCNC(=O)NCCCCCO 512a_100020643023_100000762737 [0,2,0,0,0,0|2,0,0]=4 12481 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100000210961_100020643023 [0,2,0,0,0,0|2,0,0]=4 12482 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100020643023_100000210961 [0,2,0,0,0,0|2,0,0]=4 12483 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100000210961_100020643023 [0,2,0,0,0,0|2,0,0]=4 12484 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100020643023_100000210961 [0,2,0,0,0,0|2,0,0]=4 12485 B12R0.206 CCCNC(=O)NCCCOCC 512a_100000210961_100020643023 [0,2,0,0,0,0|2,0,0]=4 12486 B12R0.206 CCCNC(=O)NCCCOCC 512a_100020643023_100000210961 [0,2,0,0,0,0|2,0,0]=4 12487 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100020643023_100161115042 [0,2,0,0,0,0|2,0,0]=4 12488 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100161115042_100020643023 [0,2,0,0,0,0|2,0,0]=4 12489 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100020643023_100161115042 [0,2,0,0,0,0|2,0,0]=4 12490 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100161115042_100020643023 [0,2,0,0,0,0|2,0,0]=4 12491 B12R0.206 CCCNC(=O)NCCOCCC 512a_100020643023_100161115042 [0,2,0,0,0,0|2,0,0]=4 12492 B12R0.206 CCCNC(=O)NCCOCCC 512a_100161115042_100020643023 [0,2,0,0,0,0|2,0,0]=4 12493 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020603323_100020643023 [0,2,0,0,0,0|2,0,0]=4 12494 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020643023_100020603323 [0,2,0,0,0,0|2,0,0]=4 12495 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020603323_100020643023 [0,2,0,0,0,0|2,0,0]=4 12496 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020643023_100020603323 [0,2,0,0,0,0|2,0,0]=4 12497 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020603323_100020643023 [0,2,0,0,0,0|2,0,0]=4 12498 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020643023_100020603323 [0,2,0,0,0,0|2,0,0]=4 12499 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,2,0,0,0,0|1,0,0]=3 12500 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,2,0,0,0,0|1,0,0]=3 12501 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,2,0,0,0,0|1,0,0]=3 12502 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,2,0,0,0,0|1,0,0]=3 12503 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,2,0,0,0,0|1,0,0]=3 12504 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,2,0,0,0,0|1,0,0]=3 12505 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,2,0,0,0,0|1,0,0]=3 12506 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,2,0,0,0,0|1,0,0]=3 12507 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,2,0,0,0,0|1,0,0]=3 12508 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,2,0,0,0,0|1,0,0]=3 12509 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,2,0,0,0,0|1,0,0]=3 12510 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,2,0,0,0,0|1,0,0]=3 12511 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,2,0,0,0,0|1,0,0]=3 12512 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,2,0,0,0,0|1,0,0]=3 12513 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,2,0,0,0,0|1,0,0]=3 12514 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,2,0,0,0,0|1,0,0]=3 12515 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,2,0,0,0,0|1,0,0]=3 12516 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,2,0,0,0,0|1,0,0]=3 12517 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,2,0,0,0,0|1,0,0]=3 12518 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,2,0,0,0,0|1,0,0]=3 12519 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,2,0,0,0,0|1,0,0]=3 12520 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,2,0,0,0,0|1,0,0]=3 12521 B12R0.206 CCCOC(=O)CSCCCC#N 62a_100000687738_200011215008 [0,2,0,0,0,0|1,0,1]=4 12522 B12R0.206 CCCOC(=O)CSCCCC#N 62a_200011215008_100000687738 [0,2,0,0,0,0|1,0,1]=4 12523 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011215008_200011292268 [0,2,0,0,0,0|1,0,1]=4 12524 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011292268_200011215008 [0,2,0,0,0,0|1,0,1]=4 12525 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,2,0,0,0,0|1,0,0]=3 12526 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,2,0,0,0,0|1,0,0]=3 12527 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,2,0,0,0,0|1,0,0]=3 12528 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,2,0,0,0,0|1,0,0]=3 12529 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,2,0,0,0,0|1,0,0]=3 12530 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,2,0,0,0,0|1,0,0]=3 12531 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,2,0,0,0,0|1,0,0]=3 12532 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,2,0,0,0,0|1,0,0]=3 12533 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,2,0,0,0,0|1,0,0]=3 12534 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,2,0,0,0,0|1,0,0]=3 12535 B12R0.206 CCCOC(=O)OCNCCCF 34a_100015189416_200000139673 [0,2,0,0,0,0|2,0,0]=4 12536 B12R0.206 CCCOC(=O)OCOCCCBr 34a_100011217188_200000139673 [0,2,0,0,0,0|2,0,0]=4 12537 B12R0.206 CCCOC(=O)OCOCCCCl 34a_100000230001_200000139673 [0,2,0,0,0,0|2,0,0]=4 12538 B12R0.206 CCCOC(=O)OCOCCCF 34a_100000759539_200000139673 [0,2,0,0,0,0|2,0,0]=4 12539 B12R0.206 CCCOC(=O)OCOCCCN 34a_100000182051_200000139673 [0,2,0,0,0,0|2,0,0]=4 12540 B12R0.206 CCCOC(=O)OCOCCOC 34a_100000210237_200000139673 [0,2,0,0,0,0|2,0,0]=4 12541 B12R0.206 CCCOC(=O)OCOCCSC 34a_100000230434_200000139673 [0,2,0,0,0,0|2,0,0]=4 12542 B12R0.206 CCCOC(=O)OCOCCSC 7a_100000230434_200000139673 [0,2,0,0,0,0|2,0,0]=4 12543 B12R0.206 CCCOC(=O)OCSCCCF 62a_100011934791_200000139673 [0,2,0,0,0,0|2,0,0]=4 12544 B12R0.206 CCCOC(=O)OCSCCCO 62a_100011215043_200000139673 [0,2,0,0,0,0|2,0,0]=4 12545 B12R0.206 CCCOC(=O)OCSCCOC 62a_100000233755_200000139673 [0,2,0,0,0,0|2,0,0]=4 12546 B12R0.206 CCCOC(=O)OCSCCSC 62a_100000212216_200000139673 [0,2,0,0,0,0|2,0,0]=4 12547 B12R0.206 CCCOC(=O)OCSCOCC 62a_100000739092_200000139673 [0,2,0,0,0,0|2,0,0]=4 12548 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 12549 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 12550 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 12551 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 12552 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 12553 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 12554 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,2,0,0,0,0|1,0,0]=3 12555 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,2,0,0,0,0|1,0,0]=3 12556 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,2,0,0,0,0|1,0,0]=3 12557 B12R0.206 CCCOCCNC(=O)CSCC 1626a_100161115042_100000230394 [0,2,0,0,0,0|1,1,0]=4 12558 B12R0.206 CCCOCCNC(=O)CSCC 240690a_100161115042_100000230394 [0,2,0,0,0,0|1,1,0]=4 12559 B12R0.206 CCCOCCNC(=O)CSCC 527a_100161115042_100000230394 [0,2,0,0,0,0|1,1,0]=4 12560 B12R0.206 CCCOCCNC(=O)NCCF 2708a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 12561 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100000724931_100161115042 [0,2,0,0,0,0|2,0,0]=4 12562 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 12563 B12R0.206 CCCOCCNC(=O)NCCF 512a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 12564 B12R0.206 CCCOCCNC(=O)NCCO 2708a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 12565 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100000210304_100161115042 [0,2,0,0,0,0|2,0,0]=4 12566 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 12567 B12R0.206 CCCOCCNC(=O)NCCO 512a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 12568 B12R0.206 CCCOCCNC(=O)NNCC 273464a_100161115042_100000756455 [0,2,0,0,0,0|2,0,0]=4 12569 B12R0.206 CCCOCCNC(=O)NNCC 512a_100000756455_100161115042 [0,2,0,0,0,0|2,0,0]=4 12570 B12R0.206 CCCOCCNC(=O)NNCC 512a_100161115042_100000756455 [0,2,0,0,0,0|2,0,0]=4 12571 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 12572 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 12573 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 12574 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 12575 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 12576 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 12577 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,2,0,0,0,0|1,0,0]=3 12578 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,2,0,0,0,0|1,0,0]=3 12579 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,2,0,0,0,0|1,0,0]=3 12580 B12R0.206 CCCSCCNC(=O)CSCC 11a_100020603323_100000230394 [0,2,0,0,0,0|1,1,0]=4 12581 B12R0.206 CCCSCCNC(=O)CSCC 240690a_100020603323_100000230394 [0,2,0,0,0,0|1,1,0]=4 12582 B12R0.206 CCCSCCNC(=O)CSCC 527a_100020603323_100000230394 [0,2,0,0,0,0|1,1,0]=4 12583 B12R0.206 CCCSCCNC(=O)NCCF 2708a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 12584 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100000724931_100020603323 [0,2,0,0,0,0|2,0,0]=4 12585 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 12586 B12R0.206 CCCSCCNC(=O)NCCF 512a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 12587 B12R0.206 CCCSCCNC(=O)NCCO 2708a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 12588 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100000210304_100020603323 [0,2,0,0,0,0|2,0,0]=4 12589 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 12590 B12R0.206 CCCSCCNC(=O)NCCO 512a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 12591 B12R0.206 CCCSCCNC(=O)NNCC 273464a_100020603323_100000756455 [0,2,0,0,0,0|2,0,0]=4 12592 B12R0.206 CCCSCCNC(=O)NNCC 512a_100000756455_100020603323 [0,2,0,0,0,0|2,0,0]=4 12593 B12R0.206 CCCSCCNC(=O)NNCC 512a_100020603323_100000756455 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.206 CCNNC(=O)CCCCCOC 22a_100000756455_100011935119 [0,2,0,0,0,0|1,0,0]=3 12595 B12R0.206 CCNNC(=O)CCOCCOC 22a_100000756455_100000745395 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.206 CCNNC(=O)NCCCCCO 273464a_100000762737_100000756455 [0,2,0,0,0,0|2,0,0]=4 12597 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000756455_100000762737 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000762737_100000756455 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.206 CCNNC(=O)NCCCOCC 273464a_100000210961_100000756455 [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000210961_100000756455 [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000756455_100000210961 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.206 CCOCC(=O)CCCCCC#N 1458a_100000211967_100009813376 [0,2,0,0,0,0|0,0,1]=3 12603 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,2,0,0,0,0|0,0,0]=2 12604 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,2,0,0,0,0|0,0,0]=2 12605 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [0,2,0,0,0,0|1,0,0]=3 12606 B12R0.206 CCOCC(=O)NCCCCC#N 11a_100000751965_100000211967 [0,2,0,0,0,0|1,0,1]=4 12607 B12R0.206 CCOCC(=O)NCCCCC#N 1626a_100000751965_100000211967 [0,2,0,0,0,0|1,0,1]=4 12608 B12R0.206 CCOCC(=O)NCCCCC#N 240690a_100000751965_100000211967 [0,2,0,0,0,0|1,0,1]=4 12609 B12R0.206 CCOCC(=O)NCCCCC#N 527a_100000751965_100000211967 [0,2,0,0,0,0|1,0,1]=4 12610 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,2,0,0,0,0|1,0,0]=3 12611 B12R0.206 CCOCC(=O)NCCOCCO 240690a_100000211614_100000211967 [0,2,0,0,0,0|2,0,0]=4 12612 B12R0.206 CCOCC(=O)NCCSCCO 240690a_100011219999_100000211967 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.206 CCOCC(=O)NCCSCCO 527a_100011219999_100000211967 [0,2,0,0,0,0|2,0,0]=4 12614 B12R0.206 CCOCC(=O)NNCCCOC 22a_100025702787_100000211967 [0,2,0,0,0,0|2,0,0]=4 12615 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 12616 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 12617 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 12618 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 12619 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 12620 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 12621 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 12622 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 12623 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,2,0,0,0,0|1,0,0]=3 12624 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,2,0,0,0,0|1,0,0]=3 12625 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,2,0,0,0,0|1,0,0]=3 12626 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,2,0,0,0,0|1,0,0]=3 12627 B12R0.206 CCOCCCNC(=O)CSCC 11a_100000210961_100000230394 [0,2,0,0,0,0|1,1,0]=4 12628 B12R0.206 CCOCCCNC(=O)CSCC 1626a_100000210961_100000230394 [0,2,0,0,0,0|1,1,0]=4 12629 B12R0.206 CCOCCCNC(=O)CSCC 240690a_100000210961_100000230394 [0,2,0,0,0,0|1,1,0]=4 12630 B12R0.206 CCOCCCNC(=O)CSCC 527a_100000210961_100000230394 [0,2,0,0,0,0|1,1,0]=4 12631 B12R0.206 CCOCCCNC(=O)NCCF 2708a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 12632 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 12633 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000724931_100000210961 [0,2,0,0,0,0|2,0,0]=4 12634 B12R0.206 CCOCCCNC(=O)NCCF 512a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 12635 B12R0.206 CCOCCCNC(=O)NCCO 2708a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 12636 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210304_100000210961 [0,2,0,0,0,0|2,0,0]=4 12637 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.206 CCOCCCNC(=O)NCCO 512a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.206 CCOCCNCC(=O)NCCF 2230a_100000725713_100011215890 [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.206 CCOCCNNC(=O)COCC 22a_100000732670_100000211967 [0,2,0,0,0,0|2,0,0]=4 12641 B12R0.206 CCSCC(=O)CCCCCC#N 1458a_100000230394_100009813376 [0,2,0,0,0,0|0,1,1]=4 12642 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,2,0,0,0,0|0,1,0]=3 12643 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,2,0,0,0,0|0,1,0]=3 12644 B12R0.206 CCSCC(=O)CCOCCOC 1458a_100000230394_100000695917 [0,2,0,0,0,0|1,1,0]=4 12645 B12R0.206 CCSCC(=O)NCCCCCO 240690a_100000762737_100000230394 [0,2,0,0,0,0|1,1,0]=4 12646 B12R0.206 CCSCCNCC(=O)NCCF 2230a_100000725713_100000757381 [0,2,0,0,0,0|2,0,0]=4 12647 B12R0.206 COC=CC(=O)CCCCCCF 1458a_100016268678_100015922095 [0,2,0,0,0,0|1,0,1]=4 12648 B12R0.206 COC=CC(=O)CCCCCCO 1458a_100016268678_100000766143 [0,2,0,0,0,0|1,0,1]=4 12649 B12R0.206 COCCC(=O)CCCCCC#N 1458a_100000749529_100009813376 [0,2,0,0,0,0|1,0,1]=4 12650 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,2,0,0,0,0|1,0,0]=3 12651 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,2,0,0,0,0|1,0,0]=3 12652 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,2,0,0,0,0|1,0,0]=3 12653 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,2,0,0,0,0|2,0,0]=4 12654 B12R0.206 COCCCCCC(=O)CCC#N 1458a_100011935119_100011215226 [0,2,0,0,0,0|1,0,1]=4 12655 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,2,0,0,0,0|1,0,0]=3 12656 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,2,0,0,0,0|1,0,0]=3 12657 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,2,0,0,0,0|1,0,0]=3 12658 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,2,0,0,0,0|1,0,0]=3 12659 B12R0.206 COCCCCCC(=O)NCC#N 1626a_100000734998_100011935119 [0,2,0,0,0,0|1,0,1]=4 12660 B12R0.206 COCCCCCC(=O)NCC#N 527a_100000734998_100011935119 [0,2,0,0,0,0|1,0,1]=4 12661 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [0,2,0,0,0,0|1,0,0]=3 12662 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [0,2,0,0,0,0|1,0,0]=3 12663 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [0,2,0,0,0,0|1,0,0]=3 12664 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [0,2,0,0,0,0|1,0,0]=3 12665 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,2,0,0,0,0|1,0,0]=3 12666 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,2,0,0,0,0|1,0,0]=3 12667 B12R0.206 COCCCNCC(=O)NCCF 2230a_100000725713_100000740836 [0,2,0,0,0,0|2,0,0]=4 12668 B12R0.206 COCCOCCC(=O)CCCF 1458a_100000745395_100011934791 [0,2,0,0,0,0|2,0,0]=4 12669 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,2,0,0,0,0|2,0,0]=4 12670 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000745395_100000233755 [0,2,0,0,0,0|2,0,0]=4 12671 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000749529_100000695917 [0,2,0,0,0,0|2,0,0]=4 12672 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000174002_100000695917 [0,2,0,0,0,0|2,0,0]=4 12673 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000745395_100000751147 [0,2,0,0,0,0|2,0,0]=4 12674 B12R0.206 COCCOCCC(=O)NCCF 11a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 12675 B12R0.206 COCCOCCC(=O)NCCF 1626a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 12676 B12R0.206 COCCOCCC(=O)NCCF 240690a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 12677 B12R0.206 COCCOCCC(=O)NCCF 527a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 12678 B12R0.206 COCCOCCC(=O)NCCO 240690a_100000210304_100000745395 [0,2,0,0,0,0|2,0,0]=4 12679 B12R0.206 COCCOCCC(=O)NCCO 527a_100000210304_100000745395 [0,2,0,0,0,0|2,0,0]=4 12680 B12R0.206 CSCCC(=O)CCCCCC#N 1458a_100000174002_100009813376 [0,2,0,0,0,0|1,0,1]=4 12681 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,2,0,0,0,0|1,0,0]=3 12682 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,2,0,0,0,0|1,0,0]=3 12683 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,2,0,0,0,0|1,0,0]=3 12684 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.206 N#CCCC(=O)CCCCCCF 1458a_100011934036_100015922095 [0,2,0,0,0,0|1,0,1]=4 12686 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,2,0,0,0,0|1,0,1]=4 12687 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,2,0,0,0,0|1,0,1]=4 12688 B12R0.206 O=C(C#CCO)CCCCCCF 1458a_100000049017_100015922095 [0,2,0,0,0,0|1,0,1]=4 12689 B12R0.206 O=C(C#CCO)CCCCCCO 1458a_100000049017_100000766143 [0,2,0,0,0,0|1,0,1]=4 12690 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,2,0,0,0,0|1,0,0]=3 12691 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,2,0,0,0,0|1,0,0]=3 12692 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,2,0,0,0,0|1,0,0]=3 12693 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,2,0,0,0,0|1,0,0]=3 12694 B12R0.206 O=C(CNCCCCF)NCCF 2230a_100000725713_100000729493 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.206 O=C(CNCCCCO)NCCF 2230a_100000725713_100000210776 [0,2,0,0,0,0|2,0,0]=4 12696 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000724931_100000762737 [0,2,0,0,0,0|2,0,0]=4 12697 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000762737_100000724931 [0,2,0,0,0,0|2,0,0]=4 12698 B12R0.206 O=C(NCCF)NCCCCCO 512a_100000762737_100000724931 [0,2,0,0,0,0|2,0,0]=4 12699 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000210304_100000762737 [0,2,0,0,0,0|2,0,0]=4 12700 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 12701 B12R0.206 O=C(NCCO)NCCCCCO 512a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 12702 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000731252 [0,2,0,0,0,0|0,0,2]=4 12703 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000690238_100000188475 [0,2,0,0,0,0|0,0,2]=4 12704 B12R0.239 C#CCCCN(C)CC(=O)OCC 2230a_100000220588_100000731252 [0,2,0,0,0,0|0,0,2]=4 12705 B12R0.239 C#CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000688953 [0,2,0,0,0,0|0,0,2]=4 12706 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100000688953_100009817359 [0,2,0,0,0,0|0,0,2]=4 12707 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100009817359_100000688953 [0,2,0,0,0,0|0,0,2]=4 12708 B12R0.239 C#CCNC[C@@H](O)CC(=O)OCC 34a_100000212058_100000688340 [0,2,0,0,0,0|0,0,2]=4 12709 B12R0.239 C#CCOC[C@@H](O)CC(=O)OCC 34a_100000210247_100000688340 [0,2,0,0,0,0|0,0,2]=4 12710 B12R0.239 C#CCSC[C@@H](O)CC(=O)OCC 62a_100000038162_100000688340 [0,2,0,0,0,0|0,0,2]=4 12711 B12R0.239 C/C=C/CO[C@H](C)CC(=O)OCC 7a_100009816390_100102629194 [0,2,0,0,0,0|0,0,2]=4 12712 B12R0.239 C/C=C/CSC(C)CC(=O)OCC 62a_100009817359_100102629194 [0,2,0,0,0,0|0,0,2]=4 12713 B12R0.239 C/C=C/CSC(C)CC(=O)OCC 62a_100102629194_100009817359 [0,2,0,0,0,0|0,0,2]=4 12714 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,2,0,0,0,0|2,0,0]=4 12715 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000757094 [0,2,0,0,0,0|0,0,2]=4 12716 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000766728_100000188475 [0,2,0,0,0,0|0,0,2]=4 12717 B12R0.239 C=CCCCN(C)CC(=O)OCC 2230a_100000220588_100011713584 [0,2,0,0,0,0|0,0,2]=4 12718 B12R0.239 C=CCCNC(C)CC(=O)OCC 2230a_100015191253_100009817359 [0,2,0,0,0,0|0,0,2]=4 12719 B12R0.239 C=CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000754431 [0,2,0,0,0,0|0,0,2]=4 12720 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100000754431_100009817359 [0,2,0,0,0,0|0,0,2]=4 12721 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100009817359_100000754431 [0,2,0,0,0,0|0,0,2]=4 12722 B12R0.239 C=CCOC[C@@H](O)CC(=O)OCC 34a_200000210373_100000688340 [0,2,0,0,0,0|0,0,2]=4 12723 B12R0.239 C=CCSC[C@@H](O)CC(=O)OCC 62a_100000210623_100000688340 [0,2,0,0,0,0|0,0,2]=4 12724 B12R0.239 C=CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210623 [0,2,0,0,0,0|0,0,2]=4 12725 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,2,0,0,0,0|0,0,2]=4 12726 B12R0.239 C=COC(=O)CN(C)CCCCC 2230a_100000223495_100000036128 [0,2,0,0,0,0|0,0,2]=4 12727 B12R0.239 C=COC(=O)CN(C)CCCCC 269982a_100000223495_100000036128 [0,2,0,0,0,0|0,0,2]=4 12728 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,2,0,0,0,0|1,0,1]=4 12729 B12R0.239 CC#CCNC(C)CC(=O)OCC 2230a_100000685387_100009817359 [0,2,0,0,0,0|0,0,2]=4 12730 B12R0.239 CC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000748600 [0,2,0,0,0,0|0,0,2]=4 12731 B12R0.239 CC#CCSC(C)CC(=O)OCC 62a_100000748600_100009817359 [0,2,0,0,0,0|0,0,2]=4 12732 B12R0.239 CC#CCSC(C)CC(=O)OCC 62a_100009817359_100000748600 [0,2,0,0,0,0|0,0,2]=4 12733 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,2,0,0,0,0|0,0,2]=4 12734 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,2,0,0,0,0|0,0,2]=4 12735 B12R0.239 CC/C=C\CN(C)CC(=O)OCC 2230a_100000220588_100103147603 [0,2,0,0,0,0|0,0,2]=4 12736 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,2,0,0,0,0|1,0,1]=4 12737 B12R0.239 CC=CC(=O)NC(C)CCCCC 11a_100000211957_100000210699 [0,2,0,0,0,0|1,0,1]=4 12738 B12R0.239 CC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000210699 [0,2,0,0,0,0|1,0,1]=4 12739 B12R0.239 CC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000210699 [0,2,0,0,0,0|1,0,1]=4 12740 B12R0.239 CC=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000070051 [0,2,0,0,0,0|0,0,2]=4 12741 B12R0.239 CC=CCSC(C)CC(=O)OCC 62a_100000070051_100009817359 [0,2,0,0,0,0|0,0,2]=4 12742 B12R0.239 CC=CCSC(C)CC(=O)OCC 62a_100009817359_100000070051 [0,2,0,0,0,0|0,0,2]=4 12743 B12R0.239 CCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009813939 [0,2,0,0,0,0|0,0,2]=4 12744 B12R0.239 CCC#CCN(C)CC(=O)OCC 2230a_100000220588_100009813939 [0,2,0,0,0,0|0,0,2]=4 12745 B12R0.239 CCCC#CC(=O)CC(=O)OCC 1458a_200011218047_100000188475 [0,2,0,0,0,0|0,0,2]=4 12746 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,2,0,0,0,0|1,0,1]=4 12747 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,2,0,0,0,0|1,0,1]=4 12748 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,2,0,0,0,0|1,0,1]=4 12749 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,2,0,0,0,0|1,0,1]=4 12750 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,2,0,0,0,0|1,0,1]=4 12751 B12R0.239 CCCC(=O)CN(C)CCCCO 2230a_100000717598_100000747444 [0,2,0,0,0,0|2,0,0]=4 12752 B12R0.239 CCCC(=O)CN(C)CCCCO 269982a_100000717598_100000747444 [0,2,0,0,0,0|2,0,0]=4 12753 B12R0.239 CCCC(=O)CN(C)CCCOC 2230a_100000224831_100000747444 [0,2,0,0,0,0|2,0,0]=4 12754 B12R0.239 CCCC(=O)CN(C)CCCOC 269982a_100000224831_100000747444 [0,2,0,0,0,0|2,0,0]=4 12755 B12R0.239 CCCC=CC(=O)CC(=O)OCC 1458a_100000212230_100000188475 [0,2,0,0,0,0|0,0,2]=4 12756 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,2,0,0,0,0|1,0,0]=3 12757 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,2,0,0,0,0|1,0,0]=3 12758 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|2,0,0]=4 12759 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,2,0,0,0,0|2,0,0]=4 12760 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,2,0,0,0,0|2,0,0]=4 12761 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|1,0,0]=3 12762 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,2,0,0,0,0|2,0,0]=4 12763 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|0,0,0]=2 12764 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|0,0,0]=2 12765 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,2,0,0,0,0|2,0,0]=4 12766 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 12767 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 12768 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 12769 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,2,0,0,0,0|1,0,0]=3 12770 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,2,0,0,0,0|2,0,0]=4 12771 B12R0.239 CCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230335 [0,2,0,0,0,0|2,0,0]=4 12772 B12R0.239 CCCCCC(C)NC(=O)CNC 34a_100102657272_100000230335 [0,2,0,0,0,0|2,0,0]=4 12773 B12R0.239 CCCCCC(C)NC(=O)CNC 7a_106832991635_100000230335 [0,2,0,0,0,0|2,0,0]=4 12774 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 12775 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 12776 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 12777 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,2,0,0,0,0|2,0,0]=4 12778 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,2,0,0,0,0|2,0,0]=4 12779 B12R0.239 CCCCCC(C)NC(=O)CSC 11a_100000211957_100000184570 [0,2,0,0,0,0|2,0,0]=4 12780 B12R0.239 CCCCCC(C)NC(=O)CSC 1626a_100000211957_100000184570 [0,2,0,0,0,0|2,0,0]=4 12781 B12R0.239 CCCCCC(C)NC(=O)CSC 240690a_100000211957_100000184570 [0,2,0,0,0,0|2,0,0]=4 12782 B12R0.239 CCCCCC(C)NC(=O)CSC 527a_100000211957_100000184570 [0,2,0,0,0,0|2,0,0]=4 12783 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_100000230335_200000210301 [0,2,0,0,0,0|2,0,0]=4 12784 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_200000210301_100000230335 [0,2,0,0,0,0|2,0,0]=4 12785 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_100000230335_200025704644 [0,2,0,0,0,0|2,0,0]=4 12786 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230335 [0,2,0,0,0,0|2,0,0]=4 12787 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,2,0,0,0,0|1,0,0]=3 12788 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,2,0,0,0,0|1,0,0]=3 12789 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,2,0,0,0,0|1,0,0]=3 12790 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,2,0,0,0,0|1,0,0]=3 12791 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,2,0,0,0,0|1,0,0]=3 12792 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,2,0,0,0,0|1,0,0]=3 12793 B12R0.239 CCCCCC(C)NC(=O)NNC 273464a_100000211957_100016993582 [0,2,0,0,0,0|2,0,0]=4 12794 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100000211957_100016993582 [0,2,0,0,0,0|2,0,0]=4 12795 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100016993582_100000211957 [0,2,0,0,0,0|2,0,0]=4 12796 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,2,0,0,0,0|2,0,0]=4 12797 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,2,0,0,0,0|2,0,0]=4 12798 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,2,0,0,0,0|2,0,0]=4 12799 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,2,0,0,0,0|2,0,0]=4 12800 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,2,0,0,0,0|2,0,0]=4 12801 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,2,0,0,0,0|2,0,0]=4 12802 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,2,0,0,0,0|2,0,0]=4 12803 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,2,0,0,0,0|2,0,0]=4 12804 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,2,0,0,0,0|1,0,0]=3 12805 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,2,0,0,0,0|1,0,0]=3 12806 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,2,0,0,0,0|1,0,0]=3 12807 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,2,0,0,0,0|1,0,0]=3 12808 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,2,0,0,0,0|1,0,0]=3 12809 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,2,0,0,0,0|1,0,0]=3 12810 B12R0.239 CCCCCN(C)CC(=O)NCO 2230a_100000223495_100000185155 [0,2,0,0,0,0|2,0,0]=4 12811 B12R0.239 CCCCCN(C)CC(=O)NCO 269982a_100000223495_100000185155 [0,2,0,0,0,0|2,0,0]=4 12812 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,2,0,0,0,0|0,0,0]=2 12813 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,2,0,0,0,0|0,0,0]=2 12814 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,2,0,0,0,0|0,0,0]=2 12815 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,2,0,0,0,0|1,0,1]=4 12816 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,2,0,0,0,0|0,0,1]=3 12817 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,2,0,0,0,0|0,0,0]=2 12818 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,2,0,0,0,0|0,0,0]=2 12819 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,2,0,0,0,0|1,0,1]=4 12820 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,2,0,0,0,0|0,0,0]=2 12821 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,2,0,0,0,0|0,0,0]=2 12822 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,2,0,0,0,0|0,0,0]=2 12823 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,2,0,0,0,0|0,0,0]=2 12824 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,2,0,0,0,0|1,0,0]=3 12825 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,2,0,0,0,0|1,0,0]=3 12826 B12R0.239 CCCNNC(=O)CC(=O)OCC 22a_100000740057_100000243816 [0,2,0,0,0,0|1,0,1]=4 12827 B12R0.239 CCCOCC(=CC(=O)OCC)C 34a_100000210258_100135422193 [0,2,0,0,0,0|0,0,2]=4 12828 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,2,0,0,0,0|1,0,1]=4 12829 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,2,0,0,0,0|1,0,1]=4 12830 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,2,0,0,0,0|0,0,1]=3 12831 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,2,0,0,0,0|0,0,0]=2 12832 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100000210303_100135422193 [0,2,0,0,0,0|0,0,2]=4 12833 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210303 [0,2,0,0,0,0|0,0,2]=4 12834 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,2,0,0,0,0|1,0,1]=4 12835 B12R0.239 CCCSCC(=O)CC(=O)NCC 1458a_100000217233_100000183381 [0,2,0,0,0,0|1,0,1]=4 12836 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,2,0,0,0,0|0,0,1]=3 12837 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,2,0,0,0,0|0,0,1]=3 12838 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,2,0,0,0,0|0,0,1]=3 12839 B12R0.239 CCCSCC(=O)NC(=O)OCC 62a_100000210303_100000010344 [0,2,0,0,0,0|1,0,1]=4 12840 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,2,0,0,0,0|0,0,0]=2 12841 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,2,0,0,0,0|0,0,0]=2 12842 B12R0.239 CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183381 [0,2,0,0,0,0|1,0,1]=4 12843 B12R0.239 CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183381 [0,2,0,0,0,0|1,0,1]=4 12844 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [0,2,0,0,0,0|1,0,1]=4 12845 B12R0.239 CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183381 [0,2,0,0,0,0|1,0,1]=4 12846 B12R0.239 CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183381 [0,2,0,0,0,0|1,0,1]=4 12847 B12R0.239 CCNC(=O)CN(C)CCCCF 2230a_100000741943_100000729493 [0,2,0,0,0,0|2,0,0]=4 12848 B12R0.239 CCNC(=O)CN(C)CCCCF 269982a_100000741943_100000729493 [0,2,0,0,0,0|2,0,0]=4 12849 B12R0.239 CCNC(=O)CN(C)CCCCO 2230a_100000717598_100000183381 [0,2,0,0,0,0|2,0,0]=4 12850 B12R0.239 CCNC(=O)CN(C)CCCCO 2230a_100000741943_100000210776 [0,2,0,0,0,0|2,0,0]=4 12851 B12R0.239 CCNC(=O)CN(C)CCCCO 269982a_100000717598_100000183381 [0,2,0,0,0,0|2,0,0]=4 12852 B12R0.239 CCNC(=O)CN(C)CCCCO 269982a_100000741943_100000210776 [0,2,0,0,0,0|2,0,0]=4 12853 B12R0.239 CCNC(=O)CN(C)CCCOC 2230a_100000224831_100000183381 [0,2,0,0,0,0|2,0,0]=4 12854 B12R0.239 CCNC(=O)CN(C)CCCOC 2230a_100000741943_100000740836 [0,2,0,0,0,0|2,0,0]=4 12855 B12R0.239 CCNC(=O)CN(C)CCCOC 269982a_100000224831_100000183381 [0,2,0,0,0,0|2,0,0]=4 12856 B12R0.239 CCNC(=O)CN(C)CCCOC 269982a_100000741943_100000740836 [0,2,0,0,0,0|2,0,0]=4 12857 B12R0.239 CCNC(=O)CN(C)CCOCC 2230a_100000741943_100011215890 [0,2,0,0,0,0|2,0,0]=4 12858 B12R0.239 CCNC(=O)CN(C)CCOCC 269982a_100000741943_100011215890 [0,2,0,0,0,0|2,0,0]=4 12859 B12R0.239 CCNC(=O)CN(C)CCSCC 2230a_100000741943_100000757381 [0,2,0,0,0,0|2,0,0]=4 12860 B12R0.239 CCNC(=O)CN(C)CCSCC 269982a_100000741943_100000757381 [0,2,0,0,0,0|2,0,0]=4 12861 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000188475 [0,2,0,0,0,0|0,0,2]=4 12862 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000243816_100000211468 [0,2,0,0,0,0|0,0,2]=4 12863 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,2,0,0,0,0|0,0,1]=3 12864 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,2,0,0,0,0|0,0,1]=3 12865 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,2,0,0,0,0|0,0,1]=3 12866 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,2,0,0,0,0|0,0,1]=3 12867 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,2,0,0,0,0|0,0,1]=3 12868 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,2,0,0,0,0|0,0,1]=3 12869 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,2,0,0,0,0|0,0,1]=3 12870 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,2,0,0,0,0|0,0,1]=3 12871 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,2,0,0,0,0|1,0,1]=4 12872 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100000210311_100011217306 [0,2,0,0,0,0|1,0,1]=4 12873 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100011217306_100000210311 [0,2,0,0,0,0|1,0,1]=4 12874 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000210311_100000211926 [0,2,0,0,0,0|1,0,1]=4 12875 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000211926_100000210311 [0,2,0,0,0,0|1,0,1]=4 12876 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000210311_100000766300 [0,2,0,0,0,0|1,0,1]=4 12877 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000766300_100000210311 [0,2,0,0,0,0|1,0,1]=4 12878 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100000210311_100011218213 [0,2,0,0,0,0|1,0,1]=4 12879 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100011218213_100000210311 [0,2,0,0,0,0|1,0,1]=4 12880 B12R0.239 CCOC(=O)CC(=O)NCCCF 240690a_100015189416_100000243816 [0,2,0,0,0,0|1,0,1]=4 12881 B12R0.239 CCOC(=O)CC(=O)NCCCO 240690a_100000182051_100000243816 [0,2,0,0,0,0|1,0,1]=4 12882 B12R0.239 CCOC(=O)CC(=O)NCCOC 240690a_100000209980_100000243816 [0,2,0,0,0,0|1,0,1]=4 12883 B12R0.239 CCOC(=O)CC(=O)NCCSC 240690a_100020590264_100000243816 [0,2,0,0,0,0|1,0,1]=4 12884 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,2,0,0,0,0|1,0,0]=3 12885 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,2,0,0,0,0|1,0,0]=3 12886 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,2,0,0,0,0|1,0,0]=3 12887 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,2,0,0,0,0|1,0,0]=3 12888 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100009817359_100011215226 [0,2,0,0,0,0|1,0,1]=4 12889 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100011215226_100009817359 [0,2,0,0,0,0|1,0,1]=4 12890 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,2,0,0,0,0|1,0,0]=3 12891 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,2,0,0,0,0|1,0,0]=3 12892 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,2,0,0,0,0|1,0,0]=3 12893 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,2,0,0,0,0|1,0,0]=3 12894 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,2,0,0,0,0|1,0,0]=3 12895 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,2,0,0,0,0|1,0,0]=3 12896 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,2,0,0,0,0|1,0,0]=3 12897 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,2,0,0,0,0|1,0,0]=3 12898 B12R0.239 CCOC(=O)CN(C)CCCC#N 2230a_100000220588_100000687738 [0,2,0,0,0,0|1,0,1]=4 12899 B12R0.239 CCOC(=O)CN(C)CCCC=O 2230a_100000220588_200011292268 [0,2,0,0,0,0|1,0,1]=4 12900 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,2,0,0,0,0|1,0,0]=3 12901 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,2,0,0,0,0|1,0,0]=3 12902 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,2,0,0,0,0|1,0,0]=3 12903 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,2,0,0,0,0|1,0,0]=3 12904 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,2,0,0,0,0|1,0,0]=3 12905 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,2,0,0,0,0|1,0,0]=3 12906 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,2,0,0,0,0|1,0,0]=3 12907 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,2,0,0,0,0|1,0,0]=3 12908 B12R0.239 CCOC(=O)C[C@@H](C)OCCC#N 7a_100009816390_100000184422 [0,2,0,0,0,0|1,0,1]=4 12909 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,2,0,0,0,0|1,0,0]=3 12910 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,2,0,0,0,0|1,0,0]=3 12911 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,2,0,0,0,0|1,0,0]=3 12912 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,2,0,0,0,0|1,0,0]=3 12913 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [0,2,0,0,0,0|1,0,0]=3 12914 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [0,2,0,0,0,0|1,0,0]=3 12915 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,2,0,0,0,0|1,0,0]=3 12916 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,2,0,0,0,0|1,0,0]=3 12917 B12R0.239 CCOC(=O)C[C@H](O)CSCC#N 62a_100000688340_100011215382 [0,2,0,0,0,0|1,0,1]=4 12918 B12R0.239 CCOC(=O)C[C@H](O)CSCC#N 62a_100011215382_100000688340 [0,2,0,0,0,0|1,0,1]=4 12919 B12R0.239 CCOC(=O)C[C@H](O)CSCC=O 62a_100000688340_200015260668 [0,2,0,0,0,0|1,0,1]=4 12920 B12R0.239 CCOC(=O)C[C@H](O)CSCC=O 62a_200015260668_100000688340 [0,2,0,0,0,0|1,0,1]=4 12921 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [0,2,0,0,0,0|1,0,0]=3 12922 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [0,2,0,0,0,0|1,0,0]=3 12923 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [0,2,0,0,0,0|1,0,0]=3 12924 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [0,2,0,0,0,0|1,0,0]=3 12925 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [0,2,0,0,0,0|1,0,0]=3 12926 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [0,2,0,0,0,0|1,0,0]=3 12927 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [0,2,0,0,0,0|1,0,0]=3 12928 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [0,2,0,0,0,0|1,0,0]=3 12929 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100000036008_100011934791 [0,2,0,0,0,0|2,0,0]=4 12930 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100011934791_100000036008 [0,2,0,0,0,0|2,0,0]=4 12931 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100000036008_100011215043 [0,2,0,0,0,0|2,0,0]=4 12932 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100011215043_100000036008 [0,2,0,0,0,0|2,0,0]=4 12933 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000036008_100000233755 [0,2,0,0,0,0|2,0,0]=4 12934 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000233755_100000036008 [0,2,0,0,0,0|2,0,0]=4 12935 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000036008_100000751147 [0,2,0,0,0,0|2,0,0]=4 12936 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000212216_100000036008 [0,2,0,0,0,0|2,0,0]=4 12937 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,2,0,0,0,0|0,0,1]=3 12938 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,2,0,0,0,0|0,0,1]=3 12939 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,2,0,0,0,0|1,0,0]=3 12940 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,2,0,0,0,0|1,0,0]=3 12941 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,2,0,0,0,0|1,0,0]=3 12942 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000036008_100000739092 [0,2,0,0,0,0|2,0,0]=4 12943 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000739092_100000036008 [0,2,0,0,0,0|2,0,0]=4 12944 B12R0.276 C#CC(=O)CCCCC(=O)OCC 1458a_100000211873_100000750268 [0,2,0,0,0,0|0,0,2]=4 12945 B12R0.276 C#CC(C)NCCCC(=O)OCC 2230a_100000707721_100009991533 [0,2,0,0,0,0|1,0,0]=3 12946 B12R0.276 C#CC(C)NCCCC(=O)OCC 34a_100000707721_100009991533 [0,2,0,0,0,0|1,0,0]=3 12947 B12R0.276 C#CC(C)OCCNC(=O)OCC 34a_100000158857_200000035995 [0,2,0,0,0,0|2,0,0]=4 12948 B12R0.276 C#CC(C)SCCCC(=O)OCC 62a_200000035995_100009991533 [0,2,0,0,0,0|1,0,0]=3 12949 B12R0.276 C#CC(C)SCCNC(=O)OCC 62a_200000035995_200011445536 [0,2,0,0,0,0|2,0,0]=4 12950 B12R0.276 C#C[C@@H](C)OCCCC(=O)OCC 34a_100009815206_100009991533 [0,2,0,0,0,0|1,0,0]=3 12951 B12R0.276 C#C[C@@H](C)OCCCC(=O)OCC 7a_100009815206_100011215271 [0,2,0,0,0,0|1,0,0]=3 12952 B12R0.276 C#C[C@@H](C)OCCNC(=O)OCC 7a_100009815206_200011445536 [0,2,0,0,0,0|2,0,0]=4 12953 B12R0.276 C=CC(=O)CCCCC(=O)OCC 1458a_100000185746_100000750268 [0,2,0,0,0,0|0,0,2]=4 12954 B12R0.276 C=CC(C)COCCC(=O)NCC 7a_100011215527_100000737597 [0,2,0,0,0,0|2,0,0]=4 12955 B12R0.276 C=CC(C)COCCC(=O)OCC 34a_100011215527_100000765890 [0,2,0,0,0,0|1,0,0]=3 12956 B12R0.276 C=CC(C)COCCC(=O)OCC 7a_100011215527_100011206558 [0,2,0,0,0,0|1,0,0]=3 12957 B12R0.276 C=CC(C)OCCCC(=O)OCC 34a_100000695699_100009991533 [0,2,0,0,0,0|1,0,0]=3 12958 B12R0.276 C=CC(C)SCCCC(=O)OCC 62a_100011215867_100009991533 [0,2,0,0,0,0|1,0,0]=3 12959 B12R0.276 C=CC(C)SCCNC(=O)OCC 62a_100011215867_200011445536 [0,2,0,0,0,0|2,0,0]=4 12960 B12R0.276 C=CC(O)CSCCC(=O)OCC 62a_100000730141_100000765890 [0,2,0,0,0,0|0,0,2]=4 12961 B12R0.276 C=CC(O)CSCCC(=O)OCC 62a_100000765890_100000730141 [0,2,0,0,0,0|0,0,2]=4 12962 B12R0.276 C=COC(=O)CNCCC(C)CC 2230a_100020591266_100000036128 [0,2,0,0,0,0|0,0,2]=4 12963 B12R0.276 C=C[C@H](N)COCCC(=O)OCC 34a_100016989147_100000765890 [0,2,0,0,0,0|0,0,2]=4 12964 B12R0.276 CCC(C)CCNCC(=O)NCO 2230a_100020591266_100000185155 [0,2,0,0,0,0|2,0,0]=4 12965 B12R0.276 CCC(C)CCOCC(=O)NCO 7a_100011215188_100000185155 [0,2,0,0,0,0|2,0,0]=4 12966 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,2,0,0,0,0|1,0,1]=4 12967 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,2,0,0,0,0|1,0,1]=4 12968 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,2,0,0,0,0|1,0,0]=3 12969 B12R0.276 CCCC(=O)CNCCC(C)CO 2230a_106354213184_100000747444 [0,2,0,0,0,0|2,0,0]=4 12970 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,2,0,0,0,0|1,0,0]=3 12971 B12R0.276 CCCC(=O)COCCC(C)OC 7a_100000764861_100000747444 [0,2,0,0,0,0|2,0,0]=4 12972 B12R0.276 CCCC(=O)OCNCC(C)CC 2230a_100020588543_100000034017 [0,2,0,0,0,0|2,0,0]=4 12973 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,2,0,0,0,0|2,0,0]=4 12974 B12R0.276 CCCC(=O)OCSCC(C)CC 62a_100000748023_100000034017 [0,2,0,0,0,0|2,0,0]=4 12975 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,2,0,0,0,0|2,0,0]=4 12976 B12R0.276 CCCC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000034017 [0,2,0,0,0,0|2,0,0]=4 12977 B12R0.276 CCNC(=O)CCCCC(=O)OC 11a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 12978 B12R0.276 CCNC(=O)CCCCC(=O)OC 240690a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 12979 B12R0.276 CCNC(=O)CCCCC(=O)OC 527a_100015525214_100000695723 [0,2,0,0,0,0|1,0,1]=4 12980 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [0,2,0,0,0,0|1,0,0]=3 12981 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [0,2,0,0,0,0|1,0,0]=3 12982 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [0,2,0,0,0,0|1,0,0]=3 12983 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [0,2,0,0,0,0|1,0,0]=3 12984 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [0,2,0,0,0,0|1,0,0]=3 12985 B12R0.276 CCNC(=O)CCNCC(O)CO 34a_100025743525_100011219619 [0,2,0,0,0,0|2,0,0]=4 12986 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [0,2,0,0,0,0|1,0,0]=3 12987 B12R0.276 CCNC(=O)CCNC[C@@H](C)CO 34a_100025743525_100000059175 [0,2,0,0,0,0|2,0,0]=4 12988 B12R0.276 CCNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737597 [0,2,0,0,0,0|2,0,0]=4 12989 B12R0.276 CCNC(=O)CCNC[C@@H](O)CF 34a_100025743525_100015614560 [0,2,0,0,0,0|2,0,0]=4 12990 B12R0.276 CCNC(=O)CCNC[C@@H](O)CO 34a_100025743525_100009815848 [0,2,0,0,0,0|2,0,0]=4 12991 B12R0.276 CCNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000737597 [0,2,0,0,0,0|2,0,0]=4 12992 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [0,2,0,0,0,0|1,0,0]=3 12993 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000737597_100000747405 [0,2,0,0,0,0|1,0,1]=4 12994 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000747405_100000737597 [0,2,0,0,0,0|1,0,1]=4 12995 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [0,2,0,0,0,0|1,0,0]=3 12996 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [0,2,0,0,0,0|1,0,0]=3 12997 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [0,2,0,0,0,0|1,0,0]=3 12998 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [0,2,0,0,0,0|1,0,0]=3 12999 B12R0.276 CCNC(=O)CCSCC(O)CO 62a_100000737597_100011219619 [0,2,0,0,0,0|2,0,0]=4 13000 B12R0.276 CCNC(=O)CCSCC(O)CO 62a_100011219619_100000737597 [0,2,0,0,0,0|2,0,0]=4 13001 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [0,2,0,0,0,0|1,0,0]=3 13002 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [0,2,0,0,0,0|1,0,0]=3 13003 B12R0.276 CCNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737597 [0,2,0,0,0,0|2,0,0]=4 13004 B12R0.276 CCNC(=O)CCSC[C@@H](C)CO 62a_100000737597_100000059175 [0,2,0,0,0,0|2,0,0]=4 13005 B12R0.276 CCNC(=O)CCSC[C@@H](O)CF 62a_100000737597_100015614560 [0,2,0,0,0,0|2,0,0]=4 13006 B12R0.276 CCNC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000737597 [0,2,0,0,0,0|2,0,0]=4 13007 B12R0.276 CCNC(=O)CCSC[C@@H](O)CO 62a_100000737597_100009815848 [0,2,0,0,0,0|2,0,0]=4 13008 B12R0.276 CCNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000737597 [0,2,0,0,0,0|2,0,0]=4 13009 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [0,2,0,0,0,0|1,0,0]=3 13010 B12R0.276 CCNC(=O)CNCCC(C)CO 2230a_106354213184_100000183381 [0,2,0,0,0,0|2,0,0]=4 13011 B12R0.276 CCNC(=O)CNCCC(C)CO 34a_106354213184_100000183381 [0,2,0,0,0,0|2,0,0]=4 13012 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,2,0,0,0,0|1,0,0]=3 13013 B12R0.276 CCNC(=O)COCCC(C)OC 7a_100000764861_100000183381 [0,2,0,0,0,0|2,0,0]=4 13014 B12R0.276 CCOC(=O)/C=C/CNC(C)CC 2230a_100000209981_100016267167 [0,2,0,0,0,0|0,0,2]=4 13015 B12R0.276 CCOC(=O)/C=C/COC(C)CC 7a_100000210228_100016267167 [0,2,0,0,0,0|0,0,2]=4 13016 B12R0.276 CCOC(=O)/C=C/CSC(C)CC 62a_100000758301_100016267167 [0,2,0,0,0,0|0,0,2]=4 13017 B12R0.276 CCOC(=O)/C=C/CSC(C)CC 62a_100016267167_100000758301 [0,2,0,0,0,0|0,0,2]=4 13018 B12R0.276 CCOC(=O)C=NNCC(O)CC 4a_100015206393_100000742314 [0,2,0,0,0,0|1,0,1]=4 13019 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,2,0,0,0,0|0,0,0]=2 13020 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,2,0,0,0,0|0,0,0]=2 13021 B12R0.276 CCOC(=O)CCCCC(=O)CF 1458a_100011217402_100015361967 [0,2,0,0,0,0|0,0,1]=3 13022 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [0,2,0,0,0,0|0,0,1]=3 13023 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [0,2,0,0,0,0|0,0,1]=3 13024 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [0,2,0,0,0,0|0,0,1]=3 13025 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [0,2,0,0,0,0|0,0,1]=3 13026 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [0,2,0,0,0,0|0,0,1]=3 13027 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [0,2,0,0,0,0|0,0,0]=2 13028 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [0,2,0,0,0,0|0,0,0]=2 13029 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,2,0,0,0,0|0,0,1]=3 13030 B12R0.276 CCOC(=O)CCCNC(=O)CO 188690a_100000211256_100000210174 [0,2,0,0,0,0|1,0,1]=4 13031 B12R0.276 CCOC(=O)CCCNC(C)C#N 2230a_100000737613_100009991533 [0,2,0,0,0,0|1,0,0]=3 13032 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [0,2,0,0,0,0|0,0,0]=2 13033 B12R0.276 CCOC(=O)CCCN[C@H](C)CO 2230a_100000737577_100009991533 [0,2,0,0,0,0|1,0,0]=3 13034 B12R0.276 CCOC(=O)CCCOC(C)C#N 34a_100011218135_100009991533 [0,2,0,0,0,0|1,0,0]=3 13035 B12R0.276 CCOC(=O)CCCOC(C)C#N 7a_100012001163_100000703298 [0,2,0,0,0,0|1,0,0]=3 13036 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [0,2,0,0,0,0|0,0,0]=2 13037 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [0,2,0,0,0,0|0,0,0]=2 13038 B12R0.276 CCOC(=O)CCCOC(C)CF 34a_100016041109_100009991533 [0,2,0,0,0,0|1,0,0]=3 13039 B12R0.276 CCOC(=O)CCCOC(C)CF 7a_100016041109_100011215271 [0,2,0,0,0,0|1,0,0]=3 13040 B12R0.276 CCOC(=O)CCCOC(C)CN 34a_100000210904_100009991533 [0,2,0,0,0,0|1,0,0]=3 13041 B12R0.276 CCOC(=O)CCCOC(C)CO 7a_100012001163_100012180447 [0,2,0,0,0,0|1,0,0]=3 13042 B12R0.276 CCOC(=O)CCCSC(C)C#N 62a_100000703298_100009991533 [0,2,0,0,0,0|1,0,0]=3 13043 B12R0.276 CCOC(=O)CCCSC(C)C#N 62a_100009991533_100000703298 [0,2,0,0,0,0|1,0,0]=3 13044 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [0,2,0,0,0,0|0,0,0]=2 13045 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [0,2,0,0,0,0|0,0,0]=2 13046 B12R0.276 CCOC(=O)CCCSC(C)CO 62a_100012180447_100009991533 [0,2,0,0,0,0|1,0,0]=3 13047 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009879195_100009991533 [0,2,0,0,0,0|1,0,0]=3 13048 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009991533_100009879195 [0,2,0,0,0,0|1,0,0]=3 13049 B12R0.276 CCOC(=O)CCCSC(F)C#N 62a_100009991533_200000117898 [0,2,0,0,0,0|1,0,1]=4 13050 B12R0.276 CCOC(=O)CCCSC(F)C#N 62a_200000117898_100009991533 [0,2,0,0,0,0|1,0,1]=4 13051 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100009991533_100016084084 [0,2,0,0,0,0|1,0,0]=3 13052 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100016084084_100009991533 [0,2,0,0,0,0|1,0,0]=3 13053 B12R0.276 CCOC(=O)CCNCC(=O)NC 2230a_100000693194_100011206558 [0,2,0,0,0,0|1,0,1]=4 13054 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [0,2,0,0,0,0|0,0,0]=2 13055 B12R0.276 CCOC(=O)CCNCC(C)CO 34a_100000744482_100000765890 [0,2,0,0,0,0|1,0,0]=3 13056 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [0,2,0,0,0,0|0,0,0]=2 13057 B12R0.276 CCOC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011206558 [0,2,0,0,0,0|1,0,0]=3 13058 B12R0.276 CCOC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000765890 [0,2,0,0,0,0|1,0,0]=3 13059 B12R0.276 CCOC(=O)CCNC[C@H](O)CO 2230a_100020644852_100011206558 [0,2,0,0,0,0|1,0,0]=3 13060 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [0,2,0,0,0,0|0,0,1]=3 13061 B12R0.276 CCOC(=O)CCOCC(=O)NC 34a_100000750040_100000765890 [0,2,0,0,0,0|1,0,1]=4 13062 B12R0.276 CCOC(=O)CCOCC(C)CN 34a_100000744482_100000765890 [0,2,0,0,0,0|1,0,0]=3 13063 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [0,2,0,0,0,0|1,0,0]=3 13064 B12R0.276 CCOC(=O)CCOCC(Cl)CCl 34a_100000033668_100000765890 [0,2,0,0,0,0|1,0,0]=3 13065 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [0,2,0,0,0,0|0,0,0]=2 13066 B12R0.276 CCOC(=O)CCOC[C@H](F)CN 34a_100015665980_100000765890 [0,2,0,0,0,0|1,0,0]=3 13067 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [0,2,0,0,0,0|0,0,1]=3 13068 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [0,2,0,0,0,0|0,0,1]=3 13069 B12R0.276 CCOC(=O)CCSCC(=O)NC 62a_100000183359_100000765890 [0,2,0,0,0,0|1,0,1]=4 13070 B12R0.276 CCOC(=O)CCSCC(=O)NC 62a_100000765890_100000183359 [0,2,0,0,0,0|1,0,1]=4 13071 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000747449_100000765890 [0,2,0,0,0,0|1,0,1]=4 13072 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000765890_100000747449 [0,2,0,0,0,0|1,0,1]=4 13073 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [0,2,0,0,0,0|0,0,0]=2 13074 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [0,2,0,0,0,0|0,0,0]=2 13075 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [0,2,0,0,0,0|0,0,0]=2 13076 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [0,2,0,0,0,0|0,0,0]=2 13077 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100000765890_100011219619 [0,2,0,0,0,0|1,0,0]=3 13078 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100011219619_100000765890 [0,2,0,0,0,0|1,0,0]=3 13079 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [0,2,0,0,0,0|0,0,0]=2 13080 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [0,2,0,0,0,0|0,0,0]=2 13081 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000765890 [0,2,0,0,0,0|1,0,0]=3 13082 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000765890_100000059175 [0,2,0,0,0,0|1,0,0]=3 13083 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100000765890_100015614560 [0,2,0,0,0,0|1,0,0]=3 13084 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000765890 [0,2,0,0,0,0|1,0,0]=3 13085 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100000765890_100009815848 [0,2,0,0,0,0|1,0,0]=3 13086 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000765890 [0,2,0,0,0,0|1,0,0]=3 13087 B12R0.276 CCOC(=O)CNCCC(=O)NC 2230a_100000738227_100000188475 [0,2,0,0,0,0|1,0,1]=4 13088 B12R0.276 CCOC(=O)CNCCC(=O)NC 34a_100000738227_100000188475 [0,2,0,0,0,0|1,0,1]=4 13089 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [0,2,0,0,0,0|0,0,0]=2 13090 B12R0.276 CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000188475 [0,2,0,0,0,0|1,0,0]=3 13091 B12R0.276 CCOC(=O)CNCCC(C)CO 34a_106354213184_100000188475 [0,2,0,0,0,0|1,0,0]=3 13092 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,2,0,0,0,0|0,0,1]=3 13093 B12R0.276 CCOC(=O)COCCC(=O)CO 1458a_100000210174_100000088970 [0,2,0,0,0,0|1,0,1]=4 13094 B12R0.276 CCOC(=O)COCCC(=O)NC 34a_100000754576_100000188475 [0,2,0,0,0,0|1,0,1]=4 13095 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,2,0,0,0,0|0,0,0]=2 13096 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [0,2,0,0,0,0|1,0,0]=3 13097 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [0,2,0,0,0,0|1,0,0]=3 13098 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [0,2,0,0,0,0|1,0,0]=3 13099 B12R0.276 CCOC(=O)CSCCC(=O)NC 62a_100000188475_100000737683 [0,2,0,0,0,0|1,0,1]=4 13100 B12R0.276 CCOC(=O)CSCCC(=O)NC 62a_100000737683_100000188475 [0,2,0,0,0,0|1,0,1]=4 13101 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000188475_100000204255 [0,2,0,0,0,0|1,0,1]=4 13102 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000188475 [0,2,0,0,0,0|1,0,1]=4 13103 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [0,2,0,0,0,0|1,0,0]=3 13104 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [0,2,0,0,0,0|1,0,0]=3 13105 B12R0.276 CCOC(=O)NCCOC(C)CF 7a_100016041109_200011445536 [0,2,0,0,0,0|2,0,0]=4 13106 B12R0.276 CCOC(=O)NCCOC(C)CO 34a_100000158857_100012180447 [0,2,0,0,0,0|2,0,0]=4 13107 B12R0.276 CCOC(=O)NCCSC(C)C#N 62a_100000703298_200011445536 [0,2,0,0,0,0|2,0,0]=4 13108 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [0,2,0,0,0,0|1,0,0]=3 13109 B12R0.276 CCOC(=O)NCCSC(C)CO 62a_100012180447_200011445536 [0,2,0,0,0,0|2,0,0]=4 13110 B12R0.276 CCOC(=O)NCCSC(C)OC 62a_100009879195_200011445536 [0,2,0,0,0,0|2,0,0]=4 13111 B12R0.276 CCOC(=O)NCCS[C@H](C)CO 62a_100016084084_200011445536 [0,2,0,0,0,0|2,0,0]=4 13112 B12R0.276 CCOC(=O)OCSCC(=O)CC 62a_100000747405_100000075025 [0,2,0,0,0,0|1,0,1]=4 13113 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [0,2,0,0,0,0|1,0,0]=3 13114 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [0,2,0,0,0,0|1,0,0]=3 13115 B12R0.276 CCOC(=O)OCSCC(O)CO 62a_100011219619_100000075025 [0,2,0,0,0,0|2,0,0]=4 13116 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [0,2,0,0,0,0|1,0,0]=3 13117 B12R0.276 CCOC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000075025 [0,2,0,0,0,0|2,0,0]=4 13118 B12R0.276 CCOC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000075025 [0,2,0,0,0,0|2,0,0]=4 13119 B12R0.276 CCOC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000075025 [0,2,0,0,0,0|2,0,0]=4 13120 B12R0.277 C=C(Br)CCOCCC(=O)OCC 34a_100009813270_100000765890 [0,2,0,0,0,0|0,0,2]=4 13121 B12R0.277 C=C(C)CCNCCC(=O)NCC 34a_100025743525_100000730704 [0,2,0,0,0,0|1,0,1]=4 13122 B12R0.277 C=C(C)CCOCCC(=O)OCC 34a_100000764851_100000765890 [0,2,0,0,0,0|0,0,1]=3 13123 B12R0.277 C=C(C)CCSCCC(=O)NCC 62a_100000730704_100000737597 [0,2,0,0,0,0|1,0,1]=4 13124 B12R0.277 C=C(C)CCSCCC(=O)NCC 62a_100000737597_100000730704 [0,2,0,0,0,0|1,0,1]=4 13125 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000730704_100000765890 [0,2,0,0,0,0|0,0,1]=3 13126 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000765890_100000730704 [0,2,0,0,0,0|0,0,1]=3 13127 B12R0.277 C=C(C)CCSCOC(=O)OCC 62a_100000730704_100000075025 [0,2,0,0,0,0|1,0,1]=4 13128 B12R0.277 C=C(C)COCCCC(=O)OCC 34a_100000210245_100009991533 [0,2,0,0,0,0|0,0,1]=3 13129 B12R0.277 C=C(C)COCCCC(=O)OCC 7a_100012001163_100000748629 [0,2,0,0,0,0|0,0,1]=3 13130 B12R0.277 C=C(C)COCCNC(=O)OCC 34a_100000158857_100000748629 [0,2,0,0,0,0|1,0,1]=4 13131 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100000748629_100009991533 [0,2,0,0,0,0|0,0,1]=3 13132 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100009991533_100000211660 [0,2,0,0,0,0|0,0,1]=3 13133 B12R0.277 C=C(C)CSCCNC(=O)OCC 62a_100000748629_200011445536 [0,2,0,0,0,0|1,0,1]=4 13134 B12R0.277 C=C(F)COCCCC(=O)OCC 34a_200010262243_100009991533 [0,2,0,0,0,0|0,0,2]=4 13135 B12R0.277 C=C(F)COCCCC(=O)OCC 7a_100012001163_100000042424 [0,2,0,0,0,0|0,0,2]=4 13136 B12R0.277 C=C(F)CSCCCC(=O)OCC 62a_100000042424_100009991533 [0,2,0,0,0,0|0,0,2]=4 13137 B12R0.277 C=C(F)CSCCCC(=O)OCC 62a_100009991533_100000042424 [0,2,0,0,0,0|0,0,2]=4 13138 B12R0.277 C=COC(=O)CNCCCC(C)C 2230a_200000737386_100000036128 [0,2,0,0,0,0|0,0,2]=4 13139 B12R0.277 C=COC(=O)CNCCCC(C)C 34a_200000737386_100000036128 [0,2,0,0,0,0|0,0,2]=4 13140 B12R0.277 C=COC(=O)COCCCC(C)C 34a_100000210774_100000036128 [0,2,0,0,0,0|0,0,2]=4 13141 B12R0.277 C=COC(=O)CSCCCC(C)C 62a_100000036128_100011214892 [0,2,0,0,0,0|0,0,2]=4 13142 B12R0.277 C=COC(=O)CSCCCC(C)C 62a_100011214892_100000036128 [0,2,0,0,0,0|0,0,2]=4 13143 B12R0.277 C=COC(=O)CSCCCC(C)O 62a_100000036128_200000718107 [0,2,0,0,0,0|0,0,2]=4 13144 B12R0.277 C=COC(=O)CSCCCC(C)O 62a_200000718107_100000036128 [0,2,0,0,0,0|0,0,2]=4 13145 B12R0.277 CC#CC(=O)CCCCCC(C)C 1458a_100000763181_100000210682 [0,2,0,0,0,0|1,0,1]=4 13146 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,2,0,0,0,0|2,0,0]=4 13147 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,2,0,0,0,0|2,0,0]=4 13148 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,2,0,0,0,0|2,0,0]=4 13149 B12R0.277 CC(C)CCCNCC(=O)NCO 2230a_200000737386_100000185155 [0,2,0,0,0,0|2,0,0]=4 13150 B12R0.277 CC(C)CCCNCC(=O)NCO 34a_200000737386_100000185155 [0,2,0,0,0,0|2,0,0]=4 13151 B12R0.277 CC(C)CCCOCC(=O)NCO 34a_100000210774_100000185155 [0,2,0,0,0,0|2,0,0]=4 13152 B12R0.277 CC(C)CCCOCC(=O)NCO 7a_100000210774_100000185155 [0,2,0,0,0,0|2,0,0]=4 13153 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100000185155_100011214892 [0,2,0,0,0,0|2,0,0]=4 13154 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100011214892_100000185155 [0,2,0,0,0,0|2,0,0]=4 13155 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_100000185155_200000718107 [0,2,0,0,0,0|2,0,0]=4 13156 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_200000718107_100000185155 [0,2,0,0,0,0|2,0,0]=4 13157 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [0,2,0,0,0,0|1,0,1]=4 13158 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [0,2,0,0,0,0|2,0,0]=4 13159 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,2,0,0,0,0|1,0,1]=4 13160 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,2,0,0,0,0|1,0,0]=3 13161 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,2,0,0,0,0|1,0,0]=3 13162 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,2,0,0,0,0|2,0,0]=4 13163 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,2,0,0,0,0|1,0,1]=4 13164 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,2,0,0,0,0|1,0,1]=4 13165 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,2,0,0,0,0|1,0,0]=3 13166 B12R0.277 CCCC(=O)CNCCCS(=O)C 2230a_200000753449_100000747444 [0,2,0,0,0,0|2,0,0]=4 13167 B12R0.277 CCCC(=O)CNCCOC(C)C 2230a_100000701111_100000747444 [0,2,0,0,0,0|2,0,0]=4 13168 B12R0.277 CCCC(=O)CNCCSC(C)C 2230a_100000731138_100000747444 [0,2,0,0,0,0|2,0,0]=4 13169 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,2,0,0,0,0|1,0,1]=4 13170 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,2,0,0,0,0|1,0,0]=3 13171 B12R0.277 CCCC(=O)COCCOC(C)C 7a_100000211219_100000747444 [0,2,0,0,0,0|2,0,0]=4 13172 B12R0.277 CCCC(=O)COCCSC(C)C 7a_200011212901_100000747444 [0,2,0,0,0,0|2,0,0]=4 13173 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,2,0,0,0,0|1,0,1]=4 13174 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,2,0,0,0,0|1,0,1]=4 13175 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,2,0,0,0,0|1,0,0]=3 13176 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,2,0,0,0,0|1,0,0]=3 13177 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,2,0,0,0,0|1,0,0]=3 13178 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,2,0,0,0,0|1,0,0]=3 13179 B12R0.277 CCCC(=O)CSCCCN(C)C 62a_100000747444_100000757444 [0,2,0,0,0,0|2,0,0]=4 13180 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000211751_100000747444 [0,2,0,0,0,0|2,0,0]=4 13181 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000747444_100000211751 [0,2,0,0,0,0|2,0,0]=4 13182 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000730970_100000747444 [0,2,0,0,0,0|2,0,0]=4 13183 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000747444_100000730970 [0,2,0,0,0,0|2,0,0]=4 13184 B12R0.277 CCCC(=O)NCCCCN(C)C 240690a_100025707445_100000211992 [0,2,0,0,0,0|2,0,0]=4 13185 B12R0.277 CCCC(=O)NCCCOC(C)C 11a_100000737246_100000211992 [0,2,0,0,0,0|2,0,0]=4 13186 B12R0.277 CCCC(=O)NCCCOC(C)C 1626a_100000737246_100000211992 [0,2,0,0,0,0|2,0,0]=4 13187 B12R0.277 CCCC(=O)NCCCOC(C)C 240690a_100000737246_100000211992 [0,2,0,0,0,0|2,0,0]=4 13188 B12R0.277 CCCC(=O)NCCCOC(C)C 527a_100000737246_100000211992 [0,2,0,0,0,0|2,0,0]=4 13189 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,2,0,0,0,0|2,0,0]=4 13190 B12R0.277 CCCC(=O)OCOCCC(C)Br 34a_100009893172_100000034017 [0,2,0,0,0,0|2,0,0]=4 13191 B12R0.277 CCCC(=O)OCOCCC(C)C 34a_100000210254_100000034017 [0,2,0,0,0,0|2,0,0]=4 13192 B12R0.277 CCCC(=O)OCOCC[C@@H](C)N 34a_100000706166_100000034017 [0,2,0,0,0,0|2,0,0]=4 13193 B12R0.277 CCCC(=O)OCSCCC(C)C 62a_100000210312_100000034017 [0,2,0,0,0,0|2,0,0]=4 13194 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,2,0,0,0,0|2,0,0]=4 13195 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 13196 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 13197 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,2,0,0,0,0|1,0,0]=3 13198 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 11a_100015525214_100000043470 [0,2,0,0,0,0|2,0,0]=4 13199 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 240690a_100015525214_100000043470 [0,2,0,0,0,0|2,0,0]=4 13200 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 527a_100015525214_100000043470 [0,2,0,0,0,0|2,0,0]=4 13201 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [0,2,0,0,0,0|1,0,0]=3 13202 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [0,2,0,0,0,0|1,0,0]=3 13203 B12R0.277 CCNC(=O)CCNCCC(C)O 2230a_200000755665_100000737597 [0,2,0,0,0,0|1,0,0]=3 13204 B12R0.277 CCNC(=O)CCNCCC(C)O 34a_100025743525_100012276601 [0,2,0,0,0,0|1,0,0]=3 13205 B12R0.277 CCNC(=O)CCNCOC(C)C 34a_100025743525_100000709892 [0,2,0,0,0,0|2,0,0]=4 13206 B12R0.277 CCNC(=O)CCOCCC(=O)C 7a_100000759926_100000737597 [0,2,0,0,0,0|1,0,1]=4 13207 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [0,2,0,0,0,0|1,0,0]=3 13208 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000053229_100000737597 [0,2,0,0,0,0|1,0,1]=4 13209 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000737597_100000053229 [0,2,0,0,0,0|1,0,1]=4 13210 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [0,2,0,0,0,0|1,0,0]=3 13211 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [0,2,0,0,0,0|1,0,0]=3 13212 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100000737597_100012276601 [0,2,0,0,0,0|1,0,0]=3 13213 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100012276601_100000737597 [0,2,0,0,0,0|1,0,0]=3 13214 B12R0.277 CCNC(=O)CCSCCN(C)C 62a_100000737597_100000755713 [0,2,0,0,0,0|2,0,0]=4 13215 B12R0.277 CCNC(=O)CCSCOC(C)C 62a_100000709892_100000737597 [0,2,0,0,0,0|2,0,0]=4 13216 B12R0.277 CCNC(=O)CCSCOC(C)C 62a_100000737597_100000709892 [0,2,0,0,0,0|2,0,0]=4 13217 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [0,2,0,0,0,0|1,0,0]=3 13218 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [0,2,0,0,0,0|1,0,0]=3 13219 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [0,2,0,0,0,0|1,0,0]=3 13220 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [0,2,0,0,0,0|1,0,0]=3 13221 B12R0.277 CCNC(=O)CNCCCS(=O)C 2230a_200000753449_100000183381 [0,2,0,0,0,0|2,0,0]=4 13222 B12R0.277 CCNC(=O)CNCCOC(C)C 2230a_100000701111_100000183381 [0,2,0,0,0,0|2,0,0]=4 13223 B12R0.277 CCNC(=O)CNCCOC(C)C 2230a_100016988866_100000211751 [0,2,0,0,0,0|2,0,0]=4 13224 B12R0.277 CCNC(=O)CNCCOC(C)C 34a_100000701111_100000183381 [0,2,0,0,0,0|2,0,0]=4 13225 B12R0.277 CCNC(=O)CNCCSC(C)C 2230a_100000731138_100000183381 [0,2,0,0,0,0|2,0,0]=4 13226 B12R0.277 CCNC(=O)CNCCSC(C)C 2230a_100016988866_100000730970 [0,2,0,0,0,0|2,0,0]=4 13227 B12R0.277 CCNC(=O)CNCCSC(C)C 34a_100000731138_100000183381 [0,2,0,0,0,0|2,0,0]=4 13228 B12R0.277 CCNC(=O)COCCCC(=O)C 34a_100000759063_100000183381 [0,2,0,0,0,0|1,0,1]=4 13229 B12R0.277 CCNC(=O)COCCCC(=O)C 7a_100000759063_100000183381 [0,2,0,0,0,0|1,0,1]=4 13230 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,2,0,0,0,0|1,0,0]=3 13231 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,2,0,0,0,0|1,0,0]=3 13232 B12R0.277 CCNC(=O)COCCNC(C)C 34a_100000224655_100000183381 [0,2,0,0,0,0|2,0,0]=4 13233 B12R0.277 CCNC(=O)COCCOC(C)C 34a_100000211219_100000183381 [0,2,0,0,0,0|2,0,0]=4 13234 B12R0.277 CCNC(=O)COCCOC(C)C 7a_100000211219_100000183381 [0,2,0,0,0,0|2,0,0]=4 13235 B12R0.277 CCNC(=O)COCCSC(C)C 34a_200011212901_100000183381 [0,2,0,0,0,0|2,0,0]=4 13236 B12R0.277 CCNC(=O)COCCSC(C)C 7a_200011212901_100000183381 [0,2,0,0,0,0|2,0,0]=4 13237 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100000183381_100011215641 [0,2,0,0,0,0|1,0,1]=4 13238 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100011215641_100000183381 [0,2,0,0,0,0|1,0,1]=4 13239 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [0,2,0,0,0,0|1,0,0]=3 13240 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [0,2,0,0,0,0|1,0,0]=3 13241 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [0,2,0,0,0,0|1,0,0]=3 13242 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [0,2,0,0,0,0|1,0,0]=3 13243 B12R0.277 CCNC(=O)CSCCCN(C)C 62a_100000183381_100000757444 [0,2,0,0,0,0|2,0,0]=4 13244 B12R0.277 CCNC(=O)CSCCOC(C)C 62a_100000183381_100000211751 [0,2,0,0,0,0|2,0,0]=4 13245 B12R0.277 CCNC(=O)CSCCOC(C)C 62a_100000211751_100000183381 [0,2,0,0,0,0|2,0,0]=4 13246 B12R0.277 CCNC(=O)CSCCSC(C)C 62a_100000183381_100000730970 [0,2,0,0,0,0|2,0,0]=4 13247 B12R0.277 CCNC(=O)CSCCSC(C)C 62a_100000730970_100000183381 [0,2,0,0,0,0|2,0,0]=4 13248 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 13249 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 13250 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 13251 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 13252 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100015525214_100025707445 [0,2,0,0,0,0|2,0,0]=4 13253 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100025707445_100015525214 [0,2,0,0,0,0|2,0,0]=4 13254 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 13255 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 13256 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 13257 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 13258 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100000737246_100015525214 [0,2,0,0,0,0|2,0,0]=4 13259 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100015525214_100000737246 [0,2,0,0,0,0|2,0,0]=4 13260 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 2230a_100000210953_100016267167 [0,2,0,0,0,0|0,0,2]=4 13261 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 34a_100000210953_100016267167 [0,2,0,0,0,0|0,0,2]=4 13262 B12R0.277 CCOC(=O)/C=C/CNCC(C)O 2230a_100000210904_100016267167 [0,2,0,0,0,0|0,0,2]=4 13263 B12R0.277 CCOC(=O)/C=C/CNCC(C)O 34a_100000210904_100016267167 [0,2,0,0,0,0|0,0,2]=4 13264 B12R0.277 CCOC(=O)/C=C/COCC(C)Br 34a_100012180447_100016267167 [0,2,0,0,0,0|0,0,2]=4 13265 B12R0.277 CCOC(=O)/C=C/COCC(C)C 34a_100000210257_100016267167 [0,2,0,0,0,0|0,0,2]=4 13266 B12R0.277 CCOC(=O)/C=C/COCC(C)F 34a_100015925927_100016267167 [0,2,0,0,0,0|0,0,2]=4 13267 B12R0.277 CCOC(=O)/C=C/COC[C@@H](C)Cl 34a_100016084084_100016267167 [0,2,0,0,0,0|0,0,2]=4 13268 B12R0.277 CCOC(=O)/C=C/COC[C@@H](C)N 34a_100000737577_100016267167 [0,2,0,0,0,0|0,0,2]=4 13269 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100000210624_100016267167 [0,2,0,0,0,0|0,0,2]=4 13270 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100016267167_100000210760 [0,2,0,0,0,0|0,0,2]=4 13271 B12R0.277 CCOC(=O)/C=C/CSCC(C)O 62a_100011218427_100016267167 [0,2,0,0,0,0|0,0,2]=4 13272 B12R0.277 CCOC(=O)/C=C/CSCC(C)O 62a_100016267167_100011218427 [0,2,0,0,0,0|0,0,2]=4 13273 B12R0.277 CCOC(=O)/C=C/CSC[C@@H](C)O 62a_100009817552_100016267167 [0,2,0,0,0,0|0,0,2]=4 13274 B12R0.277 CCOC(=O)/C=C/CSC[C@@H](C)O 62a_100016267167_100009817552 [0,2,0,0,0,0|0,0,2]=4 13275 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,2,0,0,0,0|0,0,0]=2 13276 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,2,0,0,0,0|0,0,0]=2 13277 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,2,0,0,0,0|0,0,0]=2 13278 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [0,2,0,0,0,0|0,0,0]=2 13279 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [0,2,0,0,0,0|0,0,0]=2 13280 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,2,0,0,0,0|0,0,1]=3 13281 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [0,2,0,0,0,0|0,0,0]=2 13282 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [0,2,0,0,0,0|0,0,0]=2 13283 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [0,2,0,0,0,0|0,0,0]=2 13284 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [0,2,0,0,0,0|0,0,0]=2 13285 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [0,2,0,0,0,0|0,0,0]=2 13286 B12R0.277 CCOC(=O)CCCNCC(=O)N 2230a_100000711301_100009991533 [0,2,0,0,0,0|1,0,1]=4 13287 B12R0.277 CCOC(=O)CCCNCC(=O)O 269956a_100016091260_100009991533 [0,2,0,0,0,0|1,0,1]=4 13288 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [0,2,0,0,0,0|0,0,0]=2 13289 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [0,2,0,0,0,0|0,0,0]=2 13290 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [0,2,0,0,0,0|0,0,0]=2 13291 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [0,2,0,0,0,0|0,0,0]=2 13292 B12R0.277 CCOC(=O)CCCNCC(F)F 34a_100000765723_100009991533 [0,2,0,0,0,0|1,0,0]=3 13293 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [0,2,0,0,0,0|0,0,1]=3 13294 B12R0.277 CCOC(=O)CCCOCC(=O)N 7a_100012001163_100000187820 [0,2,0,0,0,0|1,0,1]=4 13295 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [0,2,0,0,0,0|0,0,0]=2 13296 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [0,2,0,0,0,0|0,0,0]=2 13297 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [0,2,0,0,0,0|0,0,0]=2 13298 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [0,2,0,0,0,0|0,0,0]=2 13299 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [0,2,0,0,0,0|0,0,0]=2 13300 B12R0.277 CCOC(=O)CCCOCC(F)F 34a_100000743014_100009991533 [0,2,0,0,0,0|1,0,0]=3 13301 B12R0.277 CCOC(=O)CCCOCC(F)F 7a_100012001163_100011934356 [0,2,0,0,0,0|1,0,0]=3 13302 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [0,2,0,0,0,0|0,0,0]=2 13303 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [0,2,0,0,0,0|0,0,0]=2 13304 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [0,2,0,0,0,0|0,0,0]=2 13305 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100000747473_100009991533 [0,2,0,0,0,0|1,0,1]=4 13306 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100009991533_100000747473 [0,2,0,0,0,0|1,0,1]=4 13307 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100009991533_100020667443 [0,2,0,0,0,0|1,0,1]=4 13308 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100020667443_100009991533 [0,2,0,0,0,0|1,0,1]=4 13309 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [0,2,0,0,0,0|0,0,0]=2 13310 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [0,2,0,0,0,0|0,0,0]=2 13311 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [0,2,0,0,0,0|0,0,0]=2 13312 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [0,2,0,0,0,0|0,0,0]=2 13313 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100009991533_100011934356 [0,2,0,0,0,0|1,0,0]=3 13314 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100011934356_100009991533 [0,2,0,0,0,0|1,0,0]=3 13315 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [0,2,0,0,0,0|0,0,0]=2 13316 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [0,2,0,0,0,0|0,0,0]=2 13317 B12R0.277 CCOC(=O)CCCSC[N+](=O)[O-] 62a_100009991533_100000761209 [0,2,0,0,0,0|2,0,0]=4 13318 B12R0.277 CCOC(=O)CCNCC=C(C)C 34a_100000718196_100000765890 [0,2,0,0,0,0|0,0,2]=4 13319 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [0,2,0,0,0,0|0,0,0]=2 13320 B12R0.277 CCOC(=O)CCOCC=C(C)C 34a_100000753907_100000765890 [0,2,0,0,0,0|0,0,2]=4 13321 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [0,2,0,0,0,0|0,0,1]=3 13322 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [0,2,0,0,0,0|0,0,1]=3 13323 B12R0.277 CCOC(=O)CCOCCC(=O)N 34a_100000757172_100000765890 [0,2,0,0,0,0|1,0,1]=4 13324 B12R0.277 CCOC(=O)CCOCCC(=O)N 7a_100000757172_100011206558 [0,2,0,0,0,0|1,0,1]=4 13325 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [0,2,0,0,0,0|0,0,0]=2 13326 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [0,2,0,0,0,0|0,0,0]=2 13327 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [0,2,0,0,0,0|0,0,0]=2 13328 B12R0.277 CCOC(=O)CCOCCC(F)F 34a_100103093639_100000765890 [0,2,0,0,0,0|1,0,0]=3 13329 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [0,2,0,0,0,0|0,0,0]=2 13330 B12R0.277 CCOC(=O)CCSCC=C(C)C 62a_100000761012_100000765890 [0,2,0,0,0,0|0,0,2]=4 13331 B12R0.277 CCOC(=O)CCSCC=C(C)C 62a_100000765890_100000761012 [0,2,0,0,0,0|0,0,2]=4 13332 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [0,2,0,0,0,0|0,0,1]=3 13333 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [0,2,0,0,0,0|0,0,1]=3 13334 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000744528_100000765890 [0,2,0,0,0,0|1,0,1]=4 13335 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000765890_100000744528 [0,2,0,0,0,0|1,0,1]=4 13336 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [0,2,0,0,0,0|0,0,0]=2 13337 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [0,2,0,0,0,0|0,0,0]=2 13338 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [0,2,0,0,0,0|0,0,0]=2 13339 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [0,2,0,0,0,0|0,0,0]=2 13340 B12R0.277 CCOC(=O)CCSCCN(C)C 62a_100000765890_100000755713 [0,2,0,0,0,0|1,0,0]=3 13341 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000076356_100000765890 [0,2,0,0,0,0|1,0,1]=4 13342 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000765890_100000076356 [0,2,0,0,0,0|1,0,1]=4 13343 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000709892_100000765890 [0,2,0,0,0,0|1,0,0]=3 13344 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000765890_100000709892 [0,2,0,0,0,0|1,0,0]=3 13345 B12R0.277 CCOC(=O)CNCCCC(=O)N 34a_100000739312_100000188475 [0,2,0,0,0,0|1,0,1]=4 13346 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [0,2,0,0,0,0|0,0,0]=2 13347 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [0,2,0,0,0,0|0,0,0]=2 13348 B12R0.277 CCOC(=O)CNCCCS(=O)C 2230a_200000753449_100000188475 [0,2,0,0,0,0|1,0,0]=3 13349 B12R0.277 CCOC(=O)CNCCNC(=O)C 2230a_100000209853_100000188475 [0,2,0,0,0,0|1,0,1]=4 13350 B12R0.277 CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000188475 [0,2,0,0,0,0|1,0,0]=3 13351 B12R0.277 CCOC(=O)CNCCOC(C)C 34a_100000701111_100000188475 [0,2,0,0,0,0|1,0,0]=3 13352 B12R0.277 CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000188475 [0,2,0,0,0,0|1,0,0]=3 13353 B12R0.277 CCOC(=O)CNCCSC(C)C 34a_100000731138_100000188475 [0,2,0,0,0,0|1,0,0]=3 13354 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,2,0,0,0,0|0,0,1]=3 13355 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,2,0,0,0,0|0,0,1]=3 13356 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,2,0,0,0,0|0,0,1]=3 13357 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,2,0,0,0,0|0,0,0]=2 13358 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,2,0,0,0,0|0,0,0]=2 13359 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [0,2,0,0,0,0|1,0,0]=3 13360 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [0,2,0,0,0,0|1,0,0]=3 13361 B12R0.277 CCOC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000188475 [0,2,0,0,0,0|2,0,0]=4 13362 B12R0.277 CCOC(=O)COCCNC(=O)C 34a_100000158858_100000188475 [0,2,0,0,0,0|1,0,1]=4 13363 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [0,2,0,0,0,0|1,0,0]=3 13364 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [0,2,0,0,0,0|1,0,0]=3 13365 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [0,2,0,0,0,0|1,0,0]=3 13366 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [0,2,0,0,0,0|1,0,0]=3 13367 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [0,2,0,0,0,0|1,0,0]=3 13368 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [0,2,0,0,0,0|1,0,0]=3 13369 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [0,2,0,0,0,0|1,0,0]=3 13370 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [0,2,0,0,0,0|1,0,0]=3 13371 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [0,2,0,0,0,0|1,0,0]=3 13372 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [0,2,0,0,0,0|1,0,0]=3 13373 B12R0.277 CCOC(=O)CSCCC=C(C)C 62a_100000188475_100011217483 [0,2,0,0,0,0|0,0,2]=4 13374 B12R0.277 CCOC(=O)CSCCC=C(C)C 62a_100011217483_100000188475 [0,2,0,0,0,0|0,0,2]=4 13375 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [0,2,0,0,0,0|0,0,1]=3 13376 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [0,2,0,0,0,0|0,0,1]=3 13377 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100000188475_100102525003 [0,2,0,0,0,0|1,0,1]=4 13378 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100102525003_100000188475 [0,2,0,0,0,0|1,0,1]=4 13379 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [0,2,0,0,0,0|0,0,0]=2 13380 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [0,2,0,0,0,0|0,0,0]=2 13381 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [0,2,0,0,0,0|0,0,0]=2 13382 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [0,2,0,0,0,0|0,0,0]=2 13383 B12R0.277 CCOC(=O)CSCCCN(C)C 62a_100000188475_100000757444 [0,2,0,0,0,0|1,0,0]=3 13384 B12R0.277 CCOC(=O)CSCCNC(=O)C 62a_100000188475_100000189650 [0,2,0,0,0,0|1,0,1]=4 13385 B12R0.277 CCOC(=O)CSCCNC(=O)C 62a_100000189650_100000188475 [0,2,0,0,0,0|1,0,1]=4 13386 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100000188475_100009814007 [0,2,0,0,0,0|1,0,1]=4 13387 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100009814007_100000188475 [0,2,0,0,0,0|1,0,1]=4 13388 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000188475_100000211751 [0,2,0,0,0,0|1,0,0]=3 13389 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000211751_100000188475 [0,2,0,0,0,0|1,0,0]=3 13390 B12R0.277 CCOC(=O)CSCCOC(C)C 7a_200000230590_100000210206 [0,2,0,0,0,0|1,0,0]=3 13391 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000188475_100000730970 [0,2,0,0,0,0|1,0,0]=3 13392 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000730970_100000188475 [0,2,0,0,0,0|1,0,0]=3 13393 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [0,2,0,0,0,0|1,0,0]=3 13394 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [0,2,0,0,0,0|1,0,0]=3 13395 B12R0.277 CCOC(=O)NCCOCC(F)F 34a_100000158857_100011934356 [0,2,0,0,0,0|2,0,0]=4 13396 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [0,2,0,0,0,0|1,0,0]=3 13397 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [0,2,0,0,0,0|1,0,0]=3 13398 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [0,2,0,0,0,0|1,0,0]=3 13399 B12R0.277 CCOC(=O)NCCSCC(F)F 62a_100011934356_200011445536 [0,2,0,0,0,0|2,0,0]=4 13400 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [0,2,0,0,0,0|1,0,0]=3 13401 B12R0.277 CCOC(=O)OCSCCC(=O)C 62a_100000053229_100000075025 [0,2,0,0,0,0|1,0,1]=4 13402 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [0,2,0,0,0,0|1,0,0]=3 13403 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [0,2,0,0,0,0|1,0,0]=3 13404 B12R0.277 CCOC(=O)OCSCOC(C)C 62a_100000709892_100000075025 [0,2,0,0,0,0|2,0,0]=4 13405 B12R0.277 CNNC(=O)CCCCCC(C)C 22a_100016993582_100000766313 [0,2,0,0,0,0|2,0,0]=4 13406 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,2,0,0,0,0|2,0,0]=4 13407 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,2,0,0,0,0|2,0,0]=4 13408 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000184674 [0,2,0,0,0,0|0,0,2]=4 13409 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100011220946_100011215271 [0,2,0,0,0,0|0,0,2]=4 13410 B12R0.285 C#CCC(C)OCCC(=O)OCC 34a_100000685586_100000765890 [0,2,0,0,0,0|0,0,2]=4 13411 B12R0.285 C#CCC(C)OCCC(=O)OCC 7a_100000685586_100011206558 [0,2,0,0,0,0|0,0,2]=4 13412 B12R0.285 C#CCN(C)CCCC(=O)OCC 2230a_100000225692_100009991533 [0,2,0,0,0,0|0,0,2]=4 13413 B12R0.285 C#CCN(C)CCCC(=O)OCC 34a_100000225692_100009991533 [0,2,0,0,0,0|0,0,2]=4 13414 B12R0.285 C/C=C/C(C)OCCC(=O)OCC 34a_200102604097_100000765890 [0,2,0,0,0,0|0,0,2]=4 13415 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210193_100011215271 [0,2,0,0,0,0|0,0,2]=4 13416 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210623 [0,2,0,0,0,0|0,0,2]=4 13417 B12R0.285 C=CCC(C)COCC(=O)OCC 34a_100009832082_100000188475 [0,2,0,0,0,0|0,0,2]=4 13418 B12R0.285 C=CCC(C)COCC(=O)OCC 7a_100009832082_100000188475 [0,2,0,0,0,0|0,0,2]=4 13419 B12R0.285 C=CCN(C)CCCC(=O)OCC 2230a_100000225617_100009991533 [0,2,0,0,0,0|0,0,2]=4 13420 B12R0.285 C=CCN(C)CCCC(=O)OCC 269982a_100000225617_100009991533 [0,2,0,0,0,0|0,0,2]=4 13421 B12R0.285 C=CC[C@@H](C)OCCC(=O)OCC 34a_100000731007_100000765890 [0,2,0,0,0,0|0,0,2]=4 13422 B12R0.285 C=CC[C@@H](C)OCCC(=O)OCC 7a_100000731007_100011206558 [0,2,0,0,0,0|0,0,2]=4 13423 B12R0.285 C=CC[C@@H](N)COCC(=O)OCC 34a_100020615467_100000188475 [0,2,0,0,0,0|0,0,2]=4 13424 B12R0.285 C=COC(=O)COCC(C)CCC 34a_100000688023_100000036128 [0,2,0,0,0,0|0,0,2]=4 13425 B12R0.285 C=COC(=O)COC[C@@H](N)CCC 34a_100000732646_100000036128 [0,2,0,0,0,0|0,0,2]=4 13426 B12R0.285 C=COC(=O)CSCC(C)CCC 62a_100000036128_100011216630 [0,2,0,0,0,0|0,0,2]=4 13427 B12R0.285 C=COC(=O)CSCC(C)CCC 62a_100011216630_100000036128 [0,2,0,0,0,0|0,0,2]=4 13428 B12R0.285 CC#CC(=O)CCCC(=O)OCC 1458a_100000763181_100011215271 [0,2,0,0,0,0|0,0,2]=4 13429 B12R0.285 CC#CC(C)OCCC(=O)OCC 34a_100011216543_100000765890 [0,2,0,0,0,0|0,0,2]=4 13430 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,2,0,0,0,0|0,0,2]=4 13431 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,2,0,0,0,0|1,0,0]=3 13432 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,2,0,0,0,0|0,0,0]=2 13433 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,2,0,0,0,0|0,0,0]=2 13434 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,2,0,0,0,0|0,0,1]=3 13435 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,2,0,0,0,0|1,0,1]=4 13436 B12R0.285 CCCC(=O)CNCC(O)COC 2230a_100000756049_100000747444 [0,2,0,0,0,0|2,0,0]=4 13437 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,2,0,0,0,0|1,0,0]=3 13438 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,2,0,0,0,0|1,0,1]=4 13439 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,2,0,0,0,0|1,0,1]=4 13440 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,2,0,0,0,0|1,0,1]=4 13441 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,2,0,0,0,0|0,0,1]=3 13442 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,2,0,0,0,0|0,0,1]=3 13443 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,2,0,0,0,0|1,0,0]=3 13444 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,2,0,0,0,0|1,0,0]=3 13445 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100000747444_100011215053 [0,2,0,0,0,0|2,0,0]=4 13446 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100011215053_100000747444 [0,2,0,0,0,0|2,0,0]=4 13447 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 13448 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 13449 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 13450 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,2,0,0,0,0|1,0,1]=4 13451 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,2,0,0,0,0|0,0,1]=3 13452 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,2,0,0,0,0|2,0,0]=4 13453 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,2,0,0,0,0|2,0,0]=4 13454 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,2,0,0,0,0|2,0,0]=4 13455 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [0,2,0,0,0,0|1,0,0]=3 13456 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [0,2,0,0,0,0|1,0,0]=3 13457 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,2,0,0,0,0|1,0,0]=3 13458 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,2,0,0,0,0|1,0,0]=3 13459 B12R0.285 CCCC(C)COCC(=O)NCO 34a_100000688023_100000185155 [0,2,0,0,0,0|2,0,0]=4 13460 B12R0.285 CCCC(C)COCC(=O)NCO 7a_100000688023_100000185155 [0,2,0,0,0,0|2,0,0]=4 13461 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,2,0,0,0,0|0,0,0]=2 13462 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,2,0,0,0,0|0,0,0]=2 13463 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [0,2,0,0,0,0|1,0,0]=3 13464 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [0,2,0,0,0,0|1,0,0]=3 13465 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100000185155_100011216630 [0,2,0,0,0,0|2,0,0]=4 13466 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100011216630_100000185155 [0,2,0,0,0,0|2,0,0]=4 13467 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,2,0,0,0,0|0,0,0]=2 13468 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,2,0,0,0,0|0,0,0]=2 13469 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [0,2,0,0,0,0|1,0,0]=3 13470 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [0,2,0,0,0,0|1,0,0]=3 13471 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [0,2,0,0,0,0|1,0,0]=3 13472 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,2,0,0,0,0|0,0,0]=2 13473 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,2,0,0,0,0|1,0,0]=3 13474 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,2,0,0,0,0|0,0,0]=2 13475 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,2,0,0,0,0|0,0,0]=2 13476 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [0,2,0,0,0,0|1,0,0]=3 13477 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [0,2,0,0,0,0|1,0,0]=3 13478 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,2,0,0,0,0|0,0,0]=2 13479 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,2,0,0,0,0|0,0,0]=2 13480 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,2,0,0,0,0|1,0,0]=3 13481 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 2230a_100000747261_100016267167 [0,2,0,0,0,0|0,0,2]=4 13482 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 269982a_100000747261_100016267167 [0,2,0,0,0,0|0,0,2]=4 13483 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,2,0,0,0,0|0,0,0]=2 13484 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,2,0,0,0,0|0,0,0]=2 13485 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,2,0,0,0,0|1,0,0]=3 13486 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,2,0,0,0,0|1,0,0]=3 13487 B12R0.285 CCC[C@H](N)COCC(=O)NCO 34a_100000732646_100000185155 [0,2,0,0,0,0|2,0,0]=4 13488 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,2,0,0,0,0|0,0,0]=2 13489 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,2,0,0,0,0|1,0,1]=4 13490 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,2,0,0,0,0|1,0,1]=4 13491 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,2,0,0,0,0|1,0,1]=4 13492 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,2,0,0,0,0|1,0,1]=4 13493 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,2,0,0,0,0|1,0,1]=4 13494 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,2,0,0,0,0|0,0,1]=3 13495 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,2,0,0,0,0|0,0,1]=3 13496 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,2,0,0,0,0|0,0,1]=3 13497 B12R0.285 CCNC(=O)CCNC(C)CCO 34a_100025743525_100009893172 [0,2,0,0,0,0|2,0,0]=4 13498 B12R0.285 CCNC(=O)CCNC(C)COC 270004a_100025743525_100000749346 [0,2,0,0,0,0|2,0,0]=4 13499 B12R0.285 CCNC(=O)CCNC(C)COC 34a_100025743525_100000765312 [0,2,0,0,0,0|2,0,0]=4 13500 B12R0.285 CCNC(=O)CCNC(C)CSC 270004a_100025743525_100011216314 [0,2,0,0,0,0|2,0,0]=4 13501 B12R0.285 CCNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737597 [0,2,0,0,0,0|2,0,0]=4 13502 B12R0.285 CCNC(=O)CCN[C@H](C)COC 2230a_100000764878_100000737597 [0,2,0,0,0,0|2,0,0]=4 13503 B12R0.285 CCNC(=O)CCSC(C)CCO 62a_100000737597_100009893172 [0,2,0,0,0,0|2,0,0]=4 13504 B12R0.285 CCNC(=O)CCSC(C)CCO 62a_100009893172_100000737597 [0,2,0,0,0,0|2,0,0]=4 13505 B12R0.285 CCNC(=O)CCSC(C)COC 62a_100000737597_100000765312 [0,2,0,0,0,0|2,0,0]=4 13506 B12R0.285 CCNC(=O)CCSC(C)COC 62a_100000765312_100000737597 [0,2,0,0,0,0|2,0,0]=4 13507 B12R0.285 CCNC(=O)CNCC(=O)OCC 2230a_100016988866_100000188475 [0,2,0,0,0,0|1,0,1]=4 13508 B12R0.285 CCNC(=O)CNCC(O)COC 2230a_100000756049_100000183381 [0,2,0,0,0,0|2,0,0]=4 13509 B12R0.285 CCNC(=O)CNCC(O)COC 34a_100000756049_100000183381 [0,2,0,0,0,0|2,0,0]=4 13510 B12R0.285 CCNC(=O)COCC(C)CCN 34a_106354213184_100000183381 [0,2,0,0,0,0|2,0,0]=4 13511 B12R0.285 CCNC(=O)COCC(N)COC 34a_100000724102_100000183381 [0,2,0,0,0,0|2,0,0]=4 13512 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000183381_100000188475 [0,2,0,0,0,0|1,0,1]=4 13513 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183381 [0,2,0,0,0,0|1,0,1]=4 13514 B12R0.285 CCNC(=O)CSCC(O)COC 62a_100000183381_100011215053 [0,2,0,0,0,0|2,0,0]=4 13515 B12R0.285 CCNC(=O)CSCC(O)COC 62a_100011215053_100000183381 [0,2,0,0,0,0|2,0,0]=4 13516 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100000210991_100011214920 [0,2,0,0,0,0|0,0,2]=4 13517 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215271 [0,2,0,0,0,0|0,0,2]=4 13518 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,2,0,0,0,0|0,0,1]=3 13519 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,2,0,0,0,0|0,0,1]=3 13520 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,2,0,0,0,0|0,0,1]=3 13521 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,2,0,0,0,0|0,0,1]=3 13522 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,2,0,0,0,0|0,0,1]=3 13523 B12R0.285 CCOC(=O)CCCC(=O)NNC 22a_100016993582_100000210991 [0,2,0,0,0,0|1,0,1]=4 13524 B12R0.285 CCOC(=O)CCCN(C)CC#N 2230a_100000748184_100009991533 [0,2,0,0,0,0|1,0,1]=4 13525 B12R0.285 CCOC(=O)CCCN(C)CCO 2230a_100000210263_100009991533 [0,2,0,0,0,0|1,0,0]=3 13526 B12R0.285 CCOC(=O)CCCN(C)CCO 269982a_100000210263_100009991533 [0,2,0,0,0,0|1,0,0]=3 13527 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [0,2,0,0,0,0|1,0,1]=4 13528 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [0,2,0,0,0,0|1,0,1]=4 13529 B12R0.285 CCOC(=O)CCN[C@@H](C)CC#N 2230a_100016994482_100011206558 [0,2,0,0,0,0|1,0,1]=4 13530 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 2230a_100000706166_100011206558 [0,2,0,0,0,0|1,0,0]=3 13531 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 34a_100000706166_100000765890 [0,2,0,0,0,0|1,0,0]=3 13532 B12R0.285 CCOC(=O)CCN[C@H](C)COC 2230a_100000764878_100011206558 [0,2,0,0,0,0|1,0,0]=3 13533 B12R0.285 CCOC(=O)CCOC(C)CCBr 34a_100012276601_100000765890 [0,2,0,0,0,0|1,0,0]=3 13534 B12R0.285 CCOC(=O)CCO[C@H](C)COC 34a_100011934205_100000765890 [0,2,0,0,0,0|1,0,0]=3 13535 B12R0.285 CCOC(=O)CCSC(C)CC#N 62a_100000765890_100009813641 [0,2,0,0,0,0|1,0,1]=4 13536 B12R0.285 CCOC(=O)CCSC(C)CC#N 62a_100009813641_100000765890 [0,2,0,0,0,0|1,0,1]=4 13537 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100000765890_100009893172 [0,2,0,0,0,0|1,0,0]=3 13538 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100009893172_100000765890 [0,2,0,0,0,0|1,0,0]=3 13539 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765312_100000765890 [0,2,0,0,0,0|1,0,0]=3 13540 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765890_100000765312 [0,2,0,0,0,0|1,0,0]=3 13541 B12R0.285 CCOC(=O)CNCC(O)COC 2230a_100000756049_100000188475 [0,2,0,0,0,0|1,0,0]=3 13542 B12R0.285 CCOC(=O)CNCC(O)COC 34a_100000756049_100000188475 [0,2,0,0,0,0|1,0,0]=3 13543 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [0,2,0,0,0,0|1,0,0]=3 13544 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [0,2,0,0,0,0|1,0,0]=3 13545 B12R0.285 CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000188475 [0,2,0,0,0,0|1,0,1]=4 13546 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100000188475_100011215053 [0,2,0,0,0,0|1,0,0]=3 13547 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100011215053_100000188475 [0,2,0,0,0,0|1,0,0]=3 13548 B12R0.285 CCOC(=O)CSC[C@@H](O)CC#N 62a_100000001066_100000188475 [0,2,0,0,0,0|1,0,1]=4 13549 B12R0.285 CCOC(=O)CSC[C@@H](O)CC#N 62a_100000188475_100000001066 [0,2,0,0,0,0|1,0,1]=4 13550 B12R0.285 CCOC(=O)NCCC(=O)CCO 1458a_100011216618_200011445536 [0,2,0,0,0,0|1,0,1]=4 13551 B12R0.285 CCOC(=O)NCCC(=O)COC 1458a_100000210968_200011445536 [0,2,0,0,0,0|1,0,1]=4 13552 B12R0.285 CCOC(=O)NCCC(=O)CSC 1458a_100000184570_200011445536 [0,2,0,0,0,0|1,0,1]=4 13553 B12R0.285 CCOC(=O)NCCN(C)CCO 269982a_100000210263_200011445536 [0,2,0,0,0,0|2,0,0]=4 13554 B12R0.285 CCOC(=O)OCSC(C)CCO 62a_100009893172_100000075025 [0,2,0,0,0,0|2,0,0]=4 13555 B12R0.285 CCOC(=O)OCSC(C)COC 62a_100000765312_100000075025 [0,2,0,0,0,0|2,0,0]=4 13556 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [0,2,0,0,0,0|1,0,1]=4 13557 B12R0.434 CCCCCCNS(=O)(=O)CCC 270084a_100000210581_100000211391 [0,2,0,0,0,0|2,0,0]=4 13558 B12R0.434 CCCCCCNS(=O)(=O)CCC 274078a_100000210581_100000211391 [0,2,0,0,0,0|2,0,0]=4 13559 B12R0.434 CCCCCCNS(=O)(=O)CCC 40a_100000210581_100000054278 [0,2,0,0,0,0|2,0,0]=4 13560 B12R0.434 CCCCCSC[Si](C)(C)OCC 62a_100000210326_200000065227 [0,2,0,0,0,0|1,1,0]=4 13561 B12R0.434 CCCCCSC[Si](C)(C)OCC 62a_200000065227_100000210326 [0,2,0,0,0,0|1,1,0]=4 13562 B12R0.434 CCCOCCC[Si](C)(C)OCC 34a_100000210258_100000070546 [0,2,0,0,0,0|1,1,0]=4 13563 B12R0.434 CCCSCCC[Si](C)(C)OCC 62a_100000070546_100000210303 [0,2,0,0,0,0|1,1,0]=4 13564 B12R0.434 CCCSCCC[Si](C)(C)OCC 62a_100000210303_100000070546 [0,2,0,0,0,0|1,1,0]=4 13565 B12R0.68 CCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747444 [0,2,0,0,0,0|1,0,1]=4 13566 B12R0.68 CCCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747444 [0,2,0,0,0,0|1,0,1]=4 13567 B12R0.68 CCCC(=O)CN(C)CC(C)CC 2230a_100000753921_100000747444 [0,2,0,0,0,0|2,0,0]=4 13568 B12R0.68 CCCC(=O)CN(C)CC(C)CC 269982a_100000753921_100000747444 [0,2,0,0,0,0|2,0,0]=4 13569 B12R0.68 CCCC(=O)NC(C)CC(C)CC 11a_100000763565_100000211992 [0,2,0,0,0,0|2,0,0]=4 13570 B12R0.68 CCCC(=O)NC(C)CC(C)CC 1626a_100000763565_100000211992 [0,2,0,0,0,0|2,0,0]=4 13571 B12R0.68 CCCC(=O)NC(C)CC(C)CC 240690a_100000763565_100000211992 [0,2,0,0,0,0|2,0,0]=4 13572 B12R0.68 CCCC(=O)NC(C)CC(C)CC 527a_100000763565_100000211992 [0,2,0,0,0,0|2,0,0]=4 13573 B12R0.68 CCNC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000183381 [0,2,0,0,0,0|1,0,1]=4 13574 B12R0.68 CCNC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000183381 [0,2,0,0,0,0|1,0,1]=4 13575 B12R0.68 CCNC(=O)CN(C)CC(C)CC 2230a_100000741943_100000748023 [0,2,0,0,0,0|2,0,0]=4 13576 B12R0.68 CCNC(=O)CN(C)CC(C)CC 2230a_100000753921_100000183381 [0,2,0,0,0,0|2,0,0]=4 13577 B12R0.68 CCNC(=O)CN(C)CC(C)CC 269982a_100000741943_100000748023 [0,2,0,0,0,0|2,0,0]=4 13578 B12R0.68 CCNC(=O)CN(C)CC(C)CC 269982a_100000753921_100000183381 [0,2,0,0,0,0|2,0,0]=4 13579 B12R0.68 CCNC(=O)CN(C)CC(C)CC 270004a_100000741943_100000243153 [0,2,0,0,0,0|2,0,0]=4 13580 B12R0.68 CCNC(=O)CN(C)CC(O)CC 2230a_100000741943_100011218378 [0,2,0,0,0,0|2,0,0]=4 13581 B12R0.68 CCNC(=O)CN(C)CC(O)CC 269982a_100000741943_100011218378 [0,2,0,0,0,0|2,0,0]=4 13582 B12R0.68 CCNC(=O)CN(C)C[C@@H](C)CC 2230a_100000741943_100009816398 [0,2,0,0,0,0|2,0,0]=4 13583 B12R0.68 CCNC(=O)CN(C)C[C@@H](C)CC 269982a_100000741943_100009816398 [0,2,0,0,0,0|2,0,0]=4 13584 B12R0.68 CCNC(=O)NC(C)CC(C)CC 2708a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 13585 B12R0.68 CCNC(=O)NC(C)CC(C)CC 2708a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 13586 B12R0.68 CCNC(=O)NC(C)CC(C)CC 273464a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 13587 B12R0.68 CCNC(=O)NC(C)CC(C)CC 273464a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 13588 B12R0.68 CCNC(=O)NC(C)CC(C)CC 512a_100000763565_100015525214 [0,2,0,0,0,0|2,0,0]=4 13589 B12R0.68 CCNC(=O)NC(C)CC(C)CC 512a_100015525214_100000763565 [0,2,0,0,0,0|2,0,0]=4 13590 B12R0.68 CCOC(=O)CC(=O)CC(=O)CC 1458a_100000243816_100000747405 [0,2,0,0,0,0|0,0,2]=4 13591 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000243816_100000748023 [0,2,0,0,0,0|0,0,1]=3 13592 B12R0.68 CCOC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000188475 [0,2,0,0,0,0|0,0,1]=3 13593 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100000243816_100011218378 [0,2,0,0,0,0|0,0,1]=3 13594 B12R0.68 CCOC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000188475 [0,2,0,0,0,0|0,0,1]=3 13595 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 1458a_100116209913_100000188475 [0,2,0,0,0,0|1,0,1]=4 13596 B12R0.68 CCOC(=O)CC(=O)CN(C)CC 269982a_100000225621_100000210311 [0,2,0,0,0,0|1,0,1]=4 13597 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CC 1458a_100000243816_100009816398 [0,2,0,0,0,0|0,0,1]=3 13598 B12R0.68 CCOC(=O)CC(=O)C[C@@H](C)CO 1458a_100000243816_100000059175 [0,2,0,0,0,0|1,0,1]=4 13599 B12R0.68 CCOC(=O)CC(=O)NC(C)CC 240690a_100000209981_100000243816 [0,2,0,0,0,0|1,0,1]=4 13600 B12R0.68 CCOC(=O)CC(C)NC(=O)CC 188690a_100000686176_100000210414 [0,2,0,0,0,0|1,0,1]=4 13601 B12R0.68 CCOC(=O)CC(C)NC(C)CC 2230a_100000209981_100009817359 [0,2,0,0,0,0|1,0,0]=3 13602 B12R0.68 CCOC(=O)CC(C)N[C@H](C)CO 2230a_100000737577_100009817359 [0,2,0,0,0,0|2,0,0]=4 13603 B12R0.68 CCOC(=O)CC(C)OC(C)CC 7a_100000210228_100009817359 [0,2,0,0,0,0|1,0,0]=3 13604 B12R0.68 CCOC(=O)CC(C)OC(C)CF 7a_100016041109_100009817359 [0,2,0,0,0,0|2,0,0]=4 13605 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100000758301_100009817359 [0,2,0,0,0,0|1,0,0]=3 13606 B12R0.68 CCOC(=O)CC(C)SC(C)CC 62a_100009817359_100000758301 [0,2,0,0,0,0|1,0,0]=3 13607 B12R0.68 CCOC(=O)CC(C)SC(C)CO 62a_100012180447_100009817359 [0,2,0,0,0,0|2,0,0]=4 13608 B12R0.68 CCOC(=O)CC(C)SC(C)OC 62a_100009817359_100009879195 [0,2,0,0,0,0|2,0,0]=4 13609 B12R0.68 CCOC(=O)CC(C)SC(C)OC 62a_100009879195_100009817359 [0,2,0,0,0,0|2,0,0]=4 13610 B12R0.68 CCOC(=O)CC(C)S[C@H](C)CO 62a_100009817359_100016084084 [0,2,0,0,0,0|2,0,0]=4 13611 B12R0.68 CCOC(=O)CC(C)S[C@H](C)CO 62a_100016084084_100009817359 [0,2,0,0,0,0|2,0,0]=4 13612 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000220588_100000748023 [0,2,0,0,0,0|1,0,0]=3 13613 B12R0.68 CCOC(=O)CN(C)CC(C)CC 2230a_100000753921_100000188475 [0,2,0,0,0,0|1,0,0]=3 13614 B12R0.68 CCOC(=O)CN(C)CC(C)CC 269982a_100000753921_100000188475 [0,2,0,0,0,0|1,0,0]=3 13615 B12R0.68 CCOC(=O)CN(C)CC(C)CC 270004a_100000220588_100000243153 [0,2,0,0,0,0|1,0,0]=3 13616 B12R0.68 CCOC(=O)CN(C)CC(O)CC 2230a_100000220588_100011218378 [0,2,0,0,0,0|1,0,0]=3 13617 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100000220588_100011219619 [0,2,0,0,0,0|2,0,0]=4 13618 B12R0.68 CCOC(=O)CN(C)CC(O)CO 2230a_100011216503_100000188475 [0,2,0,0,0,0|2,0,0]=4 13619 B12R0.68 CCOC(=O)CN(C)CC(O)CO 269982a_100011216503_100000188475 [0,2,0,0,0,0|2,0,0]=4 13620 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CC 2230a_100000220588_100009816398 [0,2,0,0,0,0|1,0,0]=3 13621 B12R0.68 CCOC(=O)CN(C)C[C@@H](C)CO 2230a_100000220588_100000059175 [0,2,0,0,0,0|2,0,0]=4 13622 B12R0.68 CCOC(=O)CN(C)C[C@@H](O)CF 2230a_100000220588_100015614560 [0,2,0,0,0,0|2,0,0]=4 13623 B12R0.68 CCOC(=O)CN(C)C[C@@H](O)CO 2230a_100000220588_100009815848 [0,2,0,0,0,0|2,0,0]=4 13624 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CC 7a_100009816390_100000758301 [0,2,0,0,0,0|1,0,0]=3 13625 B12R0.68 CCOC(=O)C[C@@H](C)OC(C)CO 7a_100009816390_100012180447 [0,2,0,0,0,0|2,0,0]=4 13626 B12R0.68 CCOC(=O)C[C@H](O)CN(C)CC 269982a_100000225621_100000688340 [0,2,0,0,0,0|1,0,0]=3 13627 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000036008_100000758301 [0,2,0,0,0,0|2,0,0]=4 13628 B12R0.68 CCOC(=O)OC(C)SC(C)CC 62a_100000758301_100000036008 [0,2,0,0,0,0|2,0,0]=4 13629 B12R0.69 C=C(CN(C)CCC)C(=O)OCC 269982a_100000747261_100000755967 [0,2,0,0,0,0|1,0,1]=4 13630 B12R0.69 CCCC(=O)C(C)CC(=O)OCC 1458a_100000211992_100009817359 [0,2,0,0,0,0|0,0,1]=3 13631 B12R0.69 CCCC(=O)CC(=O)C(C)CCC 1458a_100000210906_100000747444 [0,2,0,0,0,0|1,0,1]=4 13632 B12R0.69 CCCC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000747444 [0,2,0,0,0,0|1,0,1]=4 13633 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000211992 [0,2,0,0,0,0|1,0,1]=4 13634 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000211992 [0,2,0,0,0,0|1,0,1]=4 13635 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000211992 [0,2,0,0,0,0|1,0,1]=4 13636 B12R0.69 CCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000211992 [0,2,0,0,0,0|1,0,1]=4 13637 B12R0.69 CCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000211992 [0,2,0,0,0,0|1,0,1]=4 13638 B12R0.69 CCCC(C)C(=O)CC(=O)NCC 1458a_100000210906_100000183381 [0,2,0,0,0,0|1,0,1]=4 13639 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000210906_100000188475 [0,2,0,0,0,0|0,0,1]=3 13640 B12R0.69 CCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_100000766640 [0,2,0,0,0,0|0,0,1]=3 13641 B12R0.69 CCCC(C)CC(=O)C(=O)NCC 1458a_200011297158_100011216630 [0,2,0,0,0,0|1,0,1]=4 13642 B12R0.69 CCCC(C)N(C)CC(=O)NCC 2230a_100000741943_100000766640 [0,2,0,0,0,0|2,0,0]=4 13643 B12R0.69 CCCC(C)N(C)CC(=O)NCC 269982a_100000741943_100000766640 [0,2,0,0,0,0|2,0,0]=4 13644 B12R0.69 CCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100000211909 [0,2,0,0,0,0|2,0,0]=4 13645 B12R0.69 CCCC(C)N(C)CC(=O)OCC 2230a_100000220588_100000766640 [0,2,0,0,0,0|1,0,0]=3 13646 B12R0.69 CCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000211909 [0,2,0,0,0,0|1,0,0]=3 13647 B12R0.69 CCCC(C)NC(=O)C(=O)OCC 11a_100000741246_100014798877 [0,2,0,0,0,0|1,0,1]=4 13648 B12R0.69 CCCC(C)NC(=O)C(=O)OCC 1626a_100000741246_100014798877 [0,2,0,0,0,0|1,0,1]=4 13649 B12R0.69 CCCC(C)NC(=O)C(=O)OCC 240690a_100000741246_100014798877 [0,2,0,0,0,0|1,0,1]=4 13650 B12R0.69 CCCC(C)NC(C)C(=O)NCC 2230a_100000736553_100000766640 [0,2,0,0,0,0|2,0,0]=4 13651 B12R0.69 CCCC(C)NC(C)C(=O)NCC 2230a_100000741246_100000230173 [0,2,0,0,0,0|2,0,0]=4 13652 B12R0.69 CCCC(C)NC(C)C(=O)NCC 270004a_100000736553_100000211909 [0,2,0,0,0,0|2,0,0]=4 13653 B12R0.69 CCCC(C)NC(C)C(=O)NCC 34a_100000736553_100000766640 [0,2,0,0,0,0|2,0,0]=4 13654 B12R0.69 CCCC(C)NC(C)C(=O)OCC 2230a_100000741246_100011215307 [0,2,0,0,0,0|1,0,0]=3 13655 B12R0.69 CCCC(C)NC(F)C(=O)OCC 2230a_100000741246_100000760018 [0,2,0,0,0,0|1,0,0]=3 13656 B12R0.69 CCCC(C)N[C@@H](C)C(=O)SCC 2230a_100103168634_100000766640 [0,2,0,0,0,0|1,1,0]=4 13657 B12R0.69 CCCC(C)OC(C)C(=O)NCC 34a_100000764384_100000230173 [0,2,0,0,0,0|2,0,0]=4 13658 B12R0.69 CCCC(C)OC(C)C(=O)NCC 7a_100000764384_100000230173 [0,2,0,0,0,0|2,0,0]=4 13659 B12R0.69 CCCC(C)OC(C)C(=O)OCC 34a_100000764384_100011216346 [0,2,0,0,0,0|1,0,0]=3 13660 B12R0.69 CCCC(C)OC(C)C(=O)OCC 7a_100000764384_100011216346 [0,2,0,0,0,0|1,0,0]=3 13661 B12R0.69 CCCC(C)OC(F)C(=O)OCC 34a_100000764384_100000760018 [0,2,0,0,0,0|1,0,0]=3 13662 B12R0.69 CCCC(C)OC(F)C(=O)OCC 7a_100000764384_100000040065 [0,2,0,0,0,0|1,0,0]=3 13663 B12R0.69 CCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_100000766640 [0,2,0,0,0,0|1,0,0]=3 13664 B12R0.69 CCCC(C)SC(C)C(=O)NCC 62a_100000230173_100000766640 [0,2,0,0,0,0|2,0,0]=4 13665 B12R0.69 CCCC(C)SC(C)C(=O)NCC 62a_100000766640_100000230173 [0,2,0,0,0,0|2,0,0]=4 13666 B12R0.69 CCCC(C)SC(C)C(=O)OCC 62a_100000766640_100011216346 [0,2,0,0,0,0|1,0,0]=3 13667 B12R0.69 CCCC(C)SC(C)C(=O)OCC 62a_100011216346_100000766640 [0,2,0,0,0,0|1,0,0]=3 13668 B12R0.69 CCCC(C)SC(F)C(=O)OCC 62a_100000760018_100000766640 [0,2,0,0,0,0|1,0,0]=3 13669 B12R0.69 CCCC(C)SC(F)C(=O)OCC 62a_100000766640_100000760018 [0,2,0,0,0,0|1,0,0]=3 13670 B12R0.69 CCCN(C)C(=O)CC(=O)OCC 240690a_100000747261_100000243816 [0,2,0,0,0,0|1,0,1]=4 13671 B12R0.69 CCCN(C)C(C)CC(=O)OCC 2230a_100000747261_100009817359 [0,2,0,0,0,0|1,0,0]=3 13672 B12R0.69 CCCN(C)C(C)CC(=O)OCC 269982a_100000747261_100009817359 [0,2,0,0,0,0|1,0,0]=3 13673 B12R0.69 CCCN(C)C(C)OC(=O)OCC 269982a_100000747261_100000036008 [0,2,0,0,0,0|2,0,0]=4 13674 B12R0.69 CCCN(C)CC(=O)C(=O)OCC 269982a_100000747261_100000211299 [0,2,0,0,0,0|1,0,1]=4 13675 B12R0.69 CCC[C@H](O)C(=O)CC(=O)NCC 1458a_100009822183_100000183381 [0,2,0,0,0,0|1,0,1]=4 13676 B12R0.69 CCC[C@H](O)C(=O)CC(=O)OCC 1458a_100009822183_100000188475 [0,2,0,0,0,0|0,0,1]=3 13677 B12R0.69 CCOC(=O)C(C)N[C@H](C)CCO 2230a_100000706166_100011215307 [0,2,0,0,0,0|2,0,0]=4 13678 B12R0.69 CCOC(=O)C(C)N[C@H](C)CCO 34a_100000706166_100011216346 [0,2,0,0,0,0|2,0,0]=4 13679 B12R0.69 CCOC(=O)C(C)N[C@H](C)COC 2230a_100000764878_100011215307 [0,2,0,0,0,0|2,0,0]=4 13680 B12R0.69 CCOC(=O)C(C)OC(C)CCBr 34a_100012276601_100011216346 [0,2,0,0,0,0|2,0,0]=4 13681 B12R0.69 CCOC(=O)C(C)O[C@H](C)COC 34a_100011934205_100011216346 [0,2,0,0,0,0|2,0,0]=4 13682 B12R0.69 CCOC(=O)C(C)SC(C)CCO 62a_100009893172_100011216346 [0,2,0,0,0,0|2,0,0]=4 13683 B12R0.69 CCOC(=O)C(C)SC(C)CCO 62a_100011216346_100009893172 [0,2,0,0,0,0|2,0,0]=4 13684 B12R0.69 CCOC(=O)C(C)SC(C)COC 62a_100000765312_100011216346 [0,2,0,0,0,0|2,0,0]=4 13685 B12R0.69 CCOC(=O)C(C)SC(C)COC 62a_100011216346_100000765312 [0,2,0,0,0,0|2,0,0]=4 13686 B12R0.69 CCOC(=O)C(F)N[C@H](C)CCO 2230a_100000706166_100000760018 [0,2,0,0,0,0|2,0,0]=4 13687 B12R0.69 CCOC(=O)C(F)N[C@H](C)CCO 34a_100000706166_100000760018 [0,2,0,0,0,0|2,0,0]=4 13688 B12R0.69 CCOC(=O)C(F)N[C@H](C)COC 2230a_100000764878_100000760018 [0,2,0,0,0,0|2,0,0]=4 13689 B12R0.69 CCOC(=O)C(F)OC(C)CCBr 34a_100012276601_100000760018 [0,2,0,0,0,0|2,0,0]=4 13690 B12R0.69 CCOC(=O)C(F)O[C@H](C)COC 34a_100011934205_100000760018 [0,2,0,0,0,0|2,0,0]=4 13691 B12R0.69 CCOC(=O)C(F)SC(C)CCO 62a_100000760018_100009893172 [0,2,0,0,0,0|2,0,0]=4 13692 B12R0.69 CCOC(=O)C(F)SC(C)CCO 62a_100009893172_100000760018 [0,2,0,0,0,0|2,0,0]=4 13693 B12R0.69 CCOC(=O)C(F)SC(C)COC 62a_100000760018_100000765312 [0,2,0,0,0,0|2,0,0]=4 13694 B12R0.69 CCOC(=O)C(F)SC(C)COC 62a_100000765312_100000760018 [0,2,0,0,0,0|2,0,0]=4 13695 B12R0.69 CCOC(=O)CC(=O)C(C)CCO 1458a_100000243816_100009893172 [0,2,0,0,0,0|1,0,1]=4 13696 B12R0.69 CCOC(=O)CC(=O)C(C)COC 1458a_100000243816_100000765312 [0,2,0,0,0,0|1,0,1]=4 13697 B12R0.69 CCOC(=O)CC(=O)C(C)COC 1458a_100000751857_100000188475 [0,2,0,0,0,0|1,0,1]=4 13698 B12R0.69 CCOC(=O)CC(=O)C(C)CSC 1458a_100000753918_100000188475 [0,2,0,0,0,0|1,0,1]=4 13699 B12R0.69 CCOC(=O)CC(=O)C(C)OCC 1458a_100000739345_100000188475 [0,2,0,0,0,0|1,0,1]=4 13700 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 1458a_100000230601_100000188475 [0,2,0,0,0,0|1,0,1]=4 13701 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 62a_100000210202_100010090504 [0,2,0,0,0,0|1,0,1]=4 13702 B12R0.69 CCOC(=O)CC(=O)C(C)SCC 62a_100010090504_100000210202 [0,2,0,0,0,0|1,0,1]=4 13703 B12R0.69 CCOC(=O)CC(C)C(=O)CCO 1458a_100011216618_100009817359 [0,2,0,0,0,0|1,0,1]=4 13704 B12R0.69 CCOC(=O)CC(C)C(=O)COC 1458a_100000210968_100009817359 [0,2,0,0,0,0|1,0,1]=4 13705 B12R0.69 CCOC(=O)CC(C)C(=O)CSC 1458a_100000184570_100009817359 [0,2,0,0,0,0|1,0,1]=4 13706 B12R0.69 CCOC(=O)CC(C)N(C)CCO 2230a_100000210263_100009817359 [0,2,0,0,0,0|2,0,0]=4 13707 B12R0.69 CCOC(=O)CC(C)N(C)CCO 269982a_100000210263_100009817359 [0,2,0,0,0,0|2,0,0]=4 13708 B12R0.69 CCOC(=O)CN(C)C(C)CCO 2230a_100000220588_100009893172 [0,2,0,0,0,0|2,0,0]=4 13709 B12R0.69 CCOC(=O)CN(C)C(C)CCO 2230a_100000731037_100000188475 [0,2,0,0,0,0|2,0,0]=4 13710 B12R0.69 CCOC(=O)CN(C)C(C)CCO 269982a_100000731037_100000188475 [0,2,0,0,0,0|2,0,0]=4 13711 B12R0.69 CCOC(=O)CN(C)C(C)COC 2230a_100000220588_100000765312 [0,2,0,0,0,0|2,0,0]=4 13712 B12R0.69 CCOC(=O)CN(C)C(C)COC 270004a_100000220588_100000749346 [0,2,0,0,0,0|2,0,0]=4 13713 B12R0.69 CCOC(=O)CN(C)C(C)CSC 270004a_100000220588_100011216314 [0,2,0,0,0,0|2,0,0]=4 13714 B12R0.69 CCOC(=O)[C@H](C)OC(C)CCO 7a_100000751109_100009893172 [0,2,0,0,0,0|2,0,0]=4 13715 B12R0.69 CCOC(=O)[C@H](C)OC(C)COC 7a_100000751109_100000765312 [0,2,0,0,0,0|2,0,0]=4 13716 B12R0.103 C=C(CC(=O)CCCC)OCOC 1458a_100000210183_100000042856 [0,2,0,0,0,0|1,0,1]=4 13717 B12R0.103 C=C(CN(C)CCCC)OCOC 269982a_100000207549_100000042856 [0,2,0,0,0,0|2,0,0]=4 13718 B12R0.103 C=CCOC(=O)CC(=O)CCCC 1458a_100000210183_100000033060 [0,2,0,0,0,0|0,0,2]=4 13719 B12R0.103 C=CCOC(=O)CN(C)CCCC 2230a_100000207549_100000033060 [0,2,0,0,0,0|1,0,1]=4 13720 B12R0.103 C=CCOC(=O)CN(C)CCCC 269982a_100000207549_100000033060 [0,2,0,0,0,0|1,0,1]=4 13721 B12R0.103 CCC=CC(=O)NC(C)CCCC 11a_100000126638_100000212282 [0,2,0,0,0,0|2,0,0]=4 13722 B12R0.103 CCC=CC(=O)NC(C)CCCC 1626a_100000126638_100000212282 [0,2,0,0,0,0|2,0,0]=4 13723 B12R0.103 CCC=CC(=O)NC(C)CCCC 240690a_100000126638_100000212282 [0,2,0,0,0,0|2,0,0]=4 13724 B12R0.103 CCCCC(=O)CC(=O)NCCC 1458a_100000210183_100000183358 [0,2,0,0,0,0|1,0,1]=4 13725 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [0,2,0,0,0,0|0,0,1]=3 13726 B12R0.103 CCCCC(=O)NC(C)CCCC 11a_100000126638_100000210183 [0,2,0,0,0,0|2,0,0]=4 13727 B12R0.103 CCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210183 [0,2,0,0,0,0|2,0,0]=4 13728 B12R0.103 CCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210183 [0,2,0,0,0,0|2,0,0]=4 13729 B12R0.103 CCCCC(=O)NC(C)CCCC 527a_100000126638_100000210183 [0,2,0,0,0,0|2,0,0]=4 13730 B12R0.103 CCCCC(C)NC(=O)CCOC 11a_100000126638_100000749529 [0,2,0,0,0,0|2,0,0]=4 13731 B12R0.103 CCCCC(C)NC(=O)CCOC 1626a_100000126638_100000749529 [0,2,0,0,0,0|2,0,0]=4 13732 B12R0.103 CCCCC(C)NC(=O)CCOC 240690a_100000126638_100000749529 [0,2,0,0,0,0|2,0,0]=4 13733 B12R0.103 CCCCC(C)NC(=O)CCOC 527a_100000126638_100000749529 [0,2,0,0,0,0|2,0,0]=4 13734 B12R0.103 CCCCC(C)NC(=O)CCSC 11a_100000126638_100000174002 [0,2,0,0,0,0|2,0,0]=4 13735 B12R0.103 CCCCC(C)NC(=O)CCSC 1626a_100000126638_100000174002 [0,2,0,0,0,0|2,0,0]=4 13736 B12R0.103 CCCCC(C)NC(=O)CCSC 240690a_100000126638_100000174002 [0,2,0,0,0,0|2,0,0]=4 13737 B12R0.103 CCCCC(C)NC(=O)CCSC 527a_100000126638_100000174002 [0,2,0,0,0,0|2,0,0]=4 13738 B12R0.103 CCCCC(C)NC(=O)COCC 11a_100000126638_100000211967 [0,2,0,0,0,0|1,0,0]=3 13739 B12R0.103 CCCCC(C)NC(=O)COCC 1626a_100000126638_100000211967 [0,2,0,0,0,0|1,0,0]=3 13740 B12R0.103 CCCCC(C)NC(=O)COCC 240690a_100000126638_100000211967 [0,2,0,0,0,0|1,0,0]=3 13741 B12R0.103 CCCCC(C)NC(=O)COCC 527a_100000126638_100000211967 [0,2,0,0,0,0|1,0,0]=3 13742 B12R0.103 CCCCC(C)NC(=O)CSCC 11a_100000126638_100000230394 [0,2,0,0,0,0|1,1,0]=4 13743 B12R0.103 CCCCC(C)NC(=O)CSCC 1626a_100000126638_100000230394 [0,2,0,0,0,0|1,1,0]=4 13744 B12R0.103 CCCCC(C)NC(=O)CSCC 240690a_100000126638_100000230394 [0,2,0,0,0,0|1,1,0]=4 13745 B12R0.103 CCCCC(C)NC(=O)CSCC 527a_100000126638_100000230394 [0,2,0,0,0,0|1,1,0]=4 13746 B12R0.103 CCCCC(C)NC(=O)NCCC 2708a_100000126638_100020643023 [0,2,0,0,0,0|2,0,0]=4 13747 B12R0.103 CCCCC(C)NC(=O)NCCC 2708a_100020643023_100000126638 [0,2,0,0,0,0|2,0,0]=4 13748 B12R0.103 CCCCC(C)NC(=O)NCCC 273464a_100000126638_100020643023 [0,2,0,0,0,0|2,0,0]=4 13749 B12R0.103 CCCCC(C)NC(=O)NCCC 273464a_100020643023_100000126638 [0,2,0,0,0,0|2,0,0]=4 13750 B12R0.103 CCCCC(C)NC(=O)NCCC 512a_100000126638_100020643023 [0,2,0,0,0,0|2,0,0]=4 13751 B12R0.103 CCCCC(C)NC(=O)NCCC 512a_100020643023_100000126638 [0,2,0,0,0,0|2,0,0]=4 13752 B12R0.103 CCCCC(C)NC(=O)NCCF 2708a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 13753 B12R0.103 CCCCC(C)NC(=O)NCCF 273464a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 13754 B12R0.103 CCCCC(C)NC(=O)NCCF 273464a_100000724931_100000126638 [0,2,0,0,0,0|2,0,0]=4 13755 B12R0.103 CCCCC(C)NC(=O)NCCF 512a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 13756 B12R0.103 CCCCC(C)NC(=O)NCCO 2708a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 13757 B12R0.103 CCCCC(C)NC(=O)NCCO 273464a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 13758 B12R0.103 CCCCC(C)NC(=O)NCCO 273464a_100000210304_100000126638 [0,2,0,0,0,0|2,0,0]=4 13759 B12R0.103 CCCCC(C)NC(=O)NCCO 512a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 13760 B12R0.103 CCCCC(C)NC(=O)NNCC 273464a_100000126638_100000756455 [0,2,0,0,0,0|2,0,0]=4 13761 B12R0.103 CCCCC(C)NC(=O)NNCC 512a_100000126638_100000756455 [0,2,0,0,0,0|2,0,0]=4 13762 B12R0.103 CCCCC(C)NC(=O)NNCC 512a_100000756455_100000126638 [0,2,0,0,0,0|2,0,0]=4 13763 B12R0.103 CCCCN(C)CC(=O)NCCC 2230a_100000207549_100000183358 [0,2,0,0,0,0|2,0,0]=4 13764 B12R0.103 CCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210211 [0,2,0,0,0,0|2,0,0]=4 13765 B12R0.103 CCCCN(C)CC(=O)NCCC 269982a_100000207549_100000183358 [0,2,0,0,0,0|2,0,0]=4 13766 B12R0.103 CCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210211 [0,2,0,0,0,0|2,0,0]=4 13767 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [0,2,0,0,0,0|1,0,0]=3 13768 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [0,2,0,0,0,0|1,0,0]=3 13769 B12R0.103 CCCNC(=O)CC(=O)COCC 1458a_100000211967_100000183358 [0,2,0,0,0,0|1,0,1]=4 13770 B12R0.103 CCCOC(=O)CC(=O)CCOC 1458a_100000749529_200011215008 [0,2,0,0,0,0|1,0,1]=4 13771 B12R0.103 CCCOC(=O)CC(=O)CCSC 1458a_100000174002_200011215008 [0,2,0,0,0,0|1,0,1]=4 13772 B12R0.103 CCCOC(=O)CC(=O)COCC 1458a_100000211967_200011215008 [0,2,0,0,0,0|1,0,1]=4 13773 B12R0.103 CCCOC(=O)CC(=O)CSCC 1458a_100000230394_200011215008 [0,2,0,0,0,0|1,0,1]=4 13774 B12R0.103 CCCOC(=O)CN(C)CCCO 2230a_100000213112_200011215008 [0,2,0,0,0,0|2,0,0]=4 13775 B12R0.103 CCCOC(=O)CN(C)CCCO 269982a_100000213112_200011215008 [0,2,0,0,0,0|2,0,0]=4 13776 B12R0.103 CCCOC(=O)CN(C)CCOC 2230a_100000743101_200011215008 [0,2,0,0,0,0|2,0,0]=4 13777 B12R0.103 CCCOC(=O)CN(C)CCOC 269982a_100000743101_200011215008 [0,2,0,0,0,0|2,0,0]=4 13778 B12R0.103 CCCOC(=O)CN(C)CCSC 2230a_100000686725_200011215008 [0,2,0,0,0,0|2,0,0]=4 13779 B12R0.103 CCCOC(=O)CN(C)CCSC 269982a_100000686725_200011215008 [0,2,0,0,0,0|2,0,0]=4 13780 B12R0.134 CCCCC(=O)CC(=O)N(C)CC 1458a_100000210183_100011894763 [0,2,0,0,0,0|1,0,1]=4 13781 B12R0.134 CCCCC(C)NC(=O)C(C)CC 11a_100000126638_100011192722 [0,2,0,0,0,0|2,0,0]=4 13782 B12R0.134 CCCCC(C)NC(=O)C(C)CC 1626a_100000126638_100011192722 [0,2,0,0,0,0|2,0,0]=4 13783 B12R0.134 CCCCC(C)NC(=O)C(C)CC 240690a_100000126638_100011192722 [0,2,0,0,0,0|2,0,0]=4 13784 B12R0.134 CCCCC(C)NC(=O)C(C)CC 527a_100000126638_100011192722 [0,2,0,0,0,0|2,0,0]=4 13785 B12R0.134 CCCCC(C)NC(=O)C(O)CC 240690a_100000126638_100011196387 [0,2,0,0,0,0|2,0,0]=4 13786 B12R0.134 CCCCC(C)NC(=O)N(C)CC 2708a_100000126638_100000225621 [0,2,0,0,0,0|2,0,0]=4 13787 B12R0.134 CCCCC(C)NC(=O)N(C)CC 273464a_100000126638_100000225621 [0,2,0,0,0,0|2,0,0]=4 13788 B12R0.134 CCCCN(C)CC(=O)N(C)CC 2230a_100000207549_100000738999 [0,2,0,0,0,0|2,0,0]=4 13789 B12R0.134 CCCCN(C)CC(=O)N(C)CC 269982a_100000207549_100000738999 [0,2,0,0,0,0|2,0,0]=4 13790 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_100000243816_100000730704 [0,2,0,0,0,0|0,0,2]=4 13791 B12R0.283 C=C(C)CCC(=O)CC(=O)OCC 1458a_200000688413_100000188475 [0,2,0,0,0,0|0,0,2]=4 13792 B12R0.283 C=C(C)CCN(C)CC(=O)OCC 2230a_100000220588_100000730704 [0,2,0,0,0,0|1,0,1]=4 13793 B12R0.283 C=C(C)CO[C@H](C)CC(=O)OCC 7a_100009816390_100000748629 [0,2,0,0,0,0|1,0,1]=4 13794 B12R0.283 C=C(C)CSC(C)CC(=O)OCC 62a_100000748629_100009817359 [0,2,0,0,0,0|1,0,1]=4 13795 B12R0.283 C=C(C)CSC(C)CC(=O)OCC 62a_100009817359_100000211660 [0,2,0,0,0,0|1,0,1]=4 13796 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [0,2,0,0,0,0|1,0,1]=4 13797 B12R0.283 CCCC(=O)CN(C)CCC(C)C 2230a_100000742789_100000747444 [0,2,0,0,0,0|2,0,0]=4 13798 B12R0.283 CCCC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747444 [0,2,0,0,0,0|2,0,0]=4 13799 B12R0.283 CCCC(=O)NC(C)CCC(C)C 11a_100138410893_100000211992 [0,2,0,0,0,0|2,0,0]=4 13800 B12R0.283 CCCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000211992 [0,2,0,0,0,0|2,0,0]=4 13801 B12R0.283 CCCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000211992 [0,2,0,0,0,0|2,0,0]=4 13802 B12R0.283 CCCC(=O)NC(C)CCC(C)C 527a_100138410893_100000211992 [0,2,0,0,0,0|2,0,0]=4 13803 B12R0.283 CCNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183381 [0,2,0,0,0,0|1,0,1]=4 13804 B12R0.283 CCNC(=O)CN(C)CCC(C)C 2230a_100000741943_100000210312 [0,2,0,0,0,0|2,0,0]=4 13805 B12R0.283 CCNC(=O)CN(C)CCC(C)C 2230a_100000742789_100000183381 [0,2,0,0,0,0|2,0,0]=4 13806 B12R0.283 CCNC(=O)CN(C)CCC(C)C 269982a_100000741943_100000210312 [0,2,0,0,0,0|2,0,0]=4 13807 B12R0.283 CCNC(=O)CN(C)CCC(C)C 269982a_100000742789_100000183381 [0,2,0,0,0,0|2,0,0]=4 13808 B12R0.283 CCNC(=O)CN(C)CCC(C)O 2230a_100000741943_100012276601 [0,2,0,0,0,0|2,0,0]=4 13809 B12R0.283 CCNC(=O)CN(C)CCC(C)O 269982a_100000741943_100012276601 [0,2,0,0,0,0|2,0,0]=4 13810 B12R0.283 CCNC(=O)NC(C)CCC(C)C 2708a_100015525214_100138410893 [0,2,0,0,0,0|2,0,0]=4 13811 B12R0.283 CCNC(=O)NC(C)CCC(C)C 2708a_100138410893_100015525214 [0,2,0,0,0,0|2,0,0]=4 13812 B12R0.283 CCNC(=O)NC(C)CCC(C)C 273464a_100138410893_100015525214 [0,2,0,0,0,0|2,0,0]=4 13813 B12R0.283 CCNC(=O)NC(C)CCC(C)C 512a_100015525214_100138410893 [0,2,0,0,0,0|2,0,0]=4 13814 B12R0.283 CCNC(=O)NC(C)CCC(C)C 512a_100138410893_100015525214 [0,2,0,0,0,0|2,0,0]=4 13815 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000188475 [0,2,0,0,0,0|0,0,1]=3 13816 B12R0.283 CCOC(=O)CC(=O)CCC(C)C 1458a_100000243816_100000210312 [0,2,0,0,0,0|0,0,1]=3 13817 B12R0.283 CCOC(=O)CC(=O)CCC(C)O 1458a_100000243816_100012276601 [0,2,0,0,0,0|0,0,1]=3 13818 B12R0.283 CCOC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000188475 [0,2,0,0,0,0|1,0,1]=4 13819 B12R0.283 CCOC(=O)CC(=O)COC(C)C 1458a_100000745533_100000188475 [0,2,0,0,0,0|1,0,1]=4 13820 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000188475 [0,2,0,0,0,0|1,0,1]=4 13821 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210311 [0,2,0,0,0,0|1,0,1]=4 13822 B12R0.283 CCOC(=O)CC(=O)CSC(C)C 62a_100000210311_100000210206 [0,2,0,0,0,0|1,0,1]=4 13823 B12R0.283 CCOC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000243816 [0,2,0,0,0,0|1,0,1]=4 13824 B12R0.283 CCOC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000243816 [0,2,0,0,0,0|1,0,1]=4 13825 B12R0.283 CCOC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817359 [0,2,0,0,0,0|1,0,0]=3 13826 B12R0.283 CCOC(=O)CC(C)NCC(C)O 2230a_100000210904_100009817359 [0,2,0,0,0,0|1,0,0]=3 13827 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100000210624_100009817359 [0,2,0,0,0,0|1,0,0]=3 13828 B12R0.283 CCOC(=O)CC(C)SCC(C)C 62a_100009817359_100000210760 [0,2,0,0,0,0|1,0,0]=3 13829 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100009817359_100011218427 [0,2,0,0,0,0|1,0,0]=3 13830 B12R0.283 CCOC(=O)CC(C)SCC(C)O 62a_100011218427_100009817359 [0,2,0,0,0,0|1,0,0]=3 13831 B12R0.283 CCOC(=O)CC(C)SCC(F)F 62a_100009817359_100011934356 [0,2,0,0,0,0|2,0,0]=4 13832 B12R0.283 CCOC(=O)CC(C)SCC(F)F 62a_100011934356_100009817359 [0,2,0,0,0,0|2,0,0]=4 13833 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817359_100009817552 [0,2,0,0,0,0|1,0,0]=3 13834 B12R0.283 CCOC(=O)CC(C)SC[C@@H](C)O 62a_100009817552_100009817359 [0,2,0,0,0,0|1,0,0]=3 13835 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000220588_100000210312 [0,2,0,0,0,0|1,0,0]=3 13836 B12R0.283 CCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000188475 [0,2,0,0,0,0|1,0,0]=3 13837 B12R0.283 CCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000188475 [0,2,0,0,0,0|1,0,0]=3 13838 B12R0.283 CCOC(=O)CN(C)CCC(C)O 2230a_100000220588_100012276601 [0,2,0,0,0,0|1,0,0]=3 13839 B12R0.283 CCOC(=O)CN(C)CCN(C)C 269982a_100000225618_100000188475 [0,2,0,0,0,0|2,0,0]=4 13840 B12R0.283 CCOC(=O)CN(C)COC(C)C 2230a_100000220588_100000709892 [0,2,0,0,0,0|2,0,0]=4 13841 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)C 7a_100009816390_100000210760 [0,2,0,0,0,0|1,0,0]=3 13842 B12R0.283 CCOC(=O)C[C@@H](C)OCC(C)O 7a_100009816390_100011218427 [0,2,0,0,0,0|1,0,0]=3 13843 B12R0.283 CCOC(=O)C[C@@H](C)OCC(F)F 7a_100009816390_100011934356 [0,2,0,0,0,0|2,0,0]=4 13844 B12R0.283 CCOC(=O)C[C@@H](C)OC[C@@H](C)O 7a_100009816390_100009817552 [0,2,0,0,0,0|1,0,0]=3 13845 B12R0.283 CCOC(=O)C[C@H](O)CNC(C)C 34a_100138425928_100000688340 [0,2,0,0,0,0|1,0,0]=3 13846 B12R0.283 CCOC(=O)C[C@H](O)COC(C)C 34a_100000212225_100000688340 [0,2,0,0,0,0|1,0,0]=3 13847 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000210206_100000688340 [0,2,0,0,0,0|1,0,0]=3 13848 B12R0.283 CCOC(=O)C[C@H](O)CSC(C)C 62a_100000688340_100000210206 [0,2,0,0,0,0|1,0,0]=3 13849 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000036008_100000210760 [0,2,0,0,0,0|2,0,0]=4 13850 B12R0.283 CCOC(=O)OC(C)SCC(C)C 62a_100000210624_100000036008 [0,2,0,0,0,0|2,0,0]=4 13851 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100000036008_100011218427 [0,2,0,0,0,0|2,0,0]=4 13852 B12R0.283 CCOC(=O)OC(C)SCC(C)O 62a_100011218427_100000036008 [0,2,0,0,0,0|2,0,0]=4 13853 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100000036008_100009817552 [0,2,0,0,0,0|2,0,0]=4 13854 B12R0.283 CCOC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100000036008 [0,2,0,0,0,0|2,0,0]=4 13855 B12R0.353 CCCCC(=O)C(C)C(=O)NCC 1458a_100000210183_100000230173 [0,2,0,0,0,0|1,0,1]=4 13856 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100000210183_100011216346 [0,2,0,0,0,0|0,0,1]=3 13857 B12R0.353 CCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210211 [0,2,0,0,0,0|0,0,1]=3 13858 B12R0.353 CCCCC(=O)C(F)C(=O)OCC 1458a_100000210183_100000760018 [0,2,0,0,0,0|0,0,1]=3 13859 B12R0.353 CCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011215066 [0,2,0,0,0,0|1,0,1]=4 13860 B12R0.353 CCCCN(C)C(=O)C(=O)OCC 11a_100000207549_100014798877 [0,2,0,0,0,0|1,0,1]=4 13861 B12R0.353 CCCCN(C)C(=O)C(=O)OCC 1626a_100000207549_100014798877 [0,2,0,0,0,0|1,0,1]=4 13862 B12R0.353 CCCCN(C)C(=O)C(=O)OCC 240690a_100000207549_100014798877 [0,2,0,0,0,0|1,0,1]=4 13863 B12R0.353 CCCCN(C)C(C)C(=O)NCC 2230a_100000207549_100000230173 [0,2,0,0,0,0|2,0,0]=4 13864 B12R0.353 CCCCN(C)C(C)C(=O)NCC 269982a_100000207549_100000230173 [0,2,0,0,0,0|2,0,0]=4 13865 B12R0.353 CCCCN(C)C(C)C(=O)OCC 2230a_100000207549_100011215307 [0,2,0,0,0,0|1,0,0]=3 13866 B12R0.353 CCCCN(C)C(C)C(=O)OCC 269982a_100000207549_100011216346 [0,2,0,0,0,0|1,0,0]=3 13867 B12R0.353 CCCCN(C)C(F)C(=O)OCC 2230a_100000207549_100000760018 [0,2,0,0,0,0|1,0,0]=3 13868 B12R0.353 CCCCN(C)C(F)C(=O)OCC 269982a_100000207549_100000760018 [0,2,0,0,0,0|1,0,0]=3 13869 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 11a_100020643023_100132301724 [0,2,0,0,0,0|1,0,1]=4 13870 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 1626a_100020643023_100132301724 [0,2,0,0,0,0|1,0,1]=4 13871 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 240690a_100020643023_100132301724 [0,2,0,0,0,0|1,0,1]=4 13872 B12R0.353 CCCNC(=O)C(C)C(=O)OCC 527a_100020643023_100132301724 [0,2,0,0,0,0|1,0,1]=4 13873 B12R0.353 CCCSC(C)C(=O)C(=O)OCC 62a_100000210303_100010256902 [0,2,0,0,0,0|1,0,1]=4 13874 B12R0.353 CCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210303 [0,2,0,0,0,0|1,0,1]=4 13875 B12R0.353 CCOC(=O)C(C)C(=O)CCCF 1458a_100132301724_100011934791 [0,2,0,0,0,0|1,0,1]=4 13876 B12R0.353 CCOC(=O)C(C)C(=O)CCCO 1458a_100132301724_100011215043 [0,2,0,0,0,0|1,0,1]=4 13877 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100000749529_100011216346 [0,2,0,0,0,0|1,0,1]=4 13878 B12R0.353 CCOC(=O)C(C)C(=O)CCOC 1458a_100132301724_100000233755 [0,2,0,0,0,0|1,0,1]=4 13879 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100000174002_100011216346 [0,2,0,0,0,0|1,0,1]=4 13880 B12R0.353 CCOC(=O)C(C)C(=O)CCSC 1458a_100132301724_100000751147 [0,2,0,0,0,0|1,0,1]=4 13881 B12R0.353 CCOC(=O)C(C)C(=O)CSCC 1458a_100000230394_100011216346 [0,2,0,0,0,0|1,0,1]=4 13882 B12R0.353 CCOC(=O)C(C)N(C)CCCO 2230a_100000213112_100011215307 [0,2,0,0,0,0|2,0,0]=4 13883 B12R0.353 CCOC(=O)C(C)N(C)CCCO 269982a_100000213112_100011216346 [0,2,0,0,0,0|2,0,0]=4 13884 B12R0.353 CCOC(=O)C(C)N(C)CCOC 2230a_100000743101_100011215307 [0,2,0,0,0,0|2,0,0]=4 13885 B12R0.353 CCOC(=O)C(C)N(C)CCOC 269982a_100000743101_100011216346 [0,2,0,0,0,0|2,0,0]=4 13886 B12R0.353 CCOC(=O)C(C)N(C)CCSC 2230a_100000686725_100011215307 [0,2,0,0,0,0|2,0,0]=4 13887 B12R0.353 CCOC(=O)C(C)N(C)CCSC 269982a_100000686725_100011216346 [0,2,0,0,0,0|2,0,0]=4 13888 B12R0.353 CCOC(=O)C(F)C(=O)CCOC 1458a_100000749529_100000760018 [0,2,0,0,0,0|1,0,1]=4 13889 B12R0.353 CCOC(=O)C(F)C(=O)CCSC 1458a_100000174002_100000760018 [0,2,0,0,0,0|1,0,1]=4 13890 B12R0.353 CCOC(=O)C(F)C(=O)CSCC 1458a_100000230394_100000760018 [0,2,0,0,0,0|1,0,1]=4 13891 B12R0.353 CCOC(=O)C(F)N(C)CCCO 2230a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 13892 B12R0.353 CCOC(=O)C(F)N(C)CCCO 269982a_100000213112_100000760018 [0,2,0,0,0,0|2,0,0]=4 13893 B12R0.353 CCOC(=O)C(F)N(C)CCOC 2230a_100000743101_100000760018 [0,2,0,0,0,0|2,0,0]=4 13894 B12R0.353 CCOC(=O)C(F)N(C)CCOC 269982a_100000743101_100000760018 [0,2,0,0,0,0|2,0,0]=4 13895 B12R0.353 CCOC(=O)C(F)N(C)CCSC 2230a_100000686725_100000760018 [0,2,0,0,0,0|2,0,0]=4 13896 B12R0.353 CCOC(=O)C(F)N(C)CCSC 269982a_100000686725_100000760018 [0,2,0,0,0,0|2,0,0]=4 13897 B12R0.353 CCOCC(=O)C(C)C(=O)OCC 1458a_100000211967_100011216346 [0,2,0,0,0,0|1,0,1]=4 13898 B12R0.353 CCOCC(=O)C(F)C(=O)OCC 1458a_100000211967_100000760018 [0,2,0,0,0,0|1,0,1]=4 13899 B12R0.607 CC#CC(=O)CC(CC)CCCC 1458a_100000763181_100000211942 [0,2,0,0,0,0|1,0,1]=4 13900 B12R0.607 CC=CC(=O)CC(CC)CCCC 1458a_100000210699_100000211942 [0,2,0,0,0,0|1,0,1]=4 13901 B12R0.607 CCCCC(CC)CC(=O)CCC 1458a_100000211992_100000211942 [0,2,0,0,0,0|1,0,0]=3 13902 B12R0.607 CCCCC(CC)CC(=O)CCO 1458a_100011216618_100000211942 [0,2,0,0,0,0|2,0,0]=4 13903 B12R0.607 CCCCC(CC)CC(=O)COC 1458a_100000210968_100000211942 [0,2,0,0,0,0|2,0,0]=4 13904 B12R0.607 CCCCC(CC)CC(=O)CSC 1458a_100000184570_100000211942 [0,2,0,0,0,0|2,0,0]=4 13905 B12R0.607 CCCCC(CC)CC(C)OCC 7a_200011290772_100000210202 [0,2,0,0,0,0|1,0,1]=4 13906 B12R0.607 CCCCN(CC)CC(=O)CCC 2230a_100000207695_100000747444 [0,2,0,0,0,0|2,0,0]=4 13907 B12R0.607 CCCCN(CC)CC(=O)CCC 269982a_100000207695_100000747444 [0,2,0,0,0,0|2,0,0]=4 13908 B12R0.607 CCCCN(CC)CC(=O)NCC 2230a_100000207695_100000183381 [0,2,0,0,0,0|2,0,0]=4 13909 B12R0.607 CCCCN(CC)CC(=O)NCC 269982a_100000207695_100000183381 [0,2,0,0,0,0|2,0,0]=4 13910 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000207695_100000188475 [0,2,0,0,0,0|1,0,0]=3 13911 B12R0.607 CCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210211 [0,2,0,0,0,0|1,0,0]=3 13912 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000207695_100000188475 [0,2,0,0,0,0|1,0,0]=3 13913 B12R0.607 CCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210211 [0,2,0,0,0,0|1,0,0]=3 13914 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 240690a_100011934283_100000211992 [0,2,0,0,0,0|2,0,0]=4 13915 B12R0.607 CCCC[C@@H](CO)NC(=O)CCC 527a_100011934283_100000211992 [0,2,0,0,0,0|2,0,0]=4 13916 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 13917 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100011934283_100015525214 [0,2,0,0,0,0|2,0,0]=4 13918 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 13919 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100011934283_100015525214 [0,2,0,0,0,0|2,0,0]=4 13920 B12R0.607 CCCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100011934283 [0,2,0,0,0,0|2,0,0]=4 13921 B12R0.607 CCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210303 [0,2,0,0,0,0|1,0,0]=3 13922 B12R0.607 CCOC(=O)CN(CC)CCCF 2230a_100000220607_100011934791 [0,2,0,0,0,0|2,0,0]=4 13923 B12R0.607 CCOC(=O)CN(CC)CCCF 269982a_100000220607_100011934791 [0,2,0,0,0,0|2,0,0]=4 13924 B12R0.607 CCOC(=O)CN(CC)CCCO 2230a_100000220607_100000230001 [0,2,0,0,0,0|2,0,0]=4 13925 B12R0.607 CCOC(=O)CN(CC)CCCO 269982a_100000220607_100011215043 [0,2,0,0,0,0|2,0,0]=4 13926 B12R0.607 CCOC(=O)CN(CC)CCOC 2230a_100000220607_100011201679 [0,2,0,0,0,0|2,0,0]=4 13927 B12R0.607 CCOC(=O)CN(CC)CCOC 2230a_100000731262_100000188475 [0,2,0,0,0,0|2,0,0]=4 13928 B12R0.607 CCOC(=O)CN(CC)CCOC 269982a_100000220607_100000233755 [0,2,0,0,0,0|2,0,0]=4 13929 B12R0.607 CCOC(=O)CN(CC)CCOC 269982a_100000731262_100000188475 [0,2,0,0,0,0|2,0,0]=4 13930 B12R0.607 CCOC(=O)CN(CC)CCSC 2230a_100000220607_100000751147 [0,2,0,0,0,0|2,0,0]=4 13931 B12R0.607 CCOC(=O)CN(CC)CCSC 269982a_100000220607_100000212216 [0,2,0,0,0,0|2,0,0]=4 13932 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCF 7a_100000688340_100011217306 [0,2,0,0,0,0|2,0,0]=4 13933 B12R0.607 CCOC(=O)C[C@@H](CCl)OCCO 7a_100000688340_100000211926 [0,2,0,0,0,0|2,0,0]=4 13934 B12R0.607 CCOCN(CC)CC(=O)OCC 269982a_100000220607_100000739092 [0,2,0,0,0,0|2,0,0]=4 13935 B12R0.661 CCCC[Si](C)(C)CC(=O)CCC 1458a_100000211992_200000073895 [0,2,0,0,0,0|1,1,0]=4 13936 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 270084a_100020643023_100000738689 [0,2,0,0,0,0|2,0,0]=4 13937 B12R0.661 CCCNS(=O)(=O)CC(=O)OCC 274078a_100020643023_100000738689 [0,2,0,0,0,0|2,0,0]=4 13938 B12R0.661 CCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210303 [0,2,0,0,0,0|1,0,0]=3 13939 B12R0.661 CCOC(=O)CC(C)(C)OCCF 7a_100000765344_100011217306 [0,2,0,0,0,0|2,0,0]=4 13940 B12R0.661 CCOC(=O)CC(C)(C)OCCO 7a_100000765344_100000211926 [0,2,0,0,0,0|2,0,0]=4 13941 B12R0.74 C#CC(CCC)OCC(=O)CCC 7a_200011217317_100000747444 [0,2,0,0,0,0|2,0,0]=4 13942 B12R0.74 C#CC(CCC)OCC(=O)NCC 34a_200011217317_100000183381 [0,2,0,0,0,0|2,0,0]=4 13943 B12R0.74 C#CC(CCC)OCC(=O)NCC 7a_200011217317_100000183381 [0,2,0,0,0,0|2,0,0]=4 13944 B12R0.74 C#CC(CCC)OCC(=O)OCC 34a_200011217317_100000188475 [0,2,0,0,0,0|1,0,0]=3 13945 B12R0.74 C#CC(CCC)OCC(=O)OCC 7a_200011217317_100000188475 [0,2,0,0,0,0|1,0,0]=3 13946 B12R0.74 C=CC(CCC)OCC(=O)CCC 7a_100011216692_100000747444 [0,2,0,0,0,0|2,0,0]=4 13947 B12R0.74 C=CC(CCC)OCC(=O)NCC 34a_100011216692_100000183381 [0,2,0,0,0,0|2,0,0]=4 13948 B12R0.74 C=CC(CCC)OCC(=O)NCC 7a_100011216692_100000183381 [0,2,0,0,0,0|2,0,0]=4 13949 B12R0.74 C=CC(CCC)OCC(=O)OCC 34a_100011216692_100000188475 [0,2,0,0,0,0|1,0,0]=3 13950 B12R0.74 C=CC(CCC)OCC(=O)OCC 7a_100011216692_100000188475 [0,2,0,0,0,0|1,0,0]=3 13951 B12R0.74 CCCC(=O)CNC(CC)CCC 2230a_100000747048_100000747444 [0,2,0,0,0,0|2,0,0]=4 13952 B12R0.74 CCCC(=O)CN[C@H](CO)CCC 2230a_100000732646_100000747444 [0,2,0,0,0,0|2,0,0]=4 13953 B12R0.74 CCCC(=O)COC(C#N)CCC 7a_100000686963_100000747444 [0,2,0,0,0,0|2,0,0]=4 13954 B12R0.74 CCCC(=O)COC(CC)CCC 7a_100000687864_100000747444 [0,2,0,0,0,0|2,0,0]=4 13955 B12R0.74 CCCC(=O)CSC(CC)CCC 62a_100000747444_100011219200 [0,2,0,0,0,0|2,0,0]=4 13956 B12R0.74 CCCC(=O)CSC(CC)CCC 62a_100011219200_100000747444 [0,2,0,0,0,0|2,0,0]=4 13957 B12R0.74 CCCC(C#N)OCC(=O)NCC 34a_100000686963_100000183381 [0,2,0,0,0,0|2,0,0]=4 13958 B12R0.74 CCCC(C#N)OCC(=O)NCC 7a_100000686963_100000183381 [0,2,0,0,0,0|2,0,0]=4 13959 B12R0.74 CCCC(C#N)OCC(=O)OCC 34a_100000686963_100000188475 [0,2,0,0,0,0|1,0,0]=3 13960 B12R0.74 CCCC(C#N)OCC(=O)OCC 7a_100000686963_100000188475 [0,2,0,0,0,0|1,0,0]=3 13961 B12R0.74 CCCC(CC)NCC(=O)NCC 2230a_100000747048_100000183381 [0,2,0,0,0,0|2,0,0]=4 13962 B12R0.74 CCCC(CC)NCC(=O)NCC 270004a_100016988866_100000687865 [0,2,0,0,0,0|2,0,0]=4 13963 B12R0.74 CCCC(CC)NCC(=O)OCC 2230a_100000747048_100000188475 [0,2,0,0,0,0|1,0,0]=3 13964 B12R0.74 CCCC(CC)OCC(=O)NCC 34a_100000687864_100000183381 [0,2,0,0,0,0|2,0,0]=4 13965 B12R0.74 CCCC(CC)OCC(=O)NCC 7a_100000687864_100000183381 [0,2,0,0,0,0|2,0,0]=4 13966 B12R0.74 CCCC(CC)OCC(=O)OCC 34a_100000687864_100000188475 [0,2,0,0,0,0|1,0,0]=3 13967 B12R0.74 CCCC(CC)OCC(=O)OCC 7a_100000687864_100000188475 [0,2,0,0,0,0|1,0,0]=3 13968 B12R0.74 CCCC(CC)SCC(=O)NCC 62a_100000183381_100011219200 [0,2,0,0,0,0|2,0,0]=4 13969 B12R0.74 CCCC(CC)SCC(=O)NCC 62a_100011219200_100000183381 [0,2,0,0,0,0|2,0,0]=4 13970 B12R0.74 CCCC(CC)SCC(=O)OCC 62a_100000188475_100011219200 [0,2,0,0,0,0|1,0,0]=3 13971 B12R0.74 CCCC(CC)SCC(=O)OCC 62a_100011219200_100000188475 [0,2,0,0,0,0|1,0,0]=3 13972 B12R0.74 CCCN(CC)CCC(=O)NCC 2230a_100000226822_100000737597 [0,2,0,0,0,0|2,0,0]=4 13973 B12R0.74 CCCN(CC)CCC(=O)NCC 269982a_100000226822_100000737597 [0,2,0,0,0,0|2,0,0]=4 13974 B12R0.74 CCCN(CC)CCC(=O)OCC 2230a_100000226822_100011206558 [0,2,0,0,0,0|1,0,0]=3 13975 B12R0.74 CCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210303 [0,2,0,0,0,0|1,0,0]=3 13976 B12R0.74 CCCN(CC)CCC(=O)OCC 269982a_100000226822_100011206558 [0,2,0,0,0,0|1,0,0]=3 13977 B12R0.74 CCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210303 [0,2,0,0,0,0|1,0,0]=3 13978 B12R0.74 CCC[C@@H](CO)NCC(=O)NCC 2230a_100000732646_100000183381 [0,2,0,0,0,0|2,0,0]=4 13979 B12R0.74 CCC[C@@H](CO)NCC(=O)NCC 34a_100000732646_100000183381 [0,2,0,0,0,0|2,0,0]=4 13980 B12R0.74 CCC[C@@H](CO)NCC(=O)OCC 2230a_100000732646_100000188475 [0,2,0,0,0,0|1,0,0]=3 13981 B12R0.74 CCC[C@@H](CO)NCC(=O)OCC 34a_100000732646_100000188475 [0,2,0,0,0,0|1,0,0]=3 13982 B12R0.74 CCOC(=O)CCN(CC)CCF 2230a_200011277716_100011217306 [0,2,0,0,0,0|2,0,0]=4 13983 B12R0.74 CCOC(=O)CCN(CC)CCF 269982a_200011277716_100011217306 [0,2,0,0,0,0|2,0,0]=4 13984 B12R0.74 CCOC(=O)CCN(CC)CCO 2230a_100000210973_100011206558 [0,2,0,0,0,0|2,0,0]=4 13985 B12R0.74 CCOC(=O)CCN(CC)CCO 2230a_200011277716_100000211926 [0,2,0,0,0,0|2,0,0]=4 13986 B12R0.74 CCOC(=O)CCN(CC)CCO 269982a_100000210973_100011206558 [0,2,0,0,0,0|2,0,0]=4 13987 B12R0.74 CCOC(=O)CCN(CC)CCO 269982a_200011277716_100000211926 [0,2,0,0,0,0|2,0,0]=4 13988 B12R0.74 CCOC(=O)CCN(CC)COC 2230a_200011277716_100000766300 [0,2,0,0,0,0|2,0,0]=4 13989 B12R0.74 CCOC(=O)CCN(CC)COC 269982a_200011277716_100000766300 [0,2,0,0,0,0|2,0,0]=4 13990 B12R0.74 CCOC(=O)CCN(CC)CSC 2230a_200011277716_100011218213 [0,2,0,0,0,0|2,0,0]=4 13991 B12R0.74 CCOC(=O)CCN(CC)CSC 269982a_200011277716_100011218213 [0,2,0,0,0,0|2,0,0]=4 13992 B12R0.74 CCOC(=O)CNC(CC)COC 2230a_100000757820_100000188475 [0,2,0,0,0,0|2,0,0]=4 13993 B12R0.74 CCOC(=O)CNC(CO)COC 2230a_100000724102_100000188475 [0,2,0,0,0,0|2,0,0]=4 13994 B12R0.74 CCOC(=O)CNC(CO)COC 34a_100000724102_100000188475 [0,2,0,0,0,0|2,0,0]=4 13995 B12R0.74 CCOC(=O)COC(CC)COC 7a_200011214946_100000188475 [0,2,0,0,0,0|2,0,0]=4 13996 B12R0.74 CCOC(=O)COC(CCl)COC 34a_100011215053_100000188475 [0,2,0,0,0,0|2,0,0]=4 13997 B12R0.74 CCOC(=O)COC(CN)COC 34a_100000756049_100000188475 [0,2,0,0,0,0|2,0,0]=4 13998 B12R0.79 CCCC(=O)COC(C)C(C)CC 7a_100011215189_100000747444 [0,2,0,0,0,0|2,0,0]=4 13999 B12R0.79 CCCC(C)NCC(=O)N(C)CC 2230a_100000741246_100000738999 [0,2,0,0,0,0|2,0,0]=4 14000 B12R0.79 CCCC(C)OCC(=O)N(C)CC 34a_100000764384_100000738999 [0,2,0,0,0,0|2,0,0]=4 14001 B12R0.79 CCCC(C)OCC(=O)N(C)CC 7a_100000764384_100000738999 [0,2,0,0,0,0|2,0,0]=4 14002 B12R0.79 CCCC(C)SCC(=O)N(C)CC 62a_100000738999_100000766640 [0,2,0,0,0,0|2,0,0]=4 14003 B12R0.79 CCCC(C)SCC(=O)N(C)CC 62a_100000766640_100000738999 [0,2,0,0,0,0|2,0,0]=4 14004 B12R0.79 CCNC(=O)CCC(=O)C(C)CC 1458a_100000199579_100000758301 [0,2,0,0,0,0|1,0,1]=4 14005 B12R0.79 CCNC(=O)CCN(C)C(C)CC 2230a_100000741768_100000737597 [0,2,0,0,0,0|2,0,0]=4 14006 B12R0.79 CCNC(=O)CCN(C)C(C)CC 269982a_100000741768_100000737597 [0,2,0,0,0,0|2,0,0]=4 14007 B12R0.79 CCNC(=O)CNC(C)C(C)CC 270004a_100016988866_100000210599 [0,2,0,0,0,0|2,0,0]=4 14008 B12R0.79 CCNC(=O)COC(C)C(C)CC 7a_100011215189_100000183381 [0,2,0,0,0,0|2,0,0]=4 14009 B12R0.79 CCOC(=O)CCC(=O)C(C)CC 1458a_100000183558_100000758301 [0,2,0,0,0,0|0,0,1]=3 14010 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 11a_100000225621_100000183558 [0,2,0,0,0,0|1,0,1]=4 14011 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 1626a_100000225621_100000183558 [0,2,0,0,0,0|1,0,1]=4 14012 B12R0.79 CCOC(=O)CCC(=O)N(C)CC 240690a_100000225621_100000183558 [0,2,0,0,0,0|1,0,1]=4 14013 B12R0.79 CCOC(=O)CCC(C)C(=O)CC 1458a_100000210414_100000748298 [0,2,0,0,0,0|0,0,1]=3 14014 B12R0.79 CCOC(=O)CCC(C)C(=O)CO 1458a_100000210174_100000748298 [0,2,0,0,0,0|1,0,1]=4 14015 B12R0.79 CCOC(=O)CCC(C)N(C)CC 2230a_100000225621_100000748298 [0,2,0,0,0,0|1,0,0]=3 14016 B12R0.79 CCOC(=O)CCC(C)N(C)CC 269982a_100000225621_100000748298 [0,2,0,0,0,0|1,0,0]=3 14017 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 11a_100000745921_100000210414 [0,2,0,0,0,0|1,0,1]=4 14018 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 1626a_100000745921_100000210414 [0,2,0,0,0,0|1,0,1]=4 14019 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 240690a_100000745921_100000210414 [0,2,0,0,0,0|1,0,1]=4 14020 B12R0.79 CCOC(=O)CCN(C)C(=O)CC 527a_100000745921_100000210414 [0,2,0,0,0,0|1,0,1]=4 14021 B12R0.79 CCOC(=O)CCN(C)C(C)CC 2230a_100000741768_100011206558 [0,2,0,0,0,0|1,0,0]=3 14022 B12R0.79 CCOC(=O)CCN(C)C(C)CC 2230a_100000745921_100000758301 [0,2,0,0,0,0|1,0,0]=3 14023 B12R0.79 CCOC(=O)CCN(C)C(C)CC 269982a_100000741768_100011206558 [0,2,0,0,0,0|1,0,0]=3 14024 B12R0.79 CCOC(=O)CCN(C)C(C)CC 269982a_100000745921_100000758301 [0,2,0,0,0,0|1,0,0]=3 14025 B12R0.79 CCOC(=O)CCN(C)C(C)CO 2230a_100000693034_100011206558 [0,2,0,0,0,0|2,0,0]=4 14026 B12R0.79 CCOC(=O)CCN(C)C(C)CO 2230a_100000745921_100012180447 [0,2,0,0,0,0|2,0,0]=4 14027 B12R0.79 CCOC(=O)CCN(C)C(C)CO 269982a_100000693034_100011206558 [0,2,0,0,0,0|2,0,0]=4 14028 B12R0.79 CCOC(=O)CCN(C)C(C)OC 269982a_100000745921_100009879195 [0,2,0,0,0,0|2,0,0]=4 14029 B12R0.79 CCOC(=O)CCN(C)[C@H](C)CO 269982a_100000745921_100016084084 [0,2,0,0,0,0|2,0,0]=4 14030 B12R0.79 CCOC(=O)CNC(=O)C(C)CC 188690a_100000741813_100011192722 [0,2,0,0,0,0|1,0,1]=4 14031 B12R0.79 CCOC(=O)CNC(=O)C(O)CC 188690a_100000741813_100011196387 [0,2,0,0,0,0|1,0,1]=4 14032 B12R0.79 CCOC(=O)COC(C)C(C)CC 7a_100011215189_100000188475 [0,2,0,0,0,0|1,0,0]=3 14033 B12R0.79 CCOC(=O)CSC(C)C(=O)CC 62a_100000188475_100000742827 [0,2,0,0,0,0|1,0,1]=4 14034 B12R0.79 CCOC(=O)CSC(C)C(=O)CC 62a_100000742827_100000188475 [0,2,0,0,0,0|1,0,1]=4 14035 B12R0.79 CCOC(=O)NCC(=O)C(C)CC 1458a_100000190774_100000758301 [0,2,0,0,0,0|1,0,1]=4 14036 B12R0.445 CCCC(=O)COC(C)(C)CCC 7a_100000748436_100000747444 [0,2,0,0,0,0|2,0,0]=4 14037 B12R0.445 CCCC(C)(C)OCC(=O)NCC 7a_100000748436_100000183381 [0,2,0,0,0,0|2,0,0]=4 14038 B12R0.445 CCCC(C)(C)OCC(=O)OCC 7a_100000748436_100000188475 [0,2,0,0,0,0|1,0,0]=3 14039 B12R0.445 CCOC(=O)CNC(C)(C)COC 2230a_100000752728_100000188475 [0,2,0,0,0,0|2,0,0]=4 14040 B12R0.445 CCOC(=O)CNC(C)(C)CSC 2230a_100000759623_100000188475 [0,2,0,0,0,0|2,0,0]=4 14041 B12R0.445 CCOC(=O)CNC(C)(C)CSC 7a_100000759623_100000188475 [0,2,0,0,0,0|2,0,0]=4 14042 B12R0.445 CCOC(=O)COC(C)(C)CCBr 7a_100000702414_100000188475 [0,2,0,0,0,0|2,0,0]=4 14043 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,2,0,0,0,0|1,0,0]=3 14044 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,2,0,0,0,0|1,0,0]=3 14045 B12R0.47 C#CCCCC(=O)CCCCCF 1458a_100000690238_100000729378 [0,2,0,0,0,0|2,0,0]=4 14046 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100000690238_100000746330 [0,2,0,0,0,0|2,0,0]=4 14047 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100102619762_100000731252 [0,2,0,0,0,0|2,0,0]=4 14048 B12R0.47 C#CCCCC(=O)CCCCOC 1458a_100000690238_100000755781 [0,2,0,0,0,0|2,0,0]=4 14049 B12R0.47 C#CCCCC(=O)CCCOCC 1458a_100000690238_100012232248 [0,2,0,0,0,0|2,0,0]=4 14050 B12R0.47 C#CCCCC(=O)CCOCCC 1458a_100000690238_100011215938 [0,2,0,0,0,0|2,0,0]=4 14051 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000690238_100011995733 [0,2,0,0,0,0|2,0,0]=4 14052 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000757543_100000731252 [0,2,0,0,0,0|2,0,0]=4 14053 B12R0.47 C#CCCCC(=O)CSCCCC 1458a_100000191162_100000731252 [0,2,0,0,0,0|2,0,0]=4 14054 B12R0.47 C#CCCCC(=O)NCCCCC 11a_100000209983_100000690238 [0,2,0,0,0,0|2,0,0]=4 14055 B12R0.47 C#CCCCC(=O)NCCCCC 1626a_100000209983_100000690238 [0,2,0,0,0,0|2,0,0]=4 14056 B12R0.47 C#CCCCC(=O)NCCCCC 240690a_100000209983_100000690238 [0,2,0,0,0,0|2,0,0]=4 14057 B12R0.47 C#CCCCC(=O)NCCCCC 527a_100000209983_100000690238 [0,2,0,0,0,0|2,0,0]=4 14058 B12R0.47 C#CCCCCC(=O)C=COCC 1458a_100016266692_100010269958 [0,2,0,0,0,0|0,0,2]=4 14059 B12R0.47 C#CCCCCC(=O)CCOCC 1458a_100000696528_100011215890 [0,2,0,0,0,0|0,0,2]=4 14060 B12R0.47 C#CCCCCC(=O)CCOCC 1458a_100000749530_100010269958 [0,2,0,0,0,0|0,0,2]=4 14061 B12R0.47 C#CCCCCC(=O)COCCC 1458a_100000745993_100010269958 [0,2,0,0,0,0|0,0,2]=4 14062 B12R0.47 C#CCCCCC(=O)COCCO 1458a_100000708028_100010269958 [0,2,0,0,0,0|0,0,2]=4 14063 B12R0.47 C#CCCNC(=O)CCCCCC 11a_100000755551_100102632555 [0,2,0,0,0,0|1,0,0]=3 14064 B12R0.47 C#CCCNC(=O)CCCCCC 1626a_100000755551_100102632555 [0,2,0,0,0,0|1,0,0]=3 14065 B12R0.47 C#CCCNC(=O)CCCCCC 240690a_100000755551_100102632555 [0,2,0,0,0,0|1,0,0]=3 14066 B12R0.47 C#CCCNC(=O)CCCCCC 527a_100000755551_100102632555 [0,2,0,0,0,0|1,0,0]=3 14067 B12R0.47 C#CCCNC(=O)CCCCCO 240690a_100000755551_100102619762 [0,2,0,0,0,0|2,0,0]=4 14068 B12R0.47 C#CCCNC(=O)COCCCC 11a_100000755551_100000757543 [0,2,0,0,0,0|2,0,0]=4 14069 B12R0.47 C#CCCNC(=O)COCCCC 1626a_100000755551_100000757543 [0,2,0,0,0,0|2,0,0]=4 14070 B12R0.47 C#CCCNC(=O)COCCCC 240690a_100000755551_100000757543 [0,2,0,0,0,0|2,0,0]=4 14071 B12R0.47 C#CCCNC(=O)COCCCC 527a_100000755551_100000757543 [0,2,0,0,0,0|2,0,0]=4 14072 B12R0.47 C#CCCNC(=O)CSCCCC 11a_100000755551_100000191162 [0,2,0,0,0,0|2,0,0]=4 14073 B12R0.47 C#CCCNC(=O)CSCCCC 1626a_100000755551_100000191162 [0,2,0,0,0,0|2,0,0]=4 14074 B12R0.47 C#CCCNC(=O)CSCCCC 240690a_100000755551_100000191162 [0,2,0,0,0,0|2,0,0]=4 14075 B12R0.47 C#CCCNC(=O)CSCCCC 527a_100000755551_100000191162 [0,2,0,0,0,0|2,0,0]=4 14076 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000209983_100000755551 [0,2,0,0,0,0|2,0,0]=4 14077 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000755551_100000209983 [0,2,0,0,0,0|2,0,0]=4 14078 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000209983_100000755551 [0,2,0,0,0,0|2,0,0]=4 14079 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000755551_100000209983 [0,2,0,0,0,0|2,0,0]=4 14080 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000209983_100000755551 [0,2,0,0,0,0|2,0,0]=4 14081 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000755551_100000209983 [0,2,0,0,0,0|2,0,0]=4 14082 B12R0.47 C#CCCOC(C)CCCCCC 34a_100000210265_100000688953 [0,2,0,0,0,0|1,0,1]=4 14083 B12R0.47 C#CCCOC(C)CCCCCC 34a_100011215631_100011215978 [0,2,0,0,0,0|1,0,1]=4 14084 B12R0.47 C#CCCOC(C)CCCCCC 7a_100000210265_100000688953 [0,2,0,0,0,0|1,0,1]=4 14085 B12R0.47 C#CCOCC(=O)CCCCCC 1458a_100011251226_100000210757 [0,2,0,0,0,0|0,0,1]=3 14086 B12R0.47 C#CCOCC(=O)CCCCCF 1458a_100011251226_100000729378 [0,2,0,0,0,0|1,0,1]=4 14087 B12R0.47 C#CCOCC(=O)CCCCCO 1458a_100011251226_100000746330 [0,2,0,0,0,0|1,0,1]=4 14088 B12R0.47 C#CCOCC(=O)CCCCOC 1458a_100011251226_100000755781 [0,2,0,0,0,0|1,0,1]=4 14089 B12R0.47 C#CCOCC(=O)CCCOCC 1458a_100011251226_100012232248 [0,2,0,0,0,0|1,0,1]=4 14090 B12R0.47 C#CCOCC(=O)CCOCCC 1458a_100011251226_100011215938 [0,2,0,0,0,0|1,0,1]=4 14091 B12R0.47 C#CCOCC(=O)COCCCC 1458a_100011251226_100011995733 [0,2,0,0,0,0|1,0,1]=4 14092 B12R0.47 C#CCOCC(=O)NCCCCC 11a_100000209983_100011251226 [0,2,0,0,0,0|1,0,1]=4 14093 B12R0.47 C#CCOCC(=O)NCCCCC 1626a_100000209983_100011251226 [0,2,0,0,0,0|1,0,1]=4 14094 B12R0.47 C#CCOCC(=O)NCCCCC 34a_100000210247_100000230301 [0,2,0,0,0,0|1,0,1]=4 14095 B12R0.47 C#CCOCC(=O)NCCCCC 527a_100000209983_100011251226 [0,2,0,0,0,0|1,0,1]=4 14096 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,2,0,0,0,0|1,0,1]=4 14097 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100000210265_100102629194 [0,2,0,0,0,0|1,0,1]=4 14098 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100016270725_100011215978 [0,2,0,0,0,0|1,0,1]=4 14099 B12R0.47 C/C=C/COC(C)CCCCCC 7a_100000210265_100102629194 [0,2,0,0,0,0|1,0,1]=4 14100 B12R0.47 C=C(C=NNCC)CCCCCC 4a_100000756455_100000091085 [0,2,0,0,0,0|2,0,0]=4 14101 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,2,0,0,0,0|1,0,0]=3 14102 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,2,0,0,0,0|1,0,0]=3 14103 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,2,0,0,0,0|2,0,0]=4 14104 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,2,0,0,0,0|2,0,0]=4 14105 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,2,0,0,0,0|2,0,0]=4 14106 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,2,0,0,0,0|2,0,0]=4 14107 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,2,0,0,0,0|2,0,0]=4 14108 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,2,0,0,0,0|2,0,0]=4 14109 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,2,0,0,0,0|2,0,0]=4 14110 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,2,0,0,0,0|2,0,0]=4 14111 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,2,0,0,0,0|2,0,0]=4 14112 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,2,0,0,0,0|2,0,0]=4 14113 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,2,0,0,0,0|2,0,0]=4 14114 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,2,0,0,0,0|2,0,0]=4 14115 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,2,0,0,0,0|2,0,0]=4 14116 B12R0.47 C=CCCCCC(=O)C=COCC 1458a_100016266692_100011215482 [0,2,0,0,0,0|0,0,2]=4 14117 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [0,2,0,0,0,0|0,0,2]=4 14118 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [0,2,0,0,0,0|0,0,2]=4 14119 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [0,2,0,0,0,0|0,0,2]=4 14120 B12R0.47 C=CCCCCC(=O)COCCO 1458a_100000708028_100011215482 [0,2,0,0,0,0|0,0,2]=4 14121 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,2,0,0,0,0|1,0,0]=3 14122 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,2,0,0,0,0|1,0,0]=3 14123 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,2,0,0,0,0|1,0,0]=3 14124 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,2,0,0,0,0|1,0,0]=3 14125 B12R0.47 C=CCCNC(=O)CCCCCO 240690a_100015191253_100102619762 [0,2,0,0,0,0|2,0,0]=4 14126 B12R0.47 C=CCCNC(=O)COCCCC 11a_100015191253_100000757543 [0,2,0,0,0,0|2,0,0]=4 14127 B12R0.47 C=CCCNC(=O)COCCCC 1626a_100015191253_100000757543 [0,2,0,0,0,0|2,0,0]=4 14128 B12R0.47 C=CCCNC(=O)COCCCC 240690a_100015191253_100000757543 [0,2,0,0,0,0|2,0,0]=4 14129 B12R0.47 C=CCCNC(=O)COCCCC 527a_100015191253_100000757543 [0,2,0,0,0,0|2,0,0]=4 14130 B12R0.47 C=CCCNC(=O)CSCCCC 11a_100015191253_100000191162 [0,2,0,0,0,0|2,0,0]=4 14131 B12R0.47 C=CCCNC(=O)CSCCCC 1626a_100015191253_100000191162 [0,2,0,0,0,0|2,0,0]=4 14132 B12R0.47 C=CCCNC(=O)CSCCCC 240690a_100015191253_100000191162 [0,2,0,0,0,0|2,0,0]=4 14133 B12R0.47 C=CCCNC(=O)CSCCCC 527a_100015191253_100000191162 [0,2,0,0,0,0|2,0,0]=4 14134 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100000209983_100015191253 [0,2,0,0,0,0|2,0,0]=4 14135 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100015191253_100000209983 [0,2,0,0,0,0|2,0,0]=4 14136 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100000209983_100015191253 [0,2,0,0,0,0|2,0,0]=4 14137 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100015191253_100000209983 [0,2,0,0,0,0|2,0,0]=4 14138 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100000209983_100015191253 [0,2,0,0,0,0|2,0,0]=4 14139 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100015191253_100000209983 [0,2,0,0,0,0|2,0,0]=4 14140 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,2,0,0,0,0|1,0,1]=4 14141 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,2,0,0,0,0|1,0,1]=4 14142 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,2,0,0,0,0|1,0,1]=4 14143 B12R0.47 C=CCNNC(=O)CCCCCC 22a_100020588587_100102632555 [0,2,0,0,0,0|1,0,1]=4 14144 B12R0.47 C=CCOCC(=O)NCCCCC 34a_200000210373_100000230301 [0,2,0,0,0,0|1,0,1]=4 14145 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [0,2,0,0,0,0|0,1,1]=4 14146 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [0,2,0,0,0,0|0,0,2]=4 14147 B12R0.47 CC#CCNC(=O)CCCCCC 11a_100000685387_100102632555 [0,2,0,0,0,0|1,0,0]=3 14148 B12R0.47 CC#CCNC(=O)CCCCCC 1626a_100000685387_100102632555 [0,2,0,0,0,0|1,0,0]=3 14149 B12R0.47 CC#CCNC(=O)CCCCCC 527a_100000685387_100102632555 [0,2,0,0,0,0|1,0,0]=3 14150 B12R0.47 CC#CCNC(=O)COCCCC 11a_100000685387_100000757543 [0,2,0,0,0,0|2,0,0]=4 14151 B12R0.47 CC#CCNC(=O)COCCCC 1626a_100000685387_100000757543 [0,2,0,0,0,0|2,0,0]=4 14152 B12R0.47 CC#CCNC(=O)COCCCC 527a_100000685387_100000757543 [0,2,0,0,0,0|2,0,0]=4 14153 B12R0.47 CC#CCNC(=O)CSCCCC 11a_100000685387_100000191162 [0,2,0,0,0,0|2,0,0]=4 14154 B12R0.47 CC#CCNC(=O)CSCCCC 1626a_100000685387_100000191162 [0,2,0,0,0,0|2,0,0]=4 14155 B12R0.47 CC#CCNC(=O)CSCCCC 527a_100000685387_100000191162 [0,2,0,0,0,0|2,0,0]=4 14156 B12R0.47 CC#CCNC(=O)NCCCCC 2708a_100000209983_100000685387 [0,2,0,0,0,0|2,0,0]=4 14157 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000209983_100000685387 [0,2,0,0,0,0|2,0,0]=4 14158 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000685387_100000209983 [0,2,0,0,0,0|2,0,0]=4 14159 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000209983_100000685387 [0,2,0,0,0,0|2,0,0]=4 14160 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000685387_100000209983 [0,2,0,0,0,0|2,0,0]=4 14161 B12R0.47 CC#CCOC(C)CCCCCC 34a_100000210265_100000748600 [0,2,0,0,0,0|1,0,1]=4 14162 B12R0.47 CC#CCOC(C)CCCCCC 34a_100000761923_100011215978 [0,2,0,0,0,0|1,0,1]=4 14163 B12R0.47 CC#CCOC(C)CCCCCC 7a_100000210265_100000748600 [0,2,0,0,0,0|1,0,1]=4 14164 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,2,0,0,0,0|1,0,0]=3 14165 B12R0.47 CC/C=C/CC(=O)CCCCCF 1458a_100016274230_100000729378 [0,2,0,0,0,0|2,0,0]=4 14166 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [0,2,0,0,0,0|2,0,0]=4 14167 B12R0.47 CC/C=C/CC(=O)CCCCOC 1458a_100016274230_100000755781 [0,2,0,0,0,0|2,0,0]=4 14168 B12R0.47 CC/C=C/CC(=O)CCCOCC 1458a_100016274230_100012232248 [0,2,0,0,0,0|2,0,0]=4 14169 B12R0.47 CC/C=C/CC(=O)CCOCCC 1458a_100016274230_100011215938 [0,2,0,0,0,0|2,0,0]=4 14170 B12R0.47 CC/C=C/CC(=O)COCCCC 1458a_100016274230_100011995733 [0,2,0,0,0,0|2,0,0]=4 14171 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [0,2,0,0,0,0|2,0,0]=4 14172 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [0,2,0,0,0,0|2,0,0]=4 14173 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [0,2,0,0,0,0|2,0,0]=4 14174 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [0,2,0,0,0,0|2,0,0]=4 14175 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,2,0,0,0,0|1,0,0]=3 14176 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [0,2,0,0,0,0|2,0,0]=4 14177 B12R0.47 CC/C=C\CC(=O)COCCCC 1458a_100000757543_100103147603 [0,2,0,0,0,0|2,0,0]=4 14178 B12R0.47 CC/C=C\CC(=O)CSCCCC 1458a_100000191162_100103147603 [0,2,0,0,0,0|2,0,0]=4 14179 B12R0.47 CC/C=C\CCC(=O)C=COCC 1458a_100016266692_100015370543 [0,2,0,0,0,0|0,0,2]=4 14180 B12R0.47 CC/C=C\CCC(=O)CCOCC 1458a_100000749530_100015370543 [0,2,0,0,0,0|0,0,2]=4 14181 B12R0.47 CC/C=C\CCC(=O)COCCC 1458a_100000745993_100015370543 [0,2,0,0,0,0|0,0,2]=4 14182 B12R0.47 CC/C=C\CCC(=O)COCCO 1458a_100000708028_100015370543 [0,2,0,0,0,0|0,0,2]=4 14183 B12R0.47 CC=CCOC(C)CCCCCC 34a_100000210265_100000070051 [0,2,0,0,0,0|1,0,1]=4 14184 B12R0.47 CC=CCOC(C)CCCCCC 7a_100000210265_100000070051 [0,2,0,0,0,0|1,0,1]=4 14185 B12R0.47 CCC#CCC(=O)CCCCCC 1458a_100102632555_100009813939 [0,2,0,0,0,0|1,0,0]=3 14186 B12R0.47 CCC#CCC(=O)CCCCCO 1458a_100102619762_100009813939 [0,2,0,0,0,0|2,0,0]=4 14187 B12R0.47 CCC#CCC(=O)COCCCC 1458a_100000757543_100009813939 [0,2,0,0,0,0|2,0,0]=4 14188 B12R0.47 CCC#CCC(=O)CSCCCC 1458a_100000191162_100009813939 [0,2,0,0,0,0|2,0,0]=4 14189 B12R0.47 CCC/C=C/CC(=O)CCOCC 1458a_200016266809_100011215890 [0,2,0,0,0,0|0,0,2]=4 14190 B12R0.47 CCC=NNC(=O)CCCCCC 4a_100011221127_100000210100 [0,2,0,0,0,0|1,0,0]=3 14191 B12R0.47 CCCC#CC(=O)CCCCCC 1458a_200011218047_100000210757 [0,2,0,0,0,0|1,0,0]=3 14192 B12R0.47 CCCC#CC(=O)CCCCCF 1458a_200011218047_100000729378 [0,2,0,0,0,0|2,0,0]=4 14193 B12R0.47 CCCC#CC(=O)CCCCCO 1458a_200011218047_100000746330 [0,2,0,0,0,0|2,0,0]=4 14194 B12R0.47 CCCC#CC(=O)CCCCOC 1458a_200011218047_100000755781 [0,2,0,0,0,0|2,0,0]=4 14195 B12R0.47 CCCC#CC(=O)CCCOCC 1458a_200011218047_100012232248 [0,2,0,0,0,0|2,0,0]=4 14196 B12R0.47 CCCC#CC(=O)CCOCCC 1458a_200011218047_100011215938 [0,2,0,0,0,0|2,0,0]=4 14197 B12R0.47 CCCC#CC(=O)COCCCC 1458a_200011218047_100011995733 [0,2,0,0,0,0|2,0,0]=4 14198 B12R0.47 CCCC#CC(=O)NCCCCC 240690a_100000209983_200011218047 [0,2,0,0,0,0|2,0,0]=4 14199 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [0,2,0,0,0,0|1,0,0]=3 14200 B12R0.47 CCCC=CC(=O)CCCCCF 1458a_100000212230_100000729378 [0,2,0,0,0,0|2,0,0]=4 14201 B12R0.47 CCCC=CC(=O)CCCCCO 1458a_100000212230_100000746330 [0,2,0,0,0,0|2,0,0]=4 14202 B12R0.47 CCCC=CC(=O)CCCCOC 1458a_100000212230_100000755781 [0,2,0,0,0,0|2,0,0]=4 14203 B12R0.47 CCCC=CC(=O)CCCOCC 1458a_100000212230_100012232248 [0,2,0,0,0,0|2,0,0]=4 14204 B12R0.47 CCCC=CC(=O)CCOCCC 1458a_100000212230_100011215938 [0,2,0,0,0,0|2,0,0]=4 14205 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [0,2,0,0,0,0|2,0,0]=4 14206 B12R0.47 CCCC=CC(=O)NCCCCC 11a_100000209983_100000212230 [0,2,0,0,0,0|2,0,0]=4 14207 B12R0.47 CCCC=CC(=O)NCCCCC 1626a_100000209983_100000212230 [0,2,0,0,0,0|2,0,0]=4 14208 B12R0.47 CCCC=CC(=O)NCCCCC 240690a_100000209983_100000212230 [0,2,0,0,0,0|2,0,0]=4 14209 B12R0.47 CCCCC=CC(=O)CCOCC 1458a_100016266645_100011215890 [0,2,0,0,0,0|0,0,2]=4 14210 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,2,0,0,0,0|2,0,0]=4 14211 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,2,0,0,0,0|2,0,0]=4 14212 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,2,0,0,0,0|2,0,0]=4 14213 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,2,0,0,0,0|2,0,0]=4 14214 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [0,2,0,0,0,0|2,0,0]=4 14215 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,2,0,0,0,0|2,0,0]=4 14216 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [0,2,0,0,0,0|2,0,0]=4 14217 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [0,2,0,0,0,0|2,0,0]=4 14218 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,2,0,0,0,0|2,0,0]=4 14219 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,2,0,0,0,0|2,0,0]=4 14220 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,2,0,0,0,0|2,0,0]=4 14221 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,2,0,0,0,0|2,0,0]=4 14222 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [0,2,0,0,0,0|2,0,0]=4 14223 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [0,2,0,0,0,0|2,0,0]=4 14224 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [0,2,0,0,0,0|2,0,0]=4 14225 B12R0.47 CCCCCCC(=NNCCC)C 4a_100000740057_100000210826 [0,2,0,0,0,0|2,0,0]=4 14226 B12R0.47 CCCCCCC(=NNCCO)C 4a_100000210001_100000210826 [0,2,0,0,0,0|2,0,0]=4 14227 B12R0.47 CCCCCCC(=O)C=CCOC 1458a_100016285016_100000210757 [0,2,0,0,0,0|1,0,0]=3 14228 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [0,2,0,0,0,0|0,0,0]=2 14229 B12R0.47 CCCCCCC(=O)CC#CCO 1458a_100102632555_200000047223 [0,2,0,0,0,0|1,0,1]=4 14230 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,2,0,0,0,0|1,0,0]=3 14231 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,2,0,0,0,0|1,0,0]=3 14232 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,2,0,0,0,0|1,0,0]=3 14233 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,2,0,0,0,0|1,0,0]=3 14234 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,2,0,0,0,0|1,0,0]=3 14235 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,2,0,0,0,0|1,0,0]=3 14236 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,2,0,0,0,0|1,0,0]=3 14237 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,2,0,0,0,0|1,0,0]=3 14238 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,2,0,0,0,0|1,0,0]=3 14239 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,2,0,0,0,0|1,0,0]=3 14240 B12R0.47 CCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210757 [0,2,0,0,0,0|2,0,0]=4 14241 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,2,0,0,0,0|0,0,0]=2 14242 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,2,0,0,0,0|0,0,0]=2 14243 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,2,0,0,0,0|0,1,0]=3 14244 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,2,0,0,0,0|0,1,0]=3 14245 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,2,0,0,0,0|0,0,0]=2 14246 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,2,0,0,0,0|0,0,0]=2 14247 B12R0.47 CCCCCCC(=O)CSCC#N 1458a_100000150266_100000210757 [0,2,0,0,0,0|0,1,1]=4 14248 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,2,0,0,0,0|0,1,0]=3 14249 B12R0.47 CCCCCCC(=O)NCCC#N 11a_100000720768_100102632555 [0,2,0,0,0,0|1,0,0]=3 14250 B12R0.47 CCCCCCC(=O)NCCC#N 1626a_100000720768_100102632555 [0,2,0,0,0,0|1,0,0]=3 14251 B12R0.47 CCCCCCC(=O)NCCC#N 240690a_100000720768_100102632555 [0,2,0,0,0,0|1,0,0]=3 14252 B12R0.47 CCCCCCC(=O)NCCC#N 527a_100000720768_100102632555 [0,2,0,0,0,0|1,0,0]=3 14253 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 14254 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 14255 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 14256 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 14257 B12R0.47 CCCCCCC(=O)NCCCF 11a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 14258 B12R0.47 CCCCCCC(=O)NCCCF 1626a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 14259 B12R0.47 CCCCCCC(=O)NCCCF 240690a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 14260 B12R0.47 CCCCCCC(=O)NCCCF 527a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 14261 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [0,2,0,0,0,0|1,0,0]=3 14262 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [0,2,0,0,0,0|1,0,0]=3 14263 B12R0.47 CCCCCCC(=O)NCCOC 1626a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 14264 B12R0.47 CCCCCCC(=O)NCCOC 240690a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 14265 B12R0.47 CCCCCCC(=O)NCCOC 527a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 14266 B12R0.47 CCCCCCC(=O)NCCSC 11a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 14267 B12R0.47 CCCCCCC(=O)NCCSC 1626a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 14268 B12R0.47 CCCCCCC(=O)NCCSC 240690a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 14269 B12R0.47 CCCCCCC(=O)NCCSC 527a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 14270 B12R0.47 CCCCCCC(=O)NNCCC 22a_100000740057_100102632555 [0,2,0,0,0,0|1,0,0]=3 14271 B12R0.47 CCCCCCC(=O)NNCCO 22a_100000210001_100102632555 [0,2,0,0,0,0|1,0,0]=3 14272 B12R0.47 CCCCCCC(C)CCOCC 34a_200011024964_100000210202 [0,2,0,0,0,0|1,0,1]=4 14273 B12R0.47 CCCCCCC(C)CCOCC 7a_200011024964_100000210202 [0,2,0,0,0,0|1,0,1]=4 14274 B12R0.47 CCCCCCC(C)OCCC#N 7a_100000210265_100000184422 [0,2,0,0,0,0|1,0,1]=4 14275 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [0,2,0,0,0,0|1,0,1]=4 14276 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,2,0,0,0,0|1,0,1]=4 14277 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,2,0,0,0,0|1,0,1]=4 14278 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,2,0,0,0,0|1,0,1]=4 14279 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,2,0,0,0,0|1,0,1]=4 14280 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [0,2,0,0,0,0|1,0,1]=4 14281 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [0,2,0,0,0,0|1,0,1]=4 14282 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [0,2,0,0,0,0|1,0,1]=4 14283 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [0,2,0,0,0,0|1,0,1]=4 14284 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [0,2,0,0,0,0|1,0,1]=4 14285 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,2,0,0,0,0|1,0,1]=4 14286 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,2,0,0,0,0|1,0,1]=4 14287 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,2,0,0,0,0|1,0,1]=4 14288 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,2,0,0,0,0|1,0,1]=4 14289 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,2,0,0,0,0|1,0,1]=4 14290 B12R0.47 CCCCCCC(C)OCCON 34a_100000700252_100011215978 [0,2,0,0,0,0|1,0,1]=4 14291 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,2,0,0,0,0|1,0,1]=4 14292 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,2,0,0,0,0|1,0,1]=4 14293 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,2,0,0,0,0|1,0,1]=4 14294 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,2,0,0,0,0|1,0,1]=4 14295 B12R0.47 CCCCCCC(C)SCOCC 62a_100000739092_100011215978 [0,2,0,0,0,0|1,0,1]=4 14296 B12R0.47 CCCCCCC(C)SCOCC 62a_100011215978_100000739092 [0,2,0,0,0,0|1,0,1]=4 14297 B12R0.47 CCCCCCN(C)CCOCC 2230a_106256046315_100011215890 [0,2,0,0,0,0|2,0,0]=4 14298 B12R0.47 CCCCCCN(C)CCOCC 269982a_106256046315_100011215890 [0,2,0,0,0,0|2,0,0]=4 14299 B12R0.47 CCCCCNC(=O)C=CCOC 11a_100000209983_100016285016 [0,2,0,0,0,0|2,0,0]=4 14300 B12R0.47 CCCCCNC(=O)C=CCOC 1626a_100000209983_100016285016 [0,2,0,0,0,0|2,0,0]=4 14301 B12R0.47 CCCCCNC(=O)C=CCOC 240690a_100000209983_100016285016 [0,2,0,0,0,0|2,0,0]=4 14302 B12R0.47 CCCCCNC(=O)C=COCC 11a_100000209983_100016266692 [0,2,0,0,0,0|1,0,0]=3 14303 B12R0.47 CCCCCNC(=O)C=COCC 1626a_100000209983_100016266692 [0,2,0,0,0,0|1,0,0]=3 14304 B12R0.47 CCCCCNC(=O)C=COCC 240690a_100000209983_100016266692 [0,2,0,0,0,0|1,0,0]=3 14305 B12R0.47 CCCCCNC(=O)CCCC#N 11a_100000209983_100000075515 [0,2,0,0,0,0|2,0,0]=4 14306 B12R0.47 CCCCCNC(=O)CCCC#N 1626a_100000209983_100000075515 [0,2,0,0,0,0|2,0,0]=4 14307 B12R0.47 CCCCCNC(=O)CCCC#N 240690a_100000209983_100000075515 [0,2,0,0,0,0|2,0,0]=4 14308 B12R0.47 CCCCCNC(=O)CCCC#N 527a_100000209983_100000075515 [0,2,0,0,0,0|2,0,0]=4 14309 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,2,0,0,0,0|2,0,0]=4 14310 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,2,0,0,0,0|2,0,0]=4 14311 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,2,0,0,0,0|2,0,0]=4 14312 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,2,0,0,0,0|2,0,0]=4 14313 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,2,0,0,0,0|2,0,0]=4 14314 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [0,2,0,0,0,0|2,0,0]=4 14315 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [0,2,0,0,0,0|2,0,0]=4 14316 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [0,2,0,0,0,0|2,0,0]=4 14317 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [0,2,0,0,0,0|2,0,0]=4 14318 B12R0.47 CCCCCNC(=O)CCCSC 11a_100000209983_100000173376 [0,2,0,0,0,0|2,0,0]=4 14319 B12R0.47 CCCCCNC(=O)CCCSC 1626a_100000209983_100000173376 [0,2,0,0,0,0|2,0,0]=4 14320 B12R0.47 CCCCCNC(=O)CCCSC 240690a_100000209983_100000173376 [0,2,0,0,0,0|2,0,0]=4 14321 B12R0.47 CCCCCNC(=O)CCCSC 527a_100000209983_100000173376 [0,2,0,0,0,0|2,0,0]=4 14322 B12R0.47 CCCCCNC(=O)CCOCC 11a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 14323 B12R0.47 CCCCCNC(=O)CCOCC 1626a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 14324 B12R0.47 CCCCCNC(=O)CCOCC 240690a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 14325 B12R0.47 CCCCCNC(=O)CCOCC 527a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 14326 B12R0.47 CCCCCNC(=O)CCSCC 11a_100000209983_100000230768 [0,2,0,0,0,0|1,1,0]=4 14327 B12R0.47 CCCCCNC(=O)CCSCC 1626a_100000209983_100000230768 [0,2,0,0,0,0|1,1,0]=4 14328 B12R0.47 CCCCCNC(=O)CCSCC 240690a_100000209983_100000230768 [0,2,0,0,0,0|1,1,0]=4 14329 B12R0.47 CCCCCNC(=O)CCSCC 527a_100000209983_100000230768 [0,2,0,0,0,0|1,1,0]=4 14330 B12R0.47 CCCCCNC(=O)CNCCF 34a_100000724931_100000230301 [0,2,0,0,0,0|2,0,0]=4 14331 B12R0.47 CCCCCNC(=O)CNCCO 2230a_100016997473_100000230301 [0,2,0,0,0,0|2,0,0]=4 14332 B12R0.47 CCCCCNC(=O)CNCCO 34a_100016990907_100000230301 [0,2,0,0,0,0|2,0,0]=4 14333 B12R0.47 CCCCCNC(=O)COCCBr 34a_100000211926_100000230301 [0,2,0,0,0,0|1,0,0]=3 14334 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,2,0,0,0,0|1,0,0]=3 14335 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,2,0,0,0,0|1,0,0]=3 14336 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,2,0,0,0,0|1,0,0]=3 14337 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,2,0,0,0,0|1,0,0]=3 14338 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,2,0,0,0,0|1,0,0]=3 14339 B12R0.47 CCCCCNC(=O)COCCN 34a_100000210304_100000230301 [0,2,0,0,0,0|1,0,0]=3 14340 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,2,0,0,0,0|1,0,0]=3 14341 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,2,0,0,0,0|1,0,0]=3 14342 B12R0.47 CCCCCNC(=O)CSCCC 11a_100000209983_100000217233 [0,2,0,0,0,0|1,1,0]=4 14343 B12R0.47 CCCCCNC(=O)CSCCC 1626a_100000209983_100000217233 [0,2,0,0,0,0|1,1,0]=4 14344 B12R0.47 CCCCCNC(=O)CSCCC 240690a_100000209983_100000217233 [0,2,0,0,0,0|1,1,0]=4 14345 B12R0.47 CCCCCNC(=O)CSCCC 527a_100000209983_100000217233 [0,2,0,0,0,0|1,1,0]=4 14346 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000210303_100000230301 [0,2,0,0,0,0|1,1,0]=4 14347 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000230301_100000210303 [0,2,0,0,0,0|1,1,0]=4 14348 B12R0.47 CCCCCNC(=O)CSCCF 62a_100000230301_100011217306 [0,2,0,0,0,0|1,1,0]=4 14349 B12R0.47 CCCCCNC(=O)CSCCF 62a_100011217306_100000230301 [0,2,0,0,0,0|1,1,0]=4 14350 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000211926_100000230301 [0,2,0,0,0,0|1,1,0]=4 14351 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000230301_100000211926 [0,2,0,0,0,0|1,1,0]=4 14352 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000230301_100000766300 [0,2,0,0,0,0|1,1,0]=4 14353 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000766300_100000230301 [0,2,0,0,0,0|1,1,0]=4 14354 B12R0.47 CCCCCNC(=O)CSCSC 62a_100000230301_100011218213 [0,2,0,0,0,0|1,1,0]=4 14355 B12R0.47 CCCCCNC(=O)CSCSC 62a_100011218213_100000230301 [0,2,0,0,0,0|1,1,0]=4 14356 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000209983_100000720768 [0,2,0,0,0,0|2,0,0]=4 14357 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000720768_100000209983 [0,2,0,0,0,0|2,0,0]=4 14358 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000209983_100000720768 [0,2,0,0,0,0|2,0,0]=4 14359 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000720768_100000209983 [0,2,0,0,0,0|2,0,0]=4 14360 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000209983_100000720768 [0,2,0,0,0,0|2,0,0]=4 14361 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000720768_100000209983 [0,2,0,0,0,0|2,0,0]=4 14362 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000102301_100000209983 [0,2,0,0,0,0|2,0,0]=4 14363 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000209983_100000102301 [0,2,0,0,0,0|2,0,0]=4 14364 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000102301_100000209983 [0,2,0,0,0,0|2,0,0]=4 14365 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000209983_100000102301 [0,2,0,0,0,0|2,0,0]=4 14366 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000102301_100000209983 [0,2,0,0,0,0|2,0,0]=4 14367 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000209983_100000102301 [0,2,0,0,0,0|2,0,0]=4 14368 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100000209983_100015189416 [0,2,0,0,0,0|2,0,0]=4 14369 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100015189416_100000209983 [0,2,0,0,0,0|2,0,0]=4 14370 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100000209983_100015189416 [0,2,0,0,0,0|2,0,0]=4 14371 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100015189416_100000209983 [0,2,0,0,0,0|2,0,0]=4 14372 B12R0.47 CCCCCNC(=O)NCCCF 512a_100000209983_100015189416 [0,2,0,0,0,0|2,0,0]=4 14373 B12R0.47 CCCCCNC(=O)NCCCF 512a_100015189416_100000209983 [0,2,0,0,0,0|2,0,0]=4 14374 B12R0.47 CCCCCNC(=O)NCCCO 2708a_100000209983_100000182051 [0,2,0,0,0,0|2,0,0]=4 14375 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000182051_100000209983 [0,2,0,0,0,0|2,0,0]=4 14376 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000209983_100000182051 [0,2,0,0,0,0|2,0,0]=4 14377 B12R0.47 CCCCCNC(=O)NCCCO 512a_100000209983_100000182051 [0,2,0,0,0,0|2,0,0]=4 14378 B12R0.47 CCCCCNC(=O)NCCOC 2708a_100000209983_100000209980 [0,2,0,0,0,0|2,0,0]=4 14379 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209980_100000209983 [0,2,0,0,0,0|2,0,0]=4 14380 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209983_100000209980 [0,2,0,0,0,0|2,0,0]=4 14381 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100000209983_100020590264 [0,2,0,0,0,0|2,0,0]=4 14382 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100020590264_100000209983 [0,2,0,0,0,0|2,0,0]=4 14383 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100000209983_100020590264 [0,2,0,0,0,0|2,0,0]=4 14384 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100020590264_100000209983 [0,2,0,0,0,0|2,0,0]=4 14385 B12R0.47 CCCCCNC(=O)NCCSC 512a_100000209983_100020590264 [0,2,0,0,0,0|2,0,0]=4 14386 B12R0.47 CCCCCNC(=O)NCCSC 512a_100020590264_100000209983 [0,2,0,0,0,0|2,0,0]=4 14387 B12R0.47 CCCCCNC(=O)NNCCC 273464a_100000209983_100000740057 [0,2,0,0,0,0|2,0,0]=4 14388 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000209983_100000740057 [0,2,0,0,0,0|2,0,0]=4 14389 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000740057_100000209983 [0,2,0,0,0,0|2,0,0]=4 14390 B12R0.47 CCCCCNC(=O)NNCCO 273464a_100000209983_100000210001 [0,2,0,0,0,0|2,0,0]=4 14391 B12R0.47 CCCCCNC(=O)NNCCO 512a_100000209983_100000210001 [0,2,0,0,0,0|2,0,0]=4 14392 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [0,2,0,0,0,0|2,0,0]=4 14393 B12R0.47 CCCCNC(=O)COCCCC 11a_100000102301_100000757543 [0,2,0,0,0,0|2,0,0]=4 14394 B12R0.47 CCCCNC(=O)COCCCC 1626a_100000102301_100000757543 [0,2,0,0,0,0|2,0,0]=4 14395 B12R0.47 CCCCNC(=O)COCCCC 240690a_100000102301_100000757543 [0,2,0,0,0,0|2,0,0]=4 14396 B12R0.47 CCCCNC(=O)COCCCC 34a_100000210227_100000182744 [0,2,0,0,0,0|2,0,0]=4 14397 B12R0.47 CCCCNC(=O)COCCCC 527a_100000102301_100000757543 [0,2,0,0,0,0|2,0,0]=4 14398 B12R0.47 CCCCNC(=O)COCCCC 7a_100000210227_100000182744 [0,2,0,0,0,0|2,0,0]=4 14399 B12R0.47 CCCCNC(=O)CSCCCC 11a_100000102301_100000191162 [0,2,0,0,0,0|2,0,0]=4 14400 B12R0.47 CCCCNC(=O)CSCCCC 1626a_100000102301_100000191162 [0,2,0,0,0,0|2,0,0]=4 14401 B12R0.47 CCCCNC(=O)CSCCCC 240690a_100000102301_100000191162 [0,2,0,0,0,0|2,0,0]=4 14402 B12R0.47 CCCCNC(=O)CSCCCC 527a_100000102301_100000191162 [0,2,0,0,0,0|2,0,0]=4 14403 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000182744_100000210210 [0,2,0,0,0,0|2,0,0]=4 14404 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000210211_100000182744 [0,2,0,0,0,0|2,0,0]=4 14405 B12R0.47 CCCCNCC(=O)NCCCC 2230a_100000102301_100000182744 [0,2,0,0,0,0|2,0,0]=4 14406 B12R0.47 CCCCNCC(=O)NCCCC 7a_106832991798_100000182744 [0,2,0,0,0,0|2,0,0]=4 14407 B12R0.47 CCCCNCC(=O)NCCOC 2230a_100000102301_100000183275 [0,2,0,0,0,0|2,0,0]=4 14408 B12R0.47 CCCCNCC(=O)NCCOC 2230a_100000754632_100000210211 [0,2,0,0,0,0|2,0,0]=4 14409 B12R0.47 CCCCNCC(=O)NCCOC 7a_106832991798_100000183275 [0,2,0,0,0,0|2,0,0]=4 14410 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,2,0,0,0,0|1,0,0]=3 14411 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,2,0,0,0,0|1,0,0]=3 14412 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,2,0,0,0,0|1,0,0]=3 14413 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,2,0,0,0,0|1,0,0]=3 14414 B12R0.47 CCCCNNC(=O)C=COCC 22a_100025702795_100016266692 [0,2,0,0,0,0|2,0,0]=4 14415 B12R0.47 CCCCNNC(=O)CCOCC 22a_100025702795_100000749530 [0,2,0,0,0,0|2,0,0]=4 14416 B12R0.47 CCCCNNC(=O)COCCC 22a_100025702795_100000745993 [0,2,0,0,0,0|2,0,0]=4 14417 B12R0.47 CCCCOC(=O)CNCCCF 2230a_100015189416_100000211628 [0,2,0,0,0,0|2,0,0]=4 14418 B12R0.47 CCCCOC(=O)CNCCCF 34a_100015189416_100000211628 [0,2,0,0,0,0|2,0,0]=4 14419 B12R0.47 CCCCOC(=O)CNCCOC 2230a_100000209980_100000211628 [0,2,0,0,0,0|2,0,0]=4 14420 B12R0.47 CCCCOC(=O)CNCCSC 2230a_100020590264_100000211628 [0,2,0,0,0,0|2,0,0]=4 14421 B12R0.47 CCCCOC(=O)COCCCBr 34a_100011217188_100000211628 [0,2,0,0,0,0|2,0,0]=4 14422 B12R0.47 CCCCOC(=O)COCCCCl 34a_100000230001_100000211628 [0,2,0,0,0,0|2,0,0]=4 14423 B12R0.47 CCCCOC(=O)COCCCF 34a_100000759539_100000211628 [0,2,0,0,0,0|2,0,0]=4 14424 B12R0.47 CCCCOC(=O)COCCCN 34a_100000182051_100000211628 [0,2,0,0,0,0|2,0,0]=4 14425 B12R0.47 CCCCOC(=O)COCCOC 34a_100000210237_100000211628 [0,2,0,0,0,0|2,0,0]=4 14426 B12R0.47 CCCCOC(=O)COCCSC 34a_100000230434_100000211628 [0,2,0,0,0,0|2,0,0]=4 14427 B12R0.47 CCCCOC(=O)COCCSC 7a_100000230434_100000211628 [0,2,0,0,0,0|2,0,0]=4 14428 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [0,2,0,0,0,0|1,0,0]=3 14429 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [0,2,0,0,0,0|1,0,0]=3 14430 B12R0.47 CCCCOC(=O)CSCCCF 62a_100000211628_100011934791 [0,2,0,0,0,0|2,0,0]=4 14431 B12R0.47 CCCCOC(=O)CSCCCF 62a_100011934791_100000211628 [0,2,0,0,0,0|2,0,0]=4 14432 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [0,2,0,0,0,0|2,0,0]=4 14433 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [0,2,0,0,0,0|2,0,0]=4 14434 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000211628_100000233755 [0,2,0,0,0,0|2,0,0]=4 14435 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000233755_100000211628 [0,2,0,0,0,0|2,0,0]=4 14436 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000211628_100000751147 [0,2,0,0,0,0|2,0,0]=4 14437 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000212216_100000211628 [0,2,0,0,0,0|2,0,0]=4 14438 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000211628_100000739092 [0,2,0,0,0,0|2,0,0]=4 14439 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000739092_100000211628 [0,2,0,0,0,0|2,0,0]=4 14440 B12R0.47 CCCCOCC(=O)C=CCOC 1458a_100016285016_100011995733 [0,2,0,0,0,0|2,0,0]=4 14441 B12R0.47 CCCCOCC(=O)C=COCC 1458a_100016266692_100011995733 [0,2,0,0,0,0|1,0,0]=3 14442 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000075515_100011995733 [0,2,0,0,0,0|2,0,0]=4 14443 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000757543_100000211468 [0,2,0,0,0,0|2,0,0]=4 14444 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [0,2,0,0,0,0|2,0,0]=4 14445 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [0,2,0,0,0,0|2,0,0]=4 14446 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [0,2,0,0,0,0|2,0,0]=4 14447 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [0,2,0,0,0,0|2,0,0]=4 14448 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [0,2,0,0,0,0|2,0,0]=4 14449 B12R0.47 CCCCOCC(=O)CCCSC 1458a_100000173376_100011995733 [0,2,0,0,0,0|2,0,0]=4 14450 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000749530_100011995733 [0,2,0,0,0,0|1,0,0]=3 14451 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000757543_100011215890 [0,2,0,0,0,0|1,0,0]=3 14452 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000230768_100011995733 [0,2,0,0,0,0|1,1,0]=4 14453 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000757543_100000757381 [0,2,0,0,0,0|1,1,0]=4 14454 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [0,2,0,0,0,0|1,0,0]=3 14455 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,2,0,0,0,0|1,0,0]=3 14456 B12R0.47 CCCCOCC(=O)CSCCC 1458a_100000217233_100011995733 [0,2,0,0,0,0|1,1,0]=4 14457 B12R0.47 CCCCOCC(=O)NCCC#N 11a_100000720768_100000757543 [0,2,0,0,0,0|2,0,0]=4 14458 B12R0.47 CCCCOCC(=O)NCCC#N 1626a_100000720768_100000757543 [0,2,0,0,0,0|2,0,0]=4 14459 B12R0.47 CCCCOCC(=O)NCCC#N 240690a_100000720768_100000757543 [0,2,0,0,0,0|2,0,0]=4 14460 B12R0.47 CCCCOCC(=O)NCCC#N 527a_100000720768_100000757543 [0,2,0,0,0,0|2,0,0]=4 14461 B12R0.47 CCCCOCC(=O)NCCCF 11a_100015189416_100000757543 [0,2,0,0,0,0|2,0,0]=4 14462 B12R0.47 CCCCOCC(=O)NCCCF 1626a_100015189416_100000757543 [0,2,0,0,0,0|2,0,0]=4 14463 B12R0.47 CCCCOCC(=O)NCCCF 240690a_100015189416_100000757543 [0,2,0,0,0,0|2,0,0]=4 14464 B12R0.47 CCCCOCC(=O)NCCCF 527a_100015189416_100000757543 [0,2,0,0,0,0|2,0,0]=4 14465 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [0,2,0,0,0,0|2,0,0]=4 14466 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [0,2,0,0,0,0|2,0,0]=4 14467 B12R0.47 CCCCOCC(=O)NCCOC 1626a_100000209980_100000757543 [0,2,0,0,0,0|2,0,0]=4 14468 B12R0.47 CCCCOCC(=O)NCCOC 240690a_100000209980_100000757543 [0,2,0,0,0,0|2,0,0]=4 14469 B12R0.47 CCCCOCC(=O)NCCOC 34a_100000210227_100000183275 [0,2,0,0,0,0|2,0,0]=4 14470 B12R0.47 CCCCOCC(=O)NCCOC 527a_100000209980_100000757543 [0,2,0,0,0,0|2,0,0]=4 14471 B12R0.47 CCCCOCC(=O)NCCOC 7a_100000210227_100000183275 [0,2,0,0,0,0|2,0,0]=4 14472 B12R0.47 CCCCOCC(=O)NCCSC 11a_100020590264_100000757543 [0,2,0,0,0,0|2,0,0]=4 14473 B12R0.47 CCCCOCC(=O)NCCSC 1626a_100020590264_100000757543 [0,2,0,0,0,0|2,0,0]=4 14474 B12R0.47 CCCCOCC(=O)NCCSC 240690a_100020590264_100000757543 [0,2,0,0,0,0|2,0,0]=4 14475 B12R0.47 CCCCOCC(=O)NCCSC 527a_100020590264_100000757543 [0,2,0,0,0,0|2,0,0]=4 14476 B12R0.47 CCCCOCC(=O)NNCCC 22a_100000740057_100000757543 [0,2,0,0,0,0|2,0,0]=4 14477 B12R0.47 CCCCOCC(=O)NNCCO 22a_100000210001_100000757543 [0,2,0,0,0,0|2,0,0]=4 14478 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,2,0,0,0,0|1,0,0]=3 14479 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,2,0,0,0,0|1,0,0]=3 14480 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [0,2,0,0,0,0|1,0,0]=3 14481 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [0,2,0,0,0,0|1,0,0]=3 14482 B12R0.47 CCCCSCC(=O)CCCC#N 1458a_100000191162_100000211468 [0,2,0,0,0,0|2,0,0]=4 14483 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [0,2,0,0,0,0|2,0,0]=4 14484 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [0,2,0,0,0,0|2,0,0]=4 14485 B12R0.47 CCCCSCC(=O)CCCOC 1458a_100000191162_100000740836 [0,2,0,0,0,0|2,0,0]=4 14486 B12R0.47 CCCCSCC(=O)CCOCC 1458a_100000191162_100011215890 [0,2,0,0,0,0|1,0,0]=3 14487 B12R0.47 CCCCSCC(=O)CCSCC 1458a_100000191162_100000757381 [0,2,0,0,0,0|1,1,0]=4 14488 B12R0.47 CCCCSCC(=O)NCCC#N 11a_100000720768_100000191162 [0,2,0,0,0,0|2,0,0]=4 14489 B12R0.47 CCCCSCC(=O)NCCC#N 1626a_100000720768_100000191162 [0,2,0,0,0,0|2,0,0]=4 14490 B12R0.47 CCCCSCC(=O)NCCC#N 240690a_100000720768_100000191162 [0,2,0,0,0,0|2,0,0]=4 14491 B12R0.47 CCCCSCC(=O)NCCC#N 527a_100000720768_100000191162 [0,2,0,0,0,0|2,0,0]=4 14492 B12R0.47 CCCCSCC(=O)NCCCF 11a_100015189416_100000191162 [0,2,0,0,0,0|2,0,0]=4 14493 B12R0.47 CCCCSCC(=O)NCCCF 1626a_100015189416_100000191162 [0,2,0,0,0,0|2,0,0]=4 14494 B12R0.47 CCCCSCC(=O)NCCCF 240690a_100015189416_100000191162 [0,2,0,0,0,0|2,0,0]=4 14495 B12R0.47 CCCCSCC(=O)NCCCF 527a_100015189416_100000191162 [0,2,0,0,0,0|2,0,0]=4 14496 B12R0.47 CCCCSCC(=O)NCCCO 240690a_100000182051_100000191162 [0,2,0,0,0,0|2,0,0]=4 14497 B12R0.47 CCCCSCC(=O)NCCCO 527a_100000182051_100000191162 [0,2,0,0,0,0|2,0,0]=4 14498 B12R0.47 CCCCSCC(=O)NCCOC 1626a_100000209980_100000191162 [0,2,0,0,0,0|2,0,0]=4 14499 B12R0.47 CCCCSCC(=O)NCCOC 240690a_100000209980_100000191162 [0,2,0,0,0,0|2,0,0]=4 14500 B12R0.47 CCCCSCC(=O)NCCOC 527a_100000209980_100000191162 [0,2,0,0,0,0|2,0,0]=4 14501 B12R0.47 CCCCSCC(=O)NCCOC 62a_100000183275_100000210210 [0,2,0,0,0,0|2,0,0]=4 14502 B12R0.47 CCCCSCC(=O)NCCOC 62a_100000210211_100000183275 [0,2,0,0,0,0|2,0,0]=4 14503 B12R0.47 CCCCSCC(=O)NCCSC 11a_100020590264_100000191162 [0,2,0,0,0,0|2,0,0]=4 14504 B12R0.47 CCCCSCC(=O)NCCSC 1626a_100020590264_100000191162 [0,2,0,0,0,0|2,0,0]=4 14505 B12R0.47 CCCCSCC(=O)NCCSC 240690a_100020590264_100000191162 [0,2,0,0,0,0|2,0,0]=4 14506 B12R0.47 CCCCSCC(=O)NCCSC 527a_100020590264_100000191162 [0,2,0,0,0,0|2,0,0]=4 14507 B12R0.47 CCCCSCC(=O)NNCCC 22a_100000740057_100000191162 [0,2,0,0,0,0|2,0,0]=4 14508 B12R0.47 CCCCSCC(=O)NNCCO 22a_100000210001_100000191162 [0,2,0,0,0,0|2,0,0]=4 14509 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [0,2,0,0,0,0|1,0,0]=3 14510 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [0,2,0,0,0,0|1,0,0]=3 14511 B12R0.47 CCCNNC(=O)CCCCCO 22a_100000740057_100102619762 [0,2,0,0,0,0|2,0,0]=4 14512 B12R0.47 CCCOCC(=O)CCCCC#N 1458a_100000745993_100000211819 [0,2,0,0,0,0|1,0,1]=4 14513 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,2,0,0,0,0|1,0,0]=3 14514 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,2,0,0,0,0|1,0,0]=3 14515 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,2,0,0,0,0|1,0,0]=3 14516 B12R0.47 CCCOCC(=O)CCCOCC 1458a_100000745993_100012232248 [0,2,0,0,0,0|1,0,0]=3 14517 B12R0.47 CCCOCC(=O)CCOCCO 1458a_100000745993_100011215305 [0,2,0,0,0,0|2,0,0]=4 14518 B12R0.47 CCCOCC(=O)NCCCCO 240690a_100000750430_100000745993 [0,2,0,0,0,0|2,0,0]=4 14519 B12R0.47 CCCOCC(=O)NCCCCO 527a_100000750430_100000745993 [0,2,0,0,0,0|2,0,0]=4 14520 B12R0.47 CCCOCC(=O)NCCCOC 1626a_100150723488_100000745993 [0,2,0,0,0,0|2,0,0]=4 14521 B12R0.47 CCCOCC(=O)NCCCOC 240690a_100150723488_100000745993 [0,2,0,0,0,0|2,0,0]=4 14522 B12R0.47 CCCOCC(=O)NCCCOC 34a_100000210258_100000183178 [0,2,0,0,0,0|2,0,0]=4 14523 B12R0.47 CCCOCC(=O)NCCCOC 527a_100150723488_100000745993 [0,2,0,0,0,0|2,0,0]=4 14524 B12R0.47 CCCOCC(=O)NCCCSC 11a_100000749238_100000745993 [0,2,0,0,0,0|2,0,0]=4 14525 B12R0.47 CCCOCC(=O)NCCCSC 1626a_100000749238_100000745993 [0,2,0,0,0,0|2,0,0]=4 14526 B12R0.47 CCCOCC(=O)NCCCSC 240690a_100000749238_100000745993 [0,2,0,0,0,0|2,0,0]=4 14527 B12R0.47 CCCOCC(=O)NCCCSC 527a_100000749238_100000745993 [0,2,0,0,0,0|2,0,0]=4 14528 B12R0.47 CCCOCC(=O)NCCOCC 11a_100011200944_100000745993 [0,2,0,0,0,0|2,0,0]=4 14529 B12R0.47 CCCOCC(=O)NCCOCC 1626a_102516460346_100000745993 [0,2,0,0,0,0|2,0,0]=4 14530 B12R0.47 CCCOCC(=O)NCCOCC 240690a_100011200944_100000745993 [0,2,0,0,0,0|2,0,0]=4 14531 B12R0.47 CCCOCC(=O)NCCOCC 527a_100011200944_100000745993 [0,2,0,0,0,0|2,0,0]=4 14532 B12R0.47 CCCOCC(=O)NCCSCC 11a_100000106463_100000745993 [0,2,0,0,0,0|2,0,0]=4 14533 B12R0.47 CCCOCC(=O)NCCSCC 1626a_100000106463_100000745993 [0,2,0,0,0,0|2,0,0]=4 14534 B12R0.47 CCCOCC(=O)NCCSCC 240690a_100000106463_100000745993 [0,2,0,0,0,0|2,0,0]=4 14535 B12R0.47 CCCOCC(=O)NCCSCC 527a_100000106463_100000745993 [0,2,0,0,0,0|2,0,0]=4 14536 B12R0.47 CCCOCC(=O)OCCOCC 34a_100000210258_200000101388 [0,2,0,0,0,0|2,0,0]=4 14537 B12R0.47 CCCOCCC(=O)C=CCOC 1458a_100016285016_100011215938 [0,2,0,0,0,0|2,0,0]=4 14538 B12R0.47 CCCOCCC(=O)C=COCC 1458a_100016266692_100011215938 [0,2,0,0,0,0|1,0,0]=3 14539 B12R0.47 CCCOCCC(=O)CCCC#N 1458a_100000075515_100011215938 [0,2,0,0,0,0|2,0,0]=4 14540 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [0,2,0,0,0,0|2,0,0]=4 14541 B12R0.47 CCCOCCC(=O)CCCOC 1458a_100000741012_100011215938 [0,2,0,0,0,0|2,0,0]=4 14542 B12R0.47 CCCOCCC(=O)CCCSC 1458a_100000173376_100011215938 [0,2,0,0,0,0|2,0,0]=4 14543 B12R0.47 CCCOCCC(=O)CCOCC 1458a_100000749530_100011215938 [0,2,0,0,0,0|1,0,0]=3 14544 B12R0.47 CCCOCCC(=O)CCSCC 1458a_100000230768_100011215938 [0,2,0,0,0,0|1,1,0]=4 14545 B12R0.47 CCCOCCC(=O)COCCC 1458a_100000745993_100011215938 [0,2,0,0,0,0|1,0,0]=3 14546 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [0,2,0,0,0,0|1,0,0]=3 14547 B12R0.47 CCCOCCC(=O)CSCCC 1458a_100000217233_100011215938 [0,2,0,0,0,0|1,1,0]=4 14548 B12R0.47 CCCSCC(=O)CCCCCF 1458a_100000217233_100000729378 [0,2,0,0,0,0|1,1,0]=4 14549 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [0,2,0,0,0,0|1,1,0]=4 14550 B12R0.47 CCCSCC(=O)CCCCOC 1458a_100000217233_100000755781 [0,2,0,0,0,0|1,1,0]=4 14551 B12R0.47 CCCSCC(=O)CCCOCC 1458a_100000217233_100012232248 [0,2,0,0,0,0|1,1,0]=4 14552 B12R0.47 CCOC=CC(=O)CCCCC#N 1458a_100016266692_100000211819 [0,2,0,0,0,0|1,0,1]=4 14553 B12R0.47 CCOC=CC(=O)CCCCCF 1458a_100016266692_100000729378 [0,2,0,0,0,0|1,0,0]=3 14554 B12R0.47 CCOC=CC(=O)CCCCCO 1458a_100016266692_100000746330 [0,2,0,0,0,0|1,0,0]=3 14555 B12R0.47 CCOC=CC(=O)CCCCOC 1458a_100016266692_100000755781 [0,2,0,0,0,0|1,0,0]=3 14556 B12R0.47 CCOC=CC(=O)CCCOCC 1458a_100016266692_100012232248 [0,2,0,0,0,0|1,0,0]=3 14557 B12R0.47 CCOC=CC(=O)CCOCCO 1458a_100016266692_100011215305 [0,2,0,0,0,0|2,0,0]=4 14558 B12R0.47 CCOC=CC(=O)NCCCCO 240690a_100000750430_100016266692 [0,2,0,0,0,0|2,0,0]=4 14559 B12R0.47 CCOC=CC(=O)NCCCOC 1626a_100150723488_100016266692 [0,2,0,0,0,0|2,0,0]=4 14560 B12R0.47 CCOC=CC(=O)NCCCOC 240690a_100150723488_100016266692 [0,2,0,0,0,0|2,0,0]=4 14561 B12R0.47 CCOC=CC(=O)NCCCSC 11a_100000749238_100016266692 [0,2,0,0,0,0|2,0,0]=4 14562 B12R0.47 CCOC=CC(=O)NCCCSC 1626a_100000749238_100016266692 [0,2,0,0,0,0|2,0,0]=4 14563 B12R0.47 CCOC=CC(=O)NCCCSC 240690a_100000749238_100016266692 [0,2,0,0,0,0|2,0,0]=4 14564 B12R0.47 CCOC=CC(=O)NCCOCC 11a_100011200944_100016266692 [0,2,0,0,0,0|2,0,0]=4 14565 B12R0.47 CCOC=CC(=O)NCCOCC 1626a_102516460346_100016266692 [0,2,0,0,0,0|2,0,0]=4 14566 B12R0.47 CCOC=CC(=O)NCCOCC 240690a_100011200944_100016266692 [0,2,0,0,0,0|2,0,0]=4 14567 B12R0.47 CCOC=CC(=O)NCCSCC 11a_100000106463_100016266692 [0,2,0,0,0,0|2,0,0]=4 14568 B12R0.47 CCOC=CC(=O)NCCSCC 1626a_100000106463_100016266692 [0,2,0,0,0,0|2,0,0]=4 14569 B12R0.47 CCOC=CC(=O)NCCSCC 240690a_100000106463_100016266692 [0,2,0,0,0,0|2,0,0]=4 14570 B12R0.47 CCOCCC(=O)CCCCC#N 1458a_100000749530_100000211819 [0,2,0,0,0,0|1,0,1]=4 14571 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [0,2,0,0,0,0|1,0,0]=3 14572 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [0,2,0,0,0,0|1,0,0]=3 14573 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [0,2,0,0,0,0|1,0,0]=3 14574 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [0,2,0,0,0,0|1,0,0]=3 14575 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100000749530_100011215305 [0,2,0,0,0,0|2,0,0]=4 14576 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100011229844_100011215890 [0,2,0,0,0,0|2,0,0]=4 14577 B12R0.47 CCOCCC(=O)COCCOC 1458a_100000211095_100011215890 [0,2,0,0,0,0|2,0,0]=4 14578 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [0,2,0,0,0,0|2,0,0]=4 14579 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [0,2,0,0,0,0|2,0,0]=4 14580 B12R0.47 CCOCCC(=O)NCCCOC 1626a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14581 B12R0.47 CCOCCC(=O)NCCCOC 240690a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14582 B12R0.47 CCOCCC(=O)NCCCOC 527a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14583 B12R0.47 CCOCCC(=O)NCCCSC 11a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14584 B12R0.47 CCOCCC(=O)NCCCSC 1626a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14585 B12R0.47 CCOCCC(=O)NCCCSC 240690a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14586 B12R0.47 CCOCCC(=O)NCCCSC 527a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14587 B12R0.47 CCOCCC(=O)NCCSCC 11a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14588 B12R0.47 CCOCCC(=O)NCCSCC 1626a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14589 B12R0.47 CCOCCC(=O)NCCSCC 240690a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14590 B12R0.47 CCOCCC(=O)NCCSCC 527a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14591 B12R0.47 CCOCCCC(=O)C=CCOC 1458a_100016285016_100012232248 [0,2,0,0,0,0|2,0,0]=4 14592 B12R0.47 CCOCCCC(=O)CCCC#N 1458a_100000075515_100012232248 [0,2,0,0,0,0|2,0,0]=4 14593 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [0,2,0,0,0,0|2,0,0]=4 14594 B12R0.47 CCOCCCC(=O)CCCOC 1458a_100000741012_100012232248 [0,2,0,0,0,0|2,0,0]=4 14595 B12R0.47 CCOCCCC(=O)CCCSC 1458a_100000173376_100012232248 [0,2,0,0,0,0|2,0,0]=4 14596 B12R0.47 CCOCCCC(=O)CCOCC 1458a_100000749530_100012232248 [0,2,0,0,0,0|1,0,0]=3 14597 B12R0.47 CCOCCCC(=O)CCSCC 1458a_100000230768_100012232248 [0,2,0,0,0,0|1,1,0]=4 14598 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [0,2,0,0,0,0|1,0,0]=3 14599 B12R0.47 CCOCCNC(=O)CCOCC 11a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14600 B12R0.47 CCOCCNC(=O)CCOCC 1626a_102516460346_100000749530 [0,2,0,0,0,0|2,0,0]=4 14601 B12R0.47 CCOCCNC(=O)CCOCC 240690a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14602 B12R0.47 CCOCCNC(=O)CCOCC 527a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14603 B12R0.47 CCOCCNC(=O)COCCO 1626a_102516460346_100000708028 [0,2,0,0,0,0|2,0,0]=4 14604 B12R0.47 CCOCCNC(=O)COCCO 240690a_100011200944_100000708028 [0,2,0,0,0,0|2,0,0]=4 14605 B12R0.47 CCOCCOC(=O)COCCBr 34a_100000211926_200000101388 [0,2,0,0,0,0|2,0,0]=4 14606 B12R0.47 CCOCCOC(=O)COCCN 34a_100000210304_200000101388 [0,2,0,0,0,0|2,0,0]=4 14607 B12R0.47 CCOCSCC(=O)OCCOC 62a_100000739092_200000040189 [0,2,0,0,0,0|2,0,0]=4 14608 B12R0.47 CCOCSCC(=O)OCCOC 62a_200000040189_100000739092 [0,2,0,0,0,0|2,0,0]=4 14609 B12R0.47 CCSCCC(=O)CCCCCF 1458a_100000230768_100000729378 [0,2,0,0,0,0|1,1,0]=4 14610 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [0,2,0,0,0,0|1,1,0]=4 14611 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [0,2,0,0,0,0|1,1,0]=4 14612 B12R0.47 CCSCCC(=O)CCCCOC 1458a_100000230768_100000755781 [0,2,0,0,0,0|1,1,0]=4 14613 B12R0.47 CCSCCNC(=O)COCCO 1626a_100000106463_100000708028 [0,2,0,0,0,0|2,0,0]=4 14614 B12R0.47 CCSCCNC(=O)COCCO 240690a_100000106463_100000708028 [0,2,0,0,0,0|2,0,0]=4 14615 B12R0.47 COCC=CC(=O)CCCCCF 1458a_100016285016_100000729378 [0,2,0,0,0,0|2,0,0]=4 14616 B12R0.47 COCC=CC(=O)CCCCCO 1458a_100016285016_100000746330 [0,2,0,0,0,0|2,0,0]=4 14617 B12R0.47 COCC=CC(=O)CCCCOC 1458a_100016285016_100000755781 [0,2,0,0,0,0|2,0,0]=4 14618 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [0,2,0,0,0,0|2,0,0]=4 14619 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,2,0,0,0,0|2,0,0]=4 14620 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,2,0,0,0,0|2,0,0]=4 14621 B12R0.47 COCCCCC(=O)CCCC#N 1458a_100000075515_100000755781 [0,2,0,0,0,0|2,0,0]=4 14622 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,2,0,0,0,0|2,0,0]=4 14623 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [0,2,0,0,0,0|2,0,0]=4 14624 B12R0.47 COCCCCC(=O)CCCSC 1458a_100000173376_100000755781 [0,2,0,0,0,0|2,0,0]=4 14625 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,2,0,0,0,0|1,0,0]=3 14626 B12R0.47 COCCCNC(=O)COCCBr 34a_100000211926_100000183178 [0,2,0,0,0,0|2,0,0]=4 14627 B12R0.47 COCCCNC(=O)COCCN 34a_100000210304_100000183178 [0,2,0,0,0,0|2,0,0]=4 14628 B12R0.47 COCCCNC(=O)COCCO 1626a_100150723488_100000708028 [0,2,0,0,0,0|2,0,0]=4 14629 B12R0.47 COCCCNC(=O)COCCO 240690a_100150723488_100000708028 [0,2,0,0,0,0|2,0,0]=4 14630 B12R0.47 COCCNC(=O)CCCCCO 240690a_100000209980_100102619762 [0,2,0,0,0,0|2,0,0]=4 14631 B12R0.47 COCCNCC(=O)OCCOC 2230a_100000209980_200000040189 [0,2,0,0,0,0|2,0,0]=4 14632 B12R0.47 COCCOC(=O)CNCCCF 2230a_100015189416_200000040189 [0,2,0,0,0,0|2,0,0]=4 14633 B12R0.47 COCCOC(=O)CNCCCF 34a_100015189416_200000040189 [0,2,0,0,0,0|2,0,0]=4 14634 B12R0.47 COCCOC(=O)CNCCSC 2230a_100020590264_200000040189 [0,2,0,0,0,0|2,0,0]=4 14635 B12R0.47 COCCOC(=O)COCCCBr 34a_100011217188_200000040189 [0,2,0,0,0,0|2,0,0]=4 14636 B12R0.47 COCCOC(=O)COCCCCl 34a_100000230001_200000040189 [0,2,0,0,0,0|2,0,0]=4 14637 B12R0.47 COCCOC(=O)COCCCF 34a_100000759539_200000040189 [0,2,0,0,0,0|2,0,0]=4 14638 B12R0.47 COCCOC(=O)COCCCN 34a_100000182051_200000040189 [0,2,0,0,0,0|2,0,0]=4 14639 B12R0.47 COCCOC(=O)COCCSC 34a_100000230434_200000040189 [0,2,0,0,0,0|2,0,0]=4 14640 B12R0.47 COCCOC(=O)COCCSC 7a_100000230434_200000040189 [0,2,0,0,0,0|2,0,0]=4 14641 B12R0.47 COCCOC(=O)CSCCCF 62a_100011934791_200000040189 [0,2,0,0,0,0|2,0,0]=4 14642 B12R0.47 COCCOC(=O)CSCCCF 62a_200000040189_100011934791 [0,2,0,0,0,0|2,0,0]=4 14643 B12R0.47 COCCOC(=O)CSCCCO 62a_100011215043_200000040189 [0,2,0,0,0,0|2,0,0]=4 14644 B12R0.47 COCCOC(=O)CSCCCO 62a_200000040189_100011215043 [0,2,0,0,0,0|2,0,0]=4 14645 B12R0.47 COCCOC(=O)CSCCOC 62a_100000233755_200000040189 [0,2,0,0,0,0|2,0,0]=4 14646 B12R0.47 COCCOC(=O)CSCCOC 62a_200000040189_100000233755 [0,2,0,0,0,0|2,0,0]=4 14647 B12R0.47 COCCOC(=O)CSCCSC 62a_100000212216_200000040189 [0,2,0,0,0,0|2,0,0]=4 14648 B12R0.47 COCCOC(=O)CSCCSC 62a_200000040189_100000751147 [0,2,0,0,0,0|2,0,0]=4 14649 B12R0.47 COCCOCC(=O)OCCOC 34a_100000210237_200000040189 [0,2,0,0,0,0|2,0,0]=4 14650 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [0,2,0,0,0,0|2,0,0]=4 14651 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,2,0,0,0,0|2,0,0]=4 14652 B12R0.47 CSCCCNC(=O)COCCO 1626a_100000749238_100000708028 [0,2,0,0,0,0|2,0,0]=4 14653 B12R0.47 CSCCCNC(=O)COCCO 240690a_100000749238_100000708028 [0,2,0,0,0,0|2,0,0]=4 14654 B12R0.47 CSCCNC(=O)CCCCCO 240690a_100020590264_100102619762 [0,2,0,0,0,0|2,0,0]=4 14655 B12R0.47 N#CCCCC(=O)CCCCCF 1458a_100000075515_100000729378 [0,2,0,0,0,0|2,0,0]=4 14656 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100000075515_100000746330 [0,2,0,0,0,0|2,0,0]=4 14657 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100102619762_100000211468 [0,2,0,0,0,0|2,0,0]=4 14658 B12R0.47 N#CCCCCC(=O)COCCO 1458a_100000708028_100000211819 [0,2,0,0,0,0|1,0,1]=4 14659 B12R0.47 N#CCCNC(=O)CCCCCO 240690a_100000720768_100102619762 [0,2,0,0,0,0|2,0,0]=4 14660 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [0,2,0,0,0,0|1,0,0]=3 14661 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [0,2,0,0,0,0|1,0,0]=3 14662 B12R0.47 O=C(CCCCCO)NCCCF 240690a_100015189416_100102619762 [0,2,0,0,0,0|2,0,0]=4 14663 B12R0.47 O=C(CCCCCO)NCCCO 240690a_100000182051_100102619762 [0,2,0,0,0,0|2,0,0]=4 14664 B12R0.47 O=C(CCCCCO)NNCCO 22a_100000210001_100102619762 [0,2,0,0,0,0|2,0,0]=4 14665 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,2,0,0,0,0|2,0,0]=4 14666 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,2,0,0,0,0|2,0,0]=4 14667 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,2,0,0,0,0|2,0,0]=4 14668 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,2,0,0,0,0|2,0,0]=4 14669 B12R0.47 O=C(CCOCCO)COCCO 1458a_100000708028_100011215305 [0,2,0,0,0,0|2,0,0]=4 14670 B12R0.47 O=C(COCCO)NCCCCO 240690a_100000750430_100000708028 [0,2,0,0,0,0|2,0,0]=4 14671 B12R0.95 C#CCCC(=O)CCCCC(C)C 1458a_100000692101_100011216152 [0,2,0,0,0,0|1,0,1]=4 14672 B12R0.95 C#CCCC(=O)CCCCC(C)C 1458a_100011933920_100000753159 [0,2,0,0,0,0|1,0,1]=4 14673 B12R0.95 C#CCNC(=O)CCCCC(C)C 11a_100000212058_100011933920 [0,2,0,0,0,0|1,0,1]=4 14674 B12R0.95 C#CCNC(=O)CCCCC(C)C 1626a_100000212058_100011933920 [0,2,0,0,0,0|1,0,1]=4 14675 B12R0.95 C#CCNC(=O)CCCCC(C)C 240690a_100000212058_100011933920 [0,2,0,0,0,0|1,0,1]=4 14676 B12R0.95 C#CCNC(=O)CCCCC(C)C 527a_100000212058_100011933920 [0,2,0,0,0,0|1,0,1]=4 14677 B12R0.95 C/C=C/CC(=O)CCCCC(C)C 1458a_100011933920_100102629194 [0,2,0,0,0,0|1,0,1]=4 14678 B12R0.95 C=C(C)CCOCC(=O)OCCC 34a_100000764851_200011215008 [0,2,0,0,0,0|1,0,1]=4 14679 B12R0.95 C=C(C)CCSCC(=O)OCCC 62a_100000730704_200011215008 [0,2,0,0,0,0|1,0,1]=4 14680 B12R0.95 C=C(C)CCSCC(=O)OCCC 62a_200011215008_100000730704 [0,2,0,0,0,0|1,0,1]=4 14681 B12R0.95 C=C(COCCC(C)Br)OCOC 34a_100009893172_100000042856 [0,2,0,0,0,0|2,0,0]=4 14682 B12R0.95 C=C(COCCC(C)C)OCOC 34a_100000210254_100000042856 [0,2,0,0,0,0|2,0,0]=4 14683 B12R0.95 C=C(COCC[C@@H](C)N)OCOC 34a_100000706166_100000042856 [0,2,0,0,0,0|2,0,0]=4 14684 B12R0.95 C=C(CSCCC(C)C)OCOC 62a_100000042856_100000210312 [0,2,0,0,0,0|2,0,0]=4 14685 B12R0.95 C=C(CSCCC(C)C)OCOC 62a_100000210312_100000042856 [0,2,0,0,0,0|2,0,0]=4 14686 B12R0.95 C=C(CSCCC(C)O)OCOC 62a_100000042856_100012276601 [0,2,0,0,0,0|2,0,0]=4 14687 B12R0.95 C=C(CSCCC(C)O)OCOC 62a_100012276601_100000042856 [0,2,0,0,0,0|2,0,0]=4 14688 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100000749702_100011216152 [0,2,0,0,0,0|1,0,1]=4 14689 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100011933920_100000754431 [0,2,0,0,0,0|1,0,1]=4 14690 B12R0.95 C=CCNC(=O)CCCCC(C)C 1626a_100020586998_100011933920 [0,2,0,0,0,0|1,0,1]=4 14691 B12R0.95 C=CCNC(=O)CCCCC(C)C 240690a_100020586998_100011933920 [0,2,0,0,0,0|1,0,1]=4 14692 B12R0.95 C=CCNC(=O)CCCCC(C)C 527a_100020586998_100011933920 [0,2,0,0,0,0|1,0,1]=4 14693 B12R0.95 C=CCOC(=O)CNCCC(C)O 2230a_200000755665_100000033060 [0,2,0,0,0,0|1,0,1]=4 14694 B12R0.95 C=CCOC(=O)COCCC(C)Br 34a_100009893172_100000033060 [0,2,0,0,0,0|1,0,1]=4 14695 B12R0.95 C=CCOC(=O)COCCC(C)C 34a_100000210254_100000033060 [0,2,0,0,0,0|1,0,1]=4 14696 B12R0.95 C=CCOC(=O)COCCC(C)C 7a_100000210254_100000033060 [0,2,0,0,0,0|1,0,1]=4 14697 B12R0.95 C=CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000033060 [0,2,0,0,0,0|1,0,1]=4 14698 B12R0.95 C=CCOC(=O)CSCCC(C)C 62a_100000033060_100000210312 [0,2,0,0,0,0|1,0,1]=4 14699 B12R0.95 C=CCOC(=O)CSCCC(C)C 62a_100000210312_100000033060 [0,2,0,0,0,0|1,0,1]=4 14700 B12R0.95 C=CCOC(=O)CSCCC(C)O 62a_100000033060_100012276601 [0,2,0,0,0,0|1,0,1]=4 14701 B12R0.95 C=CCOC(=O)CSCCC(C)O 62a_100012276601_100000033060 [0,2,0,0,0,0|1,0,1]=4 14702 B12R0.95 CC#CCC(=O)CCCCC(C)C 1458a_100011933920_100000748600 [0,2,0,0,0,0|1,0,1]=4 14703 B12R0.95 CC(C)CCCCC(=O)C#CCO 1458a_100000049017_100011216152 [0,2,0,0,0,0|1,0,1]=4 14704 B12R0.95 CC(C)CCCCC(=O)CCC#N 1458a_100011933920_100011215226 [0,2,0,0,0,0|1,0,1]=4 14705 B12R0.95 CC(C)CCCCC(=O)CCC#N 1458a_100011934036_100011216152 [0,2,0,0,0,0|1,0,1]=4 14706 B12R0.95 CC(C)CCCCC(=O)CCCF 1458a_100011933920_100011934791 [0,2,0,0,0,0|1,0,0]=3 14707 B12R0.95 CC(C)CCCCC(=O)CCCO 1458a_100011933920_100011215043 [0,2,0,0,0,0|1,0,0]=3 14708 B12R0.95 CC(C)CCCCC(=O)NCC#N 1626a_100000734998_100011933920 [0,2,0,0,0,0|1,0,1]=4 14709 B12R0.95 CC(C)CCCCC(=O)NCC#N 527a_100000734998_100011933920 [0,2,0,0,0,0|1,0,1]=4 14710 B12R0.95 CC(C)CCCCC(=O)NCCF 11a_100000724931_100011933920 [0,2,0,0,0,0|1,0,0]=3 14711 B12R0.95 CC(C)CCCCC(=O)NCCF 1626a_100000724931_100011933920 [0,2,0,0,0,0|1,0,0]=3 14712 B12R0.95 CC(C)CCCCC(=O)NCCF 240690a_100000724931_100011933920 [0,2,0,0,0,0|1,0,0]=3 14713 B12R0.95 CC(C)CCCCC(=O)NCCF 527a_100000724931_100011933920 [0,2,0,0,0,0|1,0,0]=3 14714 B12R0.95 CC(C)CCCCC(=O)NCCO 240690a_100000210304_100011933920 [0,2,0,0,0,0|1,0,0]=3 14715 B12R0.95 CC(C)CCCCC(=O)NCCO 527a_100000210304_100011933920 [0,2,0,0,0,0|1,0,0]=3 14716 B12R0.95 CC(C)CCCNC(=O)NCCF 2708a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14717 B12R0.95 CC(C)CCCNC(=O)NCCF 273464a_100000724931_200000737386 [0,2,0,0,0,0|2,0,0]=4 14718 B12R0.95 CC(C)CCCNC(=O)NCCF 273464a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14719 B12R0.95 CC(C)CCCNC(=O)NCCF 512a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14720 B12R0.95 CC(C)CCCNC(=O)NCCO 2708a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14721 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_100000210304_200000737386 [0,2,0,0,0,0|2,0,0]=4 14722 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14723 B12R0.95 CC(C)CCCNC(=O)NCCO 512a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14724 B12R0.95 CC(C)CCNCC(=O)NCCF 2230a_100000725713_100000210312 [0,2,0,0,0,0|2,0,0]=4 14725 B12R0.95 CC(O)CCNCC(=O)NCCF 2230a_100000725713_100012276601 [0,2,0,0,0,0|2,0,0]=4 14726 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100011933920_100000070051 [0,2,0,0,0,0|1,0,1]=4 14727 B12R0.95 CC=CCC(=O)CCCCC(C)C 1458a_100121576822_100011216152 [0,2,0,0,0,0|1,0,1]=4 14728 B12R0.95 CCC#CC(=O)CCCCC(=O)C 1458a_100011827653_100000735457 [0,2,0,0,0,0|1,0,1]=4 14729 B12R0.95 CCC#CC(=O)CCCCC(C)C 1458a_100011827653_100011216152 [0,2,0,0,0,0|1,0,0]=3 14730 B12R0.95 CCC=CC(=O)CCCCC(=O)C 1458a_100000212282_100000735457 [0,2,0,0,0,0|1,0,1]=4 14731 B12R0.95 CCC=CC(=O)CCCCC(C)C 1458a_100000212282_100011216152 [0,2,0,0,0,0|1,0,0]=3 14732 B12R0.95 CCC=CC(=O)NCCCC(C)C 11a_200000737386_100000212282 [0,2,0,0,0,0|2,0,0]=4 14733 B12R0.95 CCC=CC(=O)NCCCC(C)C 1626a_200000737386_100000212282 [0,2,0,0,0,0|2,0,0]=4 14734 B12R0.95 CCC=CC(=O)NCCCC(C)C 240690a_200000737386_100000212282 [0,2,0,0,0,0|2,0,0]=4 14735 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,2,0,0,0,0|1,0,1]=4 14736 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,2,0,0,0,0|1,0,0]=3 14737 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,2,0,0,0,0|1,0,0]=3 14738 B12R0.95 CCCCC(=O)NCCCC(C)C 11a_200000737386_100000210183 [0,2,0,0,0,0|2,0,0]=4 14739 B12R0.95 CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210183 [0,2,0,0,0,0|2,0,0]=4 14740 B12R0.95 CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210183 [0,2,0,0,0,0|2,0,0]=4 14741 B12R0.95 CCCCC(=O)NCCCC(C)C 527a_200000737386_100000210183 [0,2,0,0,0,0|2,0,0]=4 14742 B12R0.95 CCCNC(=O)CCCCC(C)C 11a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14743 B12R0.95 CCCNC(=O)CCCCC(C)C 1626a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14744 B12R0.95 CCCNC(=O)CCCCC(C)C 240690a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14745 B12R0.95 CCCNC(=O)CCCCC(C)C 527a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14746 B12R0.95 CCCNC(=O)CCCCN(C)C 11a_100020643023_100000751710 [0,2,0,0,0,0|2,0,0]=4 14747 B12R0.95 CCCNC(=O)CCCCN(C)C 240690a_100020643023_100000751710 [0,2,0,0,0,0|2,0,0]=4 14748 B12R0.95 CCCNC(=O)CCCCN(C)C 527a_100020643023_100000751710 [0,2,0,0,0,0|2,0,0]=4 14749 B12R0.95 CCCNC(=O)CCCNC(C)C 2230a_100138425928_100011194427 [0,2,0,0,0,0|2,0,0]=4 14750 B12R0.95 CCCNC(=O)CCCSC(C)C 62a_100000210206_100011194427 [0,2,0,0,0,0|2,0,0]=4 14751 B12R0.95 CCCNC(=O)CCCSC(C)C 62a_100011194427_100000210206 [0,2,0,0,0,0|2,0,0]=4 14752 B12R0.95 CCCNC(=O)CNCCC(C)C 2230a_100000174927_100000210312 [0,2,0,0,0,0|2,0,0]=4 14753 B12R0.95 CCCNC(=O)CNCCC(C)C 269862a_100000174927_100000185833 [0,2,0,0,0,0|2,0,0]=4 14754 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_100000174927_100012276601 [0,2,0,0,0,0|2,0,0]=4 14755 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_200000755665_100000183358 [0,2,0,0,0,0|2,0,0]=4 14756 B12R0.95 CCCNC(=O)COCCC(C)Br 34a_100009893172_100000183358 [0,2,0,0,0,0|2,0,0]=4 14757 B12R0.95 CCCNC(=O)COCCC(C)C 34a_100000210254_100000183358 [0,2,0,0,0,0|2,0,0]=4 14758 B12R0.95 CCCNC(=O)COCCC(C)C 7a_100000210254_100000183358 [0,2,0,0,0,0|2,0,0]=4 14759 B12R0.95 CCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183358 [0,2,0,0,0,0|2,0,0]=4 14760 B12R0.95 CCCNC(=O)CSCCC(C)C 62a_100000183358_100000210312 [0,2,0,0,0,0|2,0,0]=4 14761 B12R0.95 CCCNC(=O)CSCCC(C)C 62a_100000210312_100000183358 [0,2,0,0,0,0|2,0,0]=4 14762 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100000183358_100012276601 [0,2,0,0,0,0|2,0,0]=4 14763 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100012276601_100000183358 [0,2,0,0,0,0|2,0,0]=4 14764 B12R0.95 CCCNC(=O)NCCCC(C)C 2708a_100020643023_200000737386 [0,2,0,0,0,0|2,0,0]=4 14765 B12R0.95 CCCNC(=O)NCCCC(C)C 2708a_200000737386_100020643023 [0,2,0,0,0,0|2,0,0]=4 14766 B12R0.95 CCCNC(=O)NCCCC(C)C 273464a_100020643023_200000737386 [0,2,0,0,0,0|2,0,0]=4 14767 B12R0.95 CCCNC(=O)NCCCC(C)C 273464a_200000737386_100020643023 [0,2,0,0,0,0|2,0,0]=4 14768 B12R0.95 CCCNC(=O)NCCCC(C)C 512a_100020643023_200000737386 [0,2,0,0,0,0|2,0,0]=4 14769 B12R0.95 CCCNC(=O)NCCCC(C)C 512a_200000737386_100020643023 [0,2,0,0,0,0|2,0,0]=4 14770 B12R0.95 CCCOC(=O)CNCCC(C)O 2230a_200000755665_200011215008 [0,2,0,0,0,0|1,0,0]=3 14771 B12R0.95 CCCOC(=O)COCCC(=O)C 34a_100000759926_200011215008 [0,2,0,0,0,0|1,0,1]=4 14772 B12R0.95 CCCOC(=O)COCCC(=O)C 7a_100000759926_200011215008 [0,2,0,0,0,0|1,0,1]=4 14773 B12R0.95 CCCOC(=O)COCCC(C)Br 34a_100009893172_200011215008 [0,2,0,0,0,0|1,0,0]=3 14774 B12R0.95 CCCOC(=O)COCCC(C)C 34a_100000210254_200011215008 [0,2,0,0,0,0|1,0,0]=3 14775 B12R0.95 CCCOC(=O)COCCC(C)C 7a_100000210254_200011215008 [0,2,0,0,0,0|1,0,0]=3 14776 B12R0.95 CCCOC(=O)COCCC(F)F 34a_100103093639_200011215008 [0,2,0,0,0,0|2,0,0]=4 14777 B12R0.95 CCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200011215008 [0,2,0,0,0,0|1,0,0]=3 14778 B12R0.95 CCCOC(=O)CSCCC(=O)C 62a_100000053229_200011215008 [0,2,0,0,0,0|1,0,1]=4 14779 B12R0.95 CCCOC(=O)CSCCC(=O)C 62a_200011215008_100000053229 [0,2,0,0,0,0|1,0,1]=4 14780 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_100000210312_200011215008 [0,2,0,0,0,0|1,0,0]=3 14781 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_200011215008_100000210312 [0,2,0,0,0,0|1,0,0]=3 14782 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_100012276601_200011215008 [0,2,0,0,0,0|1,0,0]=3 14783 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_200011215008_100012276601 [0,2,0,0,0,0|1,0,0]=3 14784 B12R0.95 CCCOC(=O)CSCCN(C)C 62a_200011215008_100000755713 [0,2,0,0,0,0|2,0,0]=4 14785 B12R0.95 CCCOC(=O)CSCOC(C)C 62a_100000709892_200011215008 [0,2,0,0,0,0|2,0,0]=4 14786 B12R0.95 CCCOC(=O)CSCOC(C)C 62a_200011215008_100000709892 [0,2,0,0,0,0|2,0,0]=4 14787 B12R0.95 CCCOC(=O)OCNCC(C)C 34a_100000210953_200000139673 [0,2,0,0,0,0|2,0,0]=4 14788 B12R0.95 CCCOC(=O)OCNCC(C)O 34a_100000210904_200000139673 [0,2,0,0,0,0|2,0,0]=4 14789 B12R0.95 CCCOC(=O)OCOCC(C)Br 34a_100012180447_200000139673 [0,2,0,0,0,0|2,0,0]=4 14790 B12R0.95 CCCOC(=O)OCOCC(C)C 34a_100000210257_200000139673 [0,2,0,0,0,0|2,0,0]=4 14791 B12R0.95 CCCOC(=O)OCOCC(C)F 34a_100015925927_200000139673 [0,2,0,0,0,0|2,0,0]=4 14792 B12R0.95 CCCOC(=O)OCOC[C@@H](C)Cl 34a_100016084084_200000139673 [0,2,0,0,0,0|2,0,0]=4 14793 B12R0.95 CCCOC(=O)OCOC[C@@H](C)N 34a_100000737577_200000139673 [0,2,0,0,0,0|2,0,0]=4 14794 B12R0.95 CCCOC(=O)OCSCC(C)C 62a_100000210624_200000139673 [0,2,0,0,0,0|2,0,0]=4 14795 B12R0.95 CCCOC(=O)OCSCC(C)O 62a_100011218427_200000139673 [0,2,0,0,0,0|2,0,0]=4 14796 B12R0.95 CCCOC(=O)OCSC[C@@H](C)O 62a_100009817552_200000139673 [0,2,0,0,0,0|2,0,0]=4 14797 B12R0.95 CCNNC(=O)CCCCC(C)C 22a_100000756455_100011933920 [0,2,0,0,0,0|1,0,0]=3 14798 B12R0.95 CCNNC(=O)CCCCN(C)C 22a_100000756455_100000751710 [0,2,0,0,0,0|2,0,0]=4 14799 B12R0.95 CCNNC(=O)NCCCC(C)C 273464a_200000737386_100000756455 [0,2,0,0,0,0|2,0,0]=4 14800 B12R0.95 CCNNC(=O)NCCCC(C)C 512a_100000756455_200000737386 [0,2,0,0,0,0|2,0,0]=4 14801 B12R0.95 CCNNC(=O)NCCCC(C)C 512a_200000737386_100000756455 [0,2,0,0,0,0|2,0,0]=4 14802 B12R0.95 CCOCC(=O)CCCCB(O)O 1458a_100000211967_200009817182 [0,2,0,0,0,0|2,0,0]=4 14803 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,2,0,0,0,0|0,0,1]=3 14804 B12R0.95 CCOCC(=O)CCCCC(C)C 1458a_100000211967_100011216152 [0,2,0,0,0,0|0,0,0]=2 14805 B12R0.95 CCOCC(=O)CCCOC(=O)C 1458a_100000211967_100000042594 [0,2,0,0,0,0|1,0,1]=4 14806 B12R0.95 CCOCC(=O)CCCOC(=S)C 1458a_100000211967_200135323944 [0,2,0,0,0,0|1,0,1]=4 14807 B12R0.95 CCOCC(=O)CCCSC(=O)C 1458a_100000211967_100000038929 [0,2,0,0,0,0|1,0,1]=4 14808 B12R0.95 CCOCC(=O)CCOCC(F)F 1458a_100000211967_200012177212 [0,2,0,0,0,0|2,0,0]=4 14809 B12R0.95 CCOCC(=O)NCCCC(C)C 11a_200000737386_100000211967 [0,2,0,0,0,0|1,0,0]=3 14810 B12R0.95 CCOCC(=O)NCCCC(C)C 1626a_200000737386_100000211967 [0,2,0,0,0,0|1,0,0]=3 14811 B12R0.95 CCOCC(=O)NCCCC(C)C 240690a_200000737386_100000211967 [0,2,0,0,0,0|1,0,0]=3 14812 B12R0.95 CCOCC(=O)NCCCC(C)C 527a_200000737386_100000211967 [0,2,0,0,0,0|1,0,0]=3 14813 B12R0.95 CCOCC(=O)NCCCN(C)C 240690a_102531767803_100000211967 [0,2,0,0,0,0|2,0,0]=4 14814 B12R0.95 CCOCC(=O)NCCCN(C)C 527a_102531767803_100000211967 [0,2,0,0,0,0|2,0,0]=4 14815 B12R0.95 CCOCC(=O)NCCCS(=O)C 11a_200000753449_100000211967 [0,2,0,0,0,0|2,0,0]=4 14816 B12R0.95 CCOCC(=O)NCCCS(=O)C 240690a_200000753449_100000211967 [0,2,0,0,0,0|2,0,0]=4 14817 B12R0.95 CCOCC(=O)NCCCS(=O)C 527a_200000753449_100000211967 [0,2,0,0,0,0|2,0,0]=4 14818 B12R0.95 CCOCC(=O)NCCOC(C)C 11a_100000701111_100000211967 [0,2,0,0,0,0|2,0,0]=4 14819 B12R0.95 CCOCC(=O)NCCOC(C)C 1626a_100000701111_100000211967 [0,2,0,0,0,0|2,0,0]=4 14820 B12R0.95 CCOCC(=O)NCCOC(C)C 240690a_100000701111_100000211967 [0,2,0,0,0,0|2,0,0]=4 14821 B12R0.95 CCOCC(=O)NCCOC(C)C 527a_100000701111_100000211967 [0,2,0,0,0,0|2,0,0]=4 14822 B12R0.95 CCOCC(=O)NCCSC(C)C 11a_100000731138_100000211967 [0,2,0,0,0,0|2,0,0]=4 14823 B12R0.95 CCOCC(=O)NCCSC(C)C 1626a_100000731138_100000211967 [0,2,0,0,0,0|2,0,0]=4 14824 B12R0.95 CCOCC(=O)NCCSC(C)C 240690a_100000731138_100000211967 [0,2,0,0,0,0|2,0,0]=4 14825 B12R0.95 CCOCC(=O)NCCSC(C)C 527a_100000731138_100000211967 [0,2,0,0,0,0|2,0,0]=4 14826 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,2,0,0,0,0|0,1,1]=4 14827 B12R0.95 CCSCC(=O)CCCCC(C)C 1458a_100000230394_100011216152 [0,2,0,0,0,0|0,1,0]=3 14828 B12R0.95 CCSCC(=O)NCCCC(C)C 11a_200000737386_100000230394 [0,2,0,0,0,0|1,1,0]=4 14829 B12R0.95 CCSCC(=O)NCCCC(C)C 1626a_200000737386_100000230394 [0,2,0,0,0,0|1,1,0]=4 14830 B12R0.95 CCSCC(=O)NCCCC(C)C 240690a_200000737386_100000230394 [0,2,0,0,0,0|1,1,0]=4 14831 B12R0.95 CCSCC(=O)NCCCC(C)C 527a_200000737386_100000230394 [0,2,0,0,0,0|1,1,0]=4 14832 B12R0.95 CN(C)CCCCC(=O)NCCF 11a_100000724931_100000751710 [0,2,0,0,0,0|2,0,0]=4 14833 B12R0.95 CN(C)CCCCC(=O)NCCF 240690a_100000724931_100000751710 [0,2,0,0,0,0|2,0,0]=4 14834 B12R0.95 CN(C)CCCCC(=O)NCCF 527a_100000724931_100000751710 [0,2,0,0,0,0|2,0,0]=4 14835 B12R0.95 CN(C)CCCCC(=O)NCCO 240690a_100000210304_100000751710 [0,2,0,0,0,0|2,0,0]=4 14836 B12R0.95 CN(C)CCCCC(=O)NCCO 527a_100000210304_100000751710 [0,2,0,0,0,0|2,0,0]=4 14837 B12R0.95 COC=CC(=O)CCCCC(C)C 1458a_100016268678_100011216152 [0,2,0,0,0,0|1,0,1]=4 14838 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,2,0,0,0,0|1,0,1]=4 14839 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100000749529_100011216152 [0,2,0,0,0,0|1,0,0]=3 14840 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100011933920_100000233755 [0,2,0,0,0,0|1,0,0]=3 14841 B12R0.95 COCCC(=O)NCCCC(C)C 11a_200000737386_100000749529 [0,2,0,0,0,0|2,0,0]=4 14842 B12R0.95 COCCC(=O)NCCCC(C)C 1626a_200000737386_100000749529 [0,2,0,0,0,0|2,0,0]=4 14843 B12R0.95 COCCC(=O)NCCCC(C)C 240690a_200000737386_100000749529 [0,2,0,0,0,0|2,0,0]=4 14844 B12R0.95 COCCC(=O)NCCCC(C)C 527a_200000737386_100000749529 [0,2,0,0,0,0|2,0,0]=4 14845 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,2,0,0,0,0|1,0,1]=4 14846 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100000174002_100011216152 [0,2,0,0,0,0|1,0,0]=3 14847 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100011933920_100000751147 [0,2,0,0,0,0|1,0,0]=3 14848 B12R0.95 CSCCC(=O)NCCCC(C)C 11a_200000737386_100000174002 [0,2,0,0,0,0|2,0,0]=4 14849 B12R0.95 CSCCC(=O)NCCCC(C)C 1626a_200000737386_100000174002 [0,2,0,0,0,0|2,0,0]=4 14850 B12R0.95 CSCCC(=O)NCCCC(C)C 240690a_200000737386_100000174002 [0,2,0,0,0,0|2,0,0]=4 14851 B12R0.95 CSCCC(=O)NCCCC(C)C 527a_200000737386_100000174002 [0,2,0,0,0,0|2,0,0]=4 14852 B12R0.102 C=C(CSCC(C)CC)OCOC 62a_100000042856_100000748023 [0,2,0,0,0,0|2,0,0]=4 14853 B12R0.102 C=C(CSCC(C)CC)OCOC 62a_100000748023_100000042856 [0,2,0,0,0,0|2,0,0]=4 14854 B12R0.102 C=C(CSCC(O)CC)OCOC 62a_100000042856_100011218378 [0,2,0,0,0,0|2,0,0]=4 14855 B12R0.102 C=C(CSCC(O)CC)OCOC 62a_100011218378_100000042856 [0,2,0,0,0,0|2,0,0]=4 14856 B12R0.102 C=C(CSC[C@@H](C)CC)OCOC 62a_100000042856_100009816398 [0,2,0,0,0,0|2,0,0]=4 14857 B12R0.102 C=C(CSC[C@@H](C)CC)OCOC 62a_100009816398_100000042856 [0,2,0,0,0,0|2,0,0]=4 14858 B12R0.102 C=CCOC(=O)CNCC(C)CC 2230a_100020588543_100000033060 [0,2,0,0,0,0|1,0,1]=4 14859 B12R0.102 C=CCOC(=O)CNCC(O)CC 2230a_100011218483_100000033060 [0,2,0,0,0,0|1,0,1]=4 14860 B12R0.102 C=CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000033060 [0,2,0,0,0,0|1,0,1]=4 14861 B12R0.102 C=CCOC(=O)CSCC(C)CC 62a_100000033060_100000748023 [0,2,0,0,0,0|1,0,1]=4 14862 B12R0.102 C=CCOC(=O)CSCC(C)CC 62a_100000748023_100000033060 [0,2,0,0,0,0|1,0,1]=4 14863 B12R0.102 C=CCOC(=O)CSCC(O)CC 62a_100000033060_100011218378 [0,2,0,0,0,0|1,0,1]=4 14864 B12R0.102 C=CCOC(=O)CSCC(O)CC 62a_100011218378_100000033060 [0,2,0,0,0,0|1,0,1]=4 14865 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CC 62a_100000033060_100009816398 [0,2,0,0,0,0|1,0,1]=4 14866 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000033060 [0,2,0,0,0,0|1,0,1]=4 14867 B12R0.102 CCC#CC(=O)CCCN(C)CC 1458a_100011827653_100015186262 [0,2,0,0,0,0|2,0,0]=4 14868 B12R0.102 CCC(C)CCNC(=O)CCOC 11a_100020591266_100000749529 [0,2,0,0,0,0|2,0,0]=4 14869 B12R0.102 CCC(C)CCNC(=O)CCOC 1626a_100020591266_100000749529 [0,2,0,0,0,0|2,0,0]=4 14870 B12R0.102 CCC(C)CCNC(=O)CCOC 240690a_100020591266_100000749529 [0,2,0,0,0,0|2,0,0]=4 14871 B12R0.102 CCC(C)CCNC(=O)CCOC 527a_100020591266_100000749529 [0,2,0,0,0,0|2,0,0]=4 14872 B12R0.102 CCC(C)CCNC(=O)CCSC 11a_100020591266_100000174002 [0,2,0,0,0,0|2,0,0]=4 14873 B12R0.102 CCC(C)CCNC(=O)CCSC 1626a_100020591266_100000174002 [0,2,0,0,0,0|2,0,0]=4 14874 B12R0.102 CCC(C)CCNC(=O)CCSC 240690a_100020591266_100000174002 [0,2,0,0,0,0|2,0,0]=4 14875 B12R0.102 CCC(C)CCNC(=O)CCSC 527a_100020591266_100000174002 [0,2,0,0,0,0|2,0,0]=4 14876 B12R0.102 CCC(C)CCNC(=O)NCCF 2708a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14877 B12R0.102 CCC(C)CCNC(=O)NCCF 273464a_100000724931_100020591266 [0,2,0,0,0,0|2,0,0]=4 14878 B12R0.102 CCC(C)CCNC(=O)NCCF 273464a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14879 B12R0.102 CCC(C)CCNC(=O)NCCF 512a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14880 B12R0.102 CCC(C)CCNC(=O)NCCO 2708a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14881 B12R0.102 CCC(C)CCNC(=O)NCCO 273464a_100000210304_100020591266 [0,2,0,0,0,0|2,0,0]=4 14882 B12R0.102 CCC(C)CCNC(=O)NCCO 273464a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14883 B12R0.102 CCC(C)CCNC(=O)NCCO 512a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14884 B12R0.102 CCC(C)CNCC(=O)NCCF 2230a_100000725713_100000748023 [0,2,0,0,0,0|2,0,0]=4 14885 B12R0.102 CCC(C)CNCC(=O)NCCF 270004a_100000725713_100000243153 [0,2,0,0,0,0|2,0,0]=4 14886 B12R0.102 CCC(O)CNCC(=O)NCCF 2230a_100000725713_100011218378 [0,2,0,0,0,0|2,0,0]=4 14887 B12R0.102 CCC=CC(=O)CCCN(C)CC 1458a_100000212282_100015186262 [0,2,0,0,0,0|2,0,0]=4 14888 B12R0.102 CCC=CC(=O)NCCC(C)CC 11a_100020591266_100000212282 [0,2,0,0,0,0|2,0,0]=4 14889 B12R0.102 CCC=CC(=O)NCCC(C)CC 1626a_100020591266_100000212282 [0,2,0,0,0,0|2,0,0]=4 14890 B12R0.102 CCC=CC(=O)NCCC(C)CC 240690a_100020591266_100000212282 [0,2,0,0,0,0|2,0,0]=4 14891 B12R0.102 CCCCC(=O)CCCN(C)CC 1458a_100000210183_100015186262 [0,2,0,0,0,0|2,0,0]=4 14892 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [0,2,0,0,0,0|2,0,0]=4 14893 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [0,2,0,0,0,0|2,0,0]=4 14894 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [0,2,0,0,0,0|2,0,0]=4 14895 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [0,2,0,0,0,0|2,0,0]=4 14896 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [0,2,0,0,0,0|1,0,1]=4 14897 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [0,2,0,0,0,0|1,0,1]=4 14898 B12R0.102 CCCNC(=O)CCCN(C)CC 2230a_100000225621_100011194427 [0,2,0,0,0,0|2,0,0]=4 14899 B12R0.102 CCCNC(=O)CCCN(C)CC 269982a_100000225621_100011194427 [0,2,0,0,0,0|2,0,0]=4 14900 B12R0.102 CCCNC(=O)CNCC(C)CC 2230a_100000174927_100000748023 [0,2,0,0,0,0|2,0,0]=4 14901 B12R0.102 CCCNC(=O)CNCC(C)CC 2230a_100020588543_100000183358 [0,2,0,0,0,0|2,0,0]=4 14902 B12R0.102 CCCNC(=O)CNCC(C)CC 270004a_100000174927_100000243153 [0,2,0,0,0,0|2,0,0]=4 14903 B12R0.102 CCCNC(=O)CNCC(O)CC 2230a_100000174927_100011218378 [0,2,0,0,0,0|2,0,0]=4 14904 B12R0.102 CCCNC(=O)CNCC(O)CC 2230a_100011218483_100000183358 [0,2,0,0,0,0|2,0,0]=4 14905 B12R0.102 CCCNC(=O)CNC[C@@H](C)CC 2230a_100000174927_100009816398 [0,2,0,0,0,0|2,0,0]=4 14906 B12R0.102 CCCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183358 [0,2,0,0,0,0|2,0,0]=4 14907 B12R0.102 CCCNC(=O)CSCC(C)CC 62a_100000183358_100000748023 [0,2,0,0,0,0|2,0,0]=4 14908 B12R0.102 CCCNC(=O)CSCC(C)CC 62a_100000748023_100000183358 [0,2,0,0,0,0|2,0,0]=4 14909 B12R0.102 CCCNC(=O)CSCC(O)CC 62a_100000183358_100011218378 [0,2,0,0,0,0|2,0,0]=4 14910 B12R0.102 CCCNC(=O)CSCC(O)CC 62a_100011218378_100000183358 [0,2,0,0,0,0|2,0,0]=4 14911 B12R0.102 CCCNC(=O)CSC[C@@H](C)CC 62a_100000183358_100009816398 [0,2,0,0,0,0|2,0,0]=4 14912 B12R0.102 CCCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183358 [0,2,0,0,0,0|2,0,0]=4 14913 B12R0.102 CCCNC(=O)NCCC(C)CC 2708a_100020591266_100020643023 [0,2,0,0,0,0|2,0,0]=4 14914 B12R0.102 CCCNC(=O)NCCC(C)CC 2708a_100020643023_100020591266 [0,2,0,0,0,0|2,0,0]=4 14915 B12R0.102 CCCNC(=O)NCCC(C)CC 273464a_100020591266_100020643023 [0,2,0,0,0,0|2,0,0]=4 14916 B12R0.102 CCCNC(=O)NCCC(C)CC 273464a_100020643023_100020591266 [0,2,0,0,0,0|2,0,0]=4 14917 B12R0.102 CCCNC(=O)NCCC(C)CC 512a_100020591266_100020643023 [0,2,0,0,0,0|2,0,0]=4 14918 B12R0.102 CCCNC(=O)NCCC(C)CC 512a_100020643023_100020591266 [0,2,0,0,0,0|2,0,0]=4 14919 B12R0.102 CCCOC(=O)CNCC(C)CC 2230a_100020588543_200011215008 [0,2,0,0,0,0|1,0,0]=3 14920 B12R0.102 CCCOC(=O)CNCC(C)CO 34a_100000744482_200011215008 [0,2,0,0,0,0|2,0,0]=4 14921 B12R0.102 CCCOC(=O)CNCC(O)CC 2230a_100011218483_200011215008 [0,2,0,0,0,0|1,0,0]=3 14922 B12R0.102 CCCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_200011215008 [0,2,0,0,0,0|2,0,0]=4 14923 B12R0.102 CCCOC(=O)CNC[C@@H](F)CO 34a_100015665980_200011215008 [0,2,0,0,0,0|2,0,0]=4 14924 B12R0.102 CCCOC(=O)CNC[C@H](O)CO 2230a_100020644852_200011215008 [0,2,0,0,0,0|2,0,0]=4 14925 B12R0.102 CCCOC(=O)COCC(=O)CC 34a_100000725409_200011215008 [0,2,0,0,0,0|1,0,1]=4 14926 B12R0.102 CCCOC(=O)COCC(C)CN 34a_100000744482_200011215008 [0,2,0,0,0,0|2,0,0]=4 14927 B12R0.102 CCCOC(=O)COCC(C)OC 34a_100000690652_200011215008 [0,2,0,0,0,0|2,0,0]=4 14928 B12R0.102 CCCOC(=O)COCC(Cl)CCl 34a_100000033668_200011215008 [0,2,0,0,0,0|2,0,0]=4 14929 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 7a_100009816381_200011215008 [0,2,0,0,0,0|1,0,0]=3 14930 B12R0.102 CCCOC(=O)COC[C@H](F)CN 34a_100015665980_200011215008 [0,2,0,0,0,0|2,0,0]=4 14931 B12R0.102 CCCOC(=O)CSCC(=O)CC 62a_100000747405_200011215008 [0,2,0,0,0,0|1,0,1]=4 14932 B12R0.102 CCCOC(=O)CSCC(=O)CC 62a_200011215008_100000747405 [0,2,0,0,0,0|1,0,1]=4 14933 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_100000748023_200011215008 [0,2,0,0,0,0|1,0,0]=3 14934 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_200011215008_100000748023 [0,2,0,0,0,0|1,0,0]=3 14935 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_100011218378_200011215008 [0,2,0,0,0,0|1,0,0]=3 14936 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_200011215008_100011218378 [0,2,0,0,0,0|1,0,0]=3 14937 B12R0.102 CCCOC(=O)CSCC(O)CO 62a_100011219619_200011215008 [0,2,0,0,0,0|2,0,0]=4 14938 B12R0.102 CCCOC(=O)CSCC(O)CO 62a_200011215008_100011219619 [0,2,0,0,0,0|2,0,0]=4 14939 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_200011215008 [0,2,0,0,0,0|1,0,0]=3 14940 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_200011215008_100009816398 [0,2,0,0,0,0|1,0,0]=3 14941 B12R0.102 CCCOC(=O)CSC[C@@H](C)CO 62a_100000059175_200011215008 [0,2,0,0,0,0|2,0,0]=4 14942 B12R0.102 CCCOC(=O)CSC[C@@H](C)CO 62a_200011215008_100000059175 [0,2,0,0,0,0|2,0,0]=4 14943 B12R0.102 CCCOC(=O)CSC[C@@H](O)CF 62a_100015614560_200011215008 [0,2,0,0,0,0|2,0,0]=4 14944 B12R0.102 CCCOC(=O)CSC[C@@H](O)CF 62a_200011215008_100015614560 [0,2,0,0,0,0|2,0,0]=4 14945 B12R0.102 CCCOC(=O)CSC[C@@H](O)CO 62a_100009815848_200011215008 [0,2,0,0,0,0|2,0,0]=4 14946 B12R0.102 CCCOC(=O)CSC[C@@H](O)CO 62a_200011215008_100009815848 [0,2,0,0,0,0|2,0,0]=4 14947 B12R0.102 CCCOC(=O)OCOC(C)CC 7a_100000210228_200000139673 [0,2,0,0,0,0|2,0,0]=4 14948 B12R0.102 CCCOC(=O)OCSC(C)CC 62a_100000758301_200000139673 [0,2,0,0,0,0|2,0,0]=4 14949 B12R0.102 CCN(C)CCCC(=O)CCOC 1458a_100000749529_100015186262 [0,2,0,0,0,0|2,0,0]=4 14950 B12R0.102 CCN(C)CCCC(=O)CCSC 1458a_100000174002_100015186262 [0,2,0,0,0,0|2,0,0]=4 14951 B12R0.102 CCNNC(=O)NCCC(C)CC 273464a_100020591266_100000756455 [0,2,0,0,0,0|2,0,0]=4 14952 B12R0.102 CCNNC(=O)NCCC(C)CC 512a_100000756455_100020591266 [0,2,0,0,0,0|2,0,0]=4 14953 B12R0.102 CCNNC(=O)NCCC(C)CC 512a_100020591266_100000756455 [0,2,0,0,0,0|2,0,0]=4 14954 B12R0.102 CCOCC(=O)CCCC(=O)NC 1458a_100000211967_100000741757 [0,2,0,0,0,0|1,0,1]=4 14955 B12R0.102 CCOCC(=O)CCCC(=O)OC 1458a_100000211967_100011218270 [0,2,0,0,0,0|1,0,1]=4 14956 B12R0.102 CCOCC(=O)CCCN(C)CC 1458a_100000211967_100015186262 [0,2,0,0,0,0|1,0,0]=3 14957 B12R0.102 CCOCC(=O)NCCC(C)CC 11a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 14958 B12R0.102 CCOCC(=O)NCCC(C)CC 1626a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 14959 B12R0.102 CCOCC(=O)NCCC(C)CC 240690a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 14960 B12R0.102 CCOCC(=O)NCCC(C)CC 527a_100020591266_100000211967 [0,2,0,0,0,0|1,0,0]=3 14961 B12R0.102 CCOCC(=O)NCCC(C)CO 240690a_106354213184_100000211967 [0,2,0,0,0,0|2,0,0]=4 14962 B12R0.102 CCOCC(=O)NCCC(C)CO 527a_106354213184_100000211967 [0,2,0,0,0,0|2,0,0]=4 14963 B12R0.102 CCOCC(=O)NNCC(O)CC 22a_100015206393_100000211967 [0,2,0,0,0,0|2,0,0]=4 14964 B12R0.102 CCSCC(=O)CCCN(C)CC 1458a_100000230394_100015186262 [0,2,0,0,0,0|1,1,0]=4 14965 B12R0.102 CCSCC(=O)NCCC(C)CC 11a_100020591266_100000230394 [0,2,0,0,0,0|1,1,0]=4 14966 B12R0.102 CCSCC(=O)NCCC(C)CC 1626a_100020591266_100000230394 [0,2,0,0,0,0|1,1,0]=4 14967 B12R0.102 CCSCC(=O)NCCC(C)CC 240690a_100020591266_100000230394 [0,2,0,0,0,0|1,1,0]=4 14968 B12R0.102 CCSCC(=O)NCCC(C)CC 527a_100020591266_100000230394 [0,2,0,0,0,0|1,1,0]=4 14969 B12R0.102 CC[C@H](C)CNCC(=O)NCCF 2230a_100000725713_100009816398 [0,2,0,0,0,0|2,0,0]=4 14970 B12R0.111 C=CC(CCCCCC)OCCC 34a_200011215977_100000210303 [0,2,0,0,0,0|1,0,1]=4 14971 B12R0.111 C=CC(CCCCCC)OCCC 7a_200011215977_100000210303 [0,2,0,0,0,0|1,0,1]=4 14972 B12R0.111 C=CC(CCCCCC)OCCF 34a_200011215977_100011217306 [0,2,0,0,0,0|1,0,1]=4 14973 B12R0.111 C=CC(CCCCCC)OCCF 7a_200011215977_100011217306 [0,2,0,0,0,0|1,0,1]=4 14974 B12R0.111 C=CC(CCCCCC)OCCO 34a_200011215977_100000211926 [0,2,0,0,0,0|1,0,1]=4 14975 B12R0.111 C=CC(CCCCCC)OCCO 7a_200011215977_100000211926 [0,2,0,0,0,0|1,0,1]=4 14976 B12R0.111 C=CC(CCCCCC)OCSC 34a_200011215977_100011218213 [0,2,0,0,0,0|1,0,1]=4 14977 B12R0.111 CCCCCCC(=NNCC)CC 4a_100000756455_100011219640 [0,2,0,0,0,0|2,0,0]=4 14978 B12R0.111 CCCCCCC(CC)OCCC 34a_100011215785_100000210303 [0,2,0,0,0,0|1,0,1]=4 14979 B12R0.111 CCCCCCC(CC)OCCC 7a_100011215785_100000210303 [0,2,0,0,0,0|1,0,1]=4 14980 B12R0.111 CCCCCCC(CC)OCCF 34a_100011215785_100011217306 [0,2,0,0,0,0|1,0,1]=4 14981 B12R0.111 CCCCCCC(CC)OCCF 7a_100011215785_100011217306 [0,2,0,0,0,0|1,0,1]=4 14982 B12R0.111 CCCCCCC(CC)OCCO 34a_100011215785_100000211926 [0,2,0,0,0,0|1,0,1]=4 14983 B12R0.111 CCCCCCC(CC)OCCO 7a_100011215785_100000211926 [0,2,0,0,0,0|1,0,1]=4 14984 B12R0.111 CCCCCCC(CC)OCSC 34a_100011215785_100011218213 [0,2,0,0,0,0|1,0,1]=4 14985 B12R0.255 C#CCCCCC(=O)COC(C)C 1458a_100000745533_100010269958 [0,2,0,0,0,0|0,0,2]=4 14986 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,2,0,0,0,0|1,0,0]=3 14987 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,2,0,0,0,0|1,0,0]=3 14988 B12R0.255 C=C(C)CCC(=O)CCCCCF 1458a_200000688413_100000729378 [0,2,0,0,0,0|2,0,0]=4 14989 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,2,0,0,0,0|2,0,0]=4 14990 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,2,0,0,0,0|2,0,0]=4 14991 B12R0.255 C=C(C)CCC(=O)CCCCOC 1458a_200000688413_100000755781 [0,2,0,0,0,0|2,0,0]=4 14992 B12R0.255 C=C(C)CCC(=O)CCCOCC 1458a_200000688413_100012232248 [0,2,0,0,0,0|2,0,0]=4 14993 B12R0.255 C=C(C)CCC(=O)CCOCCC 1458a_200000688413_100011215938 [0,2,0,0,0,0|2,0,0]=4 14994 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,2,0,0,0,0|2,0,0]=4 14995 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,2,0,0,0,0|2,0,0]=4 14996 B12R0.255 C=C(C)CCC(=O)CSCCCC 1458a_100000191162_100000730704 [0,2,0,0,0,0|2,0,0]=4 14997 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,2,0,0,0,0|2,0,0]=4 14998 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,2,0,0,0,0|2,0,0]=4 14999 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,2,0,0,0,0|2,0,0]=4 15000 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,2,0,0,0,0|2,0,0]=4 15001 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,2,0,0,0,0|1,0,0]=3 15002 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,2,0,0,0,0|1,0,0]=3 15003 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,2,0,0,0,0|1,0,0]=3 15004 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,2,0,0,0,0|1,0,0]=3 15005 B12R0.255 C=C(C)CNC(=O)CCCCCO 240690a_100000765925_100102619762 [0,2,0,0,0,0|2,0,0]=4 15006 B12R0.255 C=C(C)CNC(=O)COCCCC 11a_100000765925_100000757543 [0,2,0,0,0,0|2,0,0]=4 15007 B12R0.255 C=C(C)CNC(=O)COCCCC 1626a_100000765925_100000757543 [0,2,0,0,0,0|2,0,0]=4 15008 B12R0.255 C=C(C)CNC(=O)COCCCC 240690a_100000765925_100000757543 [0,2,0,0,0,0|2,0,0]=4 15009 B12R0.255 C=C(C)CNC(=O)COCCCC 527a_100000765925_100000757543 [0,2,0,0,0,0|2,0,0]=4 15010 B12R0.255 C=C(C)CNC(=O)CSCCCC 11a_100000765925_100000191162 [0,2,0,0,0,0|2,0,0]=4 15011 B12R0.255 C=C(C)CNC(=O)CSCCCC 1626a_100000765925_100000191162 [0,2,0,0,0,0|2,0,0]=4 15012 B12R0.255 C=C(C)CNC(=O)CSCCCC 240690a_100000765925_100000191162 [0,2,0,0,0,0|2,0,0]=4 15013 B12R0.255 C=C(C)CNC(=O)CSCCCC 527a_100000765925_100000191162 [0,2,0,0,0,0|2,0,0]=4 15014 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000209983_100000765925 [0,2,0,0,0,0|2,0,0]=4 15015 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000765925_100000209983 [0,2,0,0,0,0|2,0,0]=4 15016 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000209983_100000765925 [0,2,0,0,0,0|2,0,0]=4 15017 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000765925_100000209983 [0,2,0,0,0,0|2,0,0]=4 15018 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000209983_100000765925 [0,2,0,0,0,0|2,0,0]=4 15019 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000765925_100000209983 [0,2,0,0,0,0|2,0,0]=4 15020 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,2,0,0,0,0|1,0,1]=4 15021 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,2,0,0,0,0|1,0,1]=4 15022 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,2,0,0,0,0|1,0,1]=4 15023 B12R0.255 C=CCCCCC(=O)COC(C)C 1458a_100000745533_100011215482 [0,2,0,0,0,0|0,0,2]=4 15024 B12R0.255 CC(=O)OCC(=O)CCCCCF 1458a_100000183556_100000729378 [0,2,0,0,0,0|1,0,1]=4 15025 B12R0.255 CC(=O)OCC(=O)CCCCCO 1458a_100000183556_100000746330 [0,2,0,0,0,0|1,0,1]=4 15026 B12R0.255 CC(C)C=CC(=O)CCCCCF 1458a_100016268746_100000729378 [0,2,0,0,0,0|2,0,0]=4 15027 B12R0.255 CC(C)C=CC(=O)CCCCCO 1458a_100016268746_100000746330 [0,2,0,0,0,0|2,0,0]=4 15028 B12R0.255 CC(C)CCC(=O)CCCCCF 1458a_100000181311_100000729378 [0,2,0,0,0,0|2,0,0]=4 15029 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100000181311_100000746330 [0,2,0,0,0,0|2,0,0]=4 15030 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100102619762_100000210312 [0,2,0,0,0,0|2,0,0]=4 15031 B12R0.255 CC(C)CNC(=O)CCCCCO 240690a_100000210953_100102619762 [0,2,0,0,0,0|2,0,0]=4 15032 B12R0.255 CC(C)NNC(=O)CCCCCO 22a_100000741168_100102619762 [0,2,0,0,0,0|2,0,0]=4 15033 B12R0.255 CC(C)OCC(=O)CCCCC#N 1458a_100000745533_100000211819 [0,2,0,0,0,0|1,0,1]=4 15034 B12R0.255 CC(C)OCC(=O)CCCCCF 1458a_100000745533_100000729378 [0,2,0,0,0,0|1,0,0]=3 15035 B12R0.255 CC(C)OCC(=O)CCCCCO 1458a_100000745533_100000746330 [0,2,0,0,0,0|1,0,0]=3 15036 B12R0.255 CC(C)OCC(=O)CCOCCO 1458a_100000745533_100011215305 [0,2,0,0,0,0|2,0,0]=4 15037 B12R0.255 CC(C)OCC(=O)NCCCCO 240690a_100000750430_100000745533 [0,2,0,0,0,0|2,0,0]=4 15038 B12R0.255 CC(C)OCC(=O)NCCCCO 527a_100000750430_100000745533 [0,2,0,0,0,0|2,0,0]=4 15039 B12R0.255 CC(C)SCC(=O)CCCCCF 1458a_100000241585_100000729378 [0,2,0,0,0,0|1,1,0]=4 15040 B12R0.255 CC(C)SCC(=O)CCCCCO 1458a_100000241585_100000746330 [0,2,0,0,0,0|1,1,0]=4 15041 B12R0.255 CC(O)CCC(=O)CCCCCO 1458a_100102619762_100012276601 [0,2,0,0,0,0|2,0,0]=4 15042 B12R0.255 CC(O)CNC(=O)CCCCCO 240690a_100000210904_100102619762 [0,2,0,0,0,0|2,0,0]=4 15043 B12R0.255 CC/C=C\CCC(=O)COC(C)C 1458a_100000745533_100015370543 [0,2,0,0,0,0|0,0,2]=4 15044 B12R0.255 CCCCCCC(=NNC(C)C)C 4a_100000741168_100000210826 [0,2,0,0,0,0|2,0,0]=4 15045 B12R0.255 CCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210757 [0,2,0,0,0,0|1,0,0]=3 15046 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210757 [0,2,0,0,0,0|1,0,1]=4 15047 B12R0.255 CCCCCCC(=O)CC=C(C)C 1458a_100102632555_100000761012 [0,2,0,0,0,0|1,0,1]=4 15048 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,2,0,0,0,0|1,0,1]=4 15049 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,2,0,0,0,0|1,0,0]=3 15050 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,2,0,0,0,0|1,0,0]=3 15051 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,2,0,0,0,0|1,0,0]=3 15052 B12R0.255 CCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210757 [0,2,0,0,0,0|2,0,0]=4 15053 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,2,0,0,0,0|1,0,0]=3 15054 B12R0.255 CCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210757 [0,2,0,0,0,0|1,0,1]=4 15055 B12R0.255 CCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210757 [0,2,0,0,0,0|0,0,1]=3 15056 B12R0.255 CCCCCCC(=O)COC(C)C 1458a_100000745533_100000210757 [0,2,0,0,0,0|0,0,0]=2 15057 B12R0.255 CCCCCCC(=O)COC(F)F 1458a_200000719455_100000210757 [0,2,0,0,0,0|1,0,0]=3 15058 B12R0.255 CCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210757 [0,2,0,0,0,0|0,1,1]=4 15059 B12R0.255 CCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210757 [0,2,0,0,0,0|0,1,0]=3 15060 B12R0.255 CCCCCCC(=O)CSC(F)F 1458a_114828291038_100000210757 [0,2,0,0,0,0|1,1,0]=4 15061 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 15062 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 15063 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,2,0,0,0,0|1,0,1]=4 15064 B12R0.255 CCCCCCC(=O)NCC(C)C 11a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 15065 B12R0.255 CCCCCCC(=O)NCC(C)C 1626a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 15066 B12R0.255 CCCCCCC(=O)NCC(C)C 240690a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 15067 B12R0.255 CCCCCCC(=O)NCC(C)C 527a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 15068 B12R0.255 CCCCCCC(=O)NCC(C)O 11a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 15069 B12R0.255 CCCCCCC(=O)NCC(C)O 240690a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 15070 B12R0.255 CCCCCCC(=O)NCC(C)O 527a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 15071 B12R0.255 CCCCCCC(=O)NCC(F)F 11a_100000765723_100102632555 [0,2,0,0,0,0|1,0,0]=3 15072 B12R0.255 CCCCCCC(=O)NCC(F)F 1626a_100000765723_100102632555 [0,2,0,0,0,0|1,0,0]=3 15073 B12R0.255 CCCCCCC(=O)NCC(F)F 240690a_100000765723_100102632555 [0,2,0,0,0,0|1,0,0]=3 15074 B12R0.255 CCCCCCC(=O)NCC(F)F 527a_100000765723_100102632555 [0,2,0,0,0,0|1,0,0]=3 15075 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100000189765_100102632555 [0,2,0,0,0,0|1,0,1]=4 15076 B12R0.255 CCCCCCC(=O)NNC(=O)C 22a_100011221127_100000070787 [0,2,0,0,0,0|1,0,1]=4 15077 B12R0.255 CCCCCCC(=O)NNC(C)C 22a_100000741168_100102632555 [0,2,0,0,0,0|1,0,0]=3 15078 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [0,2,0,0,0,0|1,0,1]=4 15079 B12R0.255 CCCCCCC(C)OCC(C)Br 34a_100012180447_100011215978 [0,2,0,0,0,0|1,0,1]=4 15080 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210257_100011215978 [0,2,0,0,0,0|1,0,1]=4 15081 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210265_100000210624 [0,2,0,0,0,0|1,0,1]=4 15082 B12R0.255 CCCCCCC(C)OCC(C)C 7a_100000210265_100000210760 [0,2,0,0,0,0|1,0,1]=4 15083 B12R0.255 CCCCCCC(C)OCC(C)F 34a_100015925927_100011215978 [0,2,0,0,0,0|1,0,1]=4 15084 B12R0.255 CCCCCCC(C)OCC(C)O 34a_100000210265_100011218427 [0,2,0,0,0,0|1,0,1]=4 15085 B12R0.255 CCCCCCC(C)OCC(C)O 7a_100000210265_100011218427 [0,2,0,0,0,0|1,0,1]=4 15086 B12R0.255 CCCCCCC(C)OCC(F)F 34a_100000210265_100011934356 [0,2,0,0,0,0|1,0,1]=4 15087 B12R0.255 CCCCCCC(C)OCC(F)F 34a_100000743014_100011215978 [0,2,0,0,0,0|1,0,1]=4 15088 B12R0.255 CCCCCCC(C)OCC(F)F 7a_100000210265_100011934356 [0,2,0,0,0,0|1,0,1]=4 15089 B12R0.255 CCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215978 [0,2,0,0,0,0|1,0,1]=4 15090 B12R0.255 CCCCCCC(C)OC[C@@H](C)N 34a_100000737577_100011215978 [0,2,0,0,0,0|1,0,1]=4 15091 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 34a_100000210265_100009817552 [0,2,0,0,0,0|1,0,1]=4 15092 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 7a_100000210265_100009817552 [0,2,0,0,0,0|1,0,1]=4 15093 B12R0.255 CCCCCCN(C)COC(C)C 2230a_106256046315_100000709892 [0,2,0,0,0,0|2,0,0]=4 15094 B12R0.255 CCCCCCN(C)COC(C)C 269982a_106256046315_100000709892 [0,2,0,0,0,0|2,0,0]=4 15095 B12R0.255 CCCCCNC(=O)C=CC(C)C 11a_100000209983_100016268746 [0,2,0,0,0,0|2,0,0]=4 15096 B12R0.255 CCCCCNC(=O)C=CC(C)C 1626a_100000209983_100016268746 [0,2,0,0,0,0|2,0,0]=4 15097 B12R0.255 CCCCCNC(=O)C=CC(C)C 240690a_100000209983_100016268746 [0,2,0,0,0,0|2,0,0]=4 15098 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [0,2,0,0,0,0|2,0,0]=4 15099 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [0,2,0,0,0,0|2,0,0]=4 15100 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [0,2,0,0,0,0|2,0,0]=4 15101 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [0,2,0,0,0,0|2,0,0]=4 15102 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,2,0,0,0,0|2,0,0]=4 15103 B12R0.255 CCCCCNC(=O)CCN(C)C 11a_100000209983_100000689311 [0,2,0,0,0,0|2,0,0]=4 15104 B12R0.255 CCCCCNC(=O)CCN(C)C 240690a_100000209983_100000689311 [0,2,0,0,0,0|2,0,0]=4 15105 B12R0.255 CCCCCNC(=O)CCN(C)C 527a_100000209983_100000689311 [0,2,0,0,0,0|2,0,0]=4 15106 B12R0.255 CCCCCNC(=O)CC[S+](C)C 11a_100000209983_100009452791 [0,2,0,0,0,0|2,0,0]=4 15107 B12R0.255 CCCCCNC(=O)CC[S+](C)C 1626a_100000209983_100009452791 [0,2,0,0,0,0|2,0,0]=4 15108 B12R0.255 CCCCCNC(=O)CC[S+](C)C 240690a_100000209983_100009452791 [0,2,0,0,0,0|2,0,0]=4 15109 B12R0.255 CCCCCNC(=O)CNC(C)C 2230a_100138425928_100000230301 [0,2,0,0,0,0|2,0,0]=4 15110 B12R0.255 CCCCCNC(=O)CNC(C)C 34a_100138425928_100000230301 [0,2,0,0,0,0|2,0,0]=4 15111 B12R0.255 CCCCCNC(=O)COC(=O)C 1626a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 15112 B12R0.255 CCCCCNC(=O)COC(=O)C 240690a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 15113 B12R0.255 CCCCCNC(=O)COC(=O)C 527a_100000209983_100000183556 [0,2,0,0,0,0|1,0,1]=4 15114 B12R0.255 CCCCCNC(=O)COC(C)C 11a_100000209983_100000745533 [0,2,0,0,0,0|1,0,0]=3 15115 B12R0.255 CCCCCNC(=O)COC(C)C 1626a_100000209983_100000745533 [0,2,0,0,0,0|1,0,0]=3 15116 B12R0.255 CCCCCNC(=O)COC(C)C 240690a_100000209983_100000745533 [0,2,0,0,0,0|1,0,0]=3 15117 B12R0.255 CCCCCNC(=O)COC(C)C 34a_100000212225_100000230301 [0,2,0,0,0,0|1,0,0]=3 15118 B12R0.255 CCCCCNC(=O)COC(C)C 527a_100000209983_100000745533 [0,2,0,0,0,0|1,0,0]=3 15119 B12R0.255 CCCCCNC(=O)COC(F)F 11a_100000209983_200000719455 [0,2,0,0,0,0|2,0,0]=4 15120 B12R0.255 CCCCCNC(=O)COC(F)F 1626a_100000209983_200000719455 [0,2,0,0,0,0|2,0,0]=4 15121 B12R0.255 CCCCCNC(=O)COC(F)F 240690a_100000209983_200000719455 [0,2,0,0,0,0|2,0,0]=4 15122 B12R0.255 CCCCCNC(=O)COC(F)F 527a_100000209983_200000719455 [0,2,0,0,0,0|2,0,0]=4 15123 B12R0.255 CCCCCNC(=O)CSC(C)C 11a_100000209983_100000241585 [0,2,0,0,0,0|1,1,0]=4 15124 B12R0.255 CCCCCNC(=O)CSC(C)C 1626a_100000209983_100000241585 [0,2,0,0,0,0|1,1,0]=4 15125 B12R0.255 CCCCCNC(=O)CSC(C)C 240690a_100000209983_100000241585 [0,2,0,0,0,0|1,1,0]=4 15126 B12R0.255 CCCCCNC(=O)CSC(C)C 527a_100000209983_100000241585 [0,2,0,0,0,0|1,1,0]=4 15127 B12R0.255 CCCCCNC(=O)CSC(C)C 62a_100000210206_100000230301 [0,2,0,0,0,0|1,1,0]=4 15128 B12R0.255 CCCCCNC(=O)CSC(C)C 62a_100000230301_100000210206 [0,2,0,0,0,0|1,1,0]=4 15129 B12R0.255 CCCCCNC(=O)NCC(C)C 2708a_100000209983_100000210953 [0,2,0,0,0,0|2,0,0]=4 15130 B12R0.255 CCCCCNC(=O)NCC(C)C 2708a_100000210953_100000209983 [0,2,0,0,0,0|2,0,0]=4 15131 B12R0.255 CCCCCNC(=O)NCC(C)C 273464a_100000209983_100000210953 [0,2,0,0,0,0|2,0,0]=4 15132 B12R0.255 CCCCCNC(=O)NCC(C)C 273464a_100000210953_100000209983 [0,2,0,0,0,0|2,0,0]=4 15133 B12R0.255 CCCCCNC(=O)NCC(C)C 512a_100000209983_100000210953 [0,2,0,0,0,0|2,0,0]=4 15134 B12R0.255 CCCCCNC(=O)NCC(C)C 512a_100000210953_100000209983 [0,2,0,0,0,0|2,0,0]=4 15135 B12R0.255 CCCCCNC(=O)NCC(C)O 2708a_100000209983_100000210904 [0,2,0,0,0,0|2,0,0]=4 15136 B12R0.255 CCCCCNC(=O)NCC(C)O 273464a_100000209983_100000210904 [0,2,0,0,0,0|2,0,0]=4 15137 B12R0.255 CCCCCNC(=O)NCC(C)O 273464a_100000210904_100000209983 [0,2,0,0,0,0|2,0,0]=4 15138 B12R0.255 CCCCCNC(=O)NCC(C)O 512a_100000209983_100000210904 [0,2,0,0,0,0|2,0,0]=4 15139 B12R0.255 CCCCCNC(=O)NCC(C)O 512a_100000210904_100000209983 [0,2,0,0,0,0|2,0,0]=4 15140 B12R0.255 CCCCCNC(=O)NCC(F)F 2708a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 15141 B12R0.255 CCCCCNC(=O)NCC(F)F 273464a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 15142 B12R0.255 CCCCCNC(=O)NCC(F)F 273464a_100000765723_100000209983 [0,2,0,0,0,0|2,0,0]=4 15143 B12R0.255 CCCCCNC(=O)NCC(F)F 512a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 15144 B12R0.255 CCCCCNC(=O)NCC(F)F 512a_100000765723_100000209983 [0,2,0,0,0,0|2,0,0]=4 15145 B12R0.255 CCCCCNC(=O)NNC(C)C 273464a_100000209983_100000741168 [0,2,0,0,0,0|2,0,0]=4 15146 B12R0.255 CCCCCNC(=O)NNC(C)C 512a_100000209983_100000741168 [0,2,0,0,0,0|2,0,0]=4 15147 B12R0.255 CCCCCNC(=O)NNC(C)C 512a_100000741168_100000209983 [0,2,0,0,0,0|2,0,0]=4 15148 B12R0.255 CCCCNCC(=O)NCC(C)C 2230a_100000102301_100000183291 [0,2,0,0,0,0|2,0,0]=4 15149 B12R0.255 CCCCNCC(=O)NCC(C)C 7a_106832991798_100000183291 [0,2,0,0,0,0|2,0,0]=4 15150 B12R0.255 CCCCNNC(=O)COC(C)C 22a_100025702795_100000745533 [0,2,0,0,0,0|2,0,0]=4 15151 B12R0.255 CCCCOCC(=O)C=CC(C)C 1458a_100016268746_100011995733 [0,2,0,0,0,0|2,0,0]=4 15152 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000181311_100011995733 [0,2,0,0,0,0|2,0,0]=4 15153 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000757543_100000210312 [0,2,0,0,0,0|2,0,0]=4 15154 B12R0.255 CCCCOCC(=O)CCC(C)O 1458a_100000757543_100012276601 [0,2,0,0,0,0|2,0,0]=4 15155 B12R0.255 CCCCOCC(=O)CC[S+](C)C 1458a_100009452791_100011995733 [0,2,0,0,0,0|2,0,0]=4 15156 B12R0.255 CCCCOCC(=O)COC(=O)C 1458a_100000183556_100011995733 [0,2,0,0,0,0|1,0,1]=4 15157 B12R0.255 CCCCOCC(=O)COC(=O)C 34a_100000210227_100000036994 [0,2,0,0,0,0|1,0,1]=4 15158 B12R0.255 CCCCOCC(=O)COC(C)C 1458a_100000745533_100011995733 [0,2,0,0,0,0|1,0,0]=3 15159 B12R0.255 CCCCOCC(=O)COC(F)F 1458a_200000719455_100011995733 [0,2,0,0,0,0|2,0,0]=4 15160 B12R0.255 CCCCOCC(=O)CSC(C)C 1458a_100000241585_100011995733 [0,2,0,0,0,0|1,1,0]=4 15161 B12R0.255 CCCCOCC(=O)NCC(C)C 11a_100000210953_100000757543 [0,2,0,0,0,0|2,0,0]=4 15162 B12R0.255 CCCCOCC(=O)NCC(C)C 1626a_100000210953_100000757543 [0,2,0,0,0,0|2,0,0]=4 15163 B12R0.255 CCCCOCC(=O)NCC(C)C 240690a_100000210953_100000757543 [0,2,0,0,0,0|2,0,0]=4 15164 B12R0.255 CCCCOCC(=O)NCC(C)C 34a_100000210227_100000183291 [0,2,0,0,0,0|2,0,0]=4 15165 B12R0.255 CCCCOCC(=O)NCC(C)C 527a_100000210953_100000757543 [0,2,0,0,0,0|2,0,0]=4 15166 B12R0.255 CCCCOCC(=O)NCC(C)C 7a_100000210227_100000183291 [0,2,0,0,0,0|2,0,0]=4 15167 B12R0.255 CCCCOCC(=O)NCC(C)O 11a_100000210904_100000757543 [0,2,0,0,0,0|2,0,0]=4 15168 B12R0.255 CCCCOCC(=O)NCC(C)O 240690a_100000210904_100000757543 [0,2,0,0,0,0|2,0,0]=4 15169 B12R0.255 CCCCOCC(=O)NCC(C)O 527a_100000210904_100000757543 [0,2,0,0,0,0|2,0,0]=4 15170 B12R0.255 CCCCOCC(=O)NCC(F)F 11a_100000765723_100000757543 [0,2,0,0,0,0|2,0,0]=4 15171 B12R0.255 CCCCOCC(=O)NCC(F)F 1626a_100000765723_100000757543 [0,2,0,0,0,0|2,0,0]=4 15172 B12R0.255 CCCCOCC(=O)NCC(F)F 240690a_100000765723_100000757543 [0,2,0,0,0,0|2,0,0]=4 15173 B12R0.255 CCCCOCC(=O)NCC(F)F 527a_100000765723_100000757543 [0,2,0,0,0,0|2,0,0]=4 15174 B12R0.255 CCCCOCC(=O)NNC(C)C 22a_100000741168_100000757543 [0,2,0,0,0,0|2,0,0]=4 15175 B12R0.255 CCCCSCC(=O)CCC(C)C 1458a_100000191162_100000210312 [0,2,0,0,0,0|2,0,0]=4 15176 B12R0.255 CCCCSCC(=O)CCC(C)O 1458a_100000191162_100012276601 [0,2,0,0,0,0|2,0,0]=4 15177 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000036994_100000210210 [0,2,0,0,0,0|1,0,1]=4 15178 B12R0.255 CCCCSCC(=O)COC(=O)C 62a_100000210211_100000036994 [0,2,0,0,0,0|1,0,1]=4 15179 B12R0.255 CCCCSCC(=O)NCC(C)C 11a_100000210953_100000191162 [0,2,0,0,0,0|2,0,0]=4 15180 B12R0.255 CCCCSCC(=O)NCC(C)C 1626a_100000210953_100000191162 [0,2,0,0,0,0|2,0,0]=4 15181 B12R0.255 CCCCSCC(=O)NCC(C)C 240690a_100000210953_100000191162 [0,2,0,0,0,0|2,0,0]=4 15182 B12R0.255 CCCCSCC(=O)NCC(C)C 527a_100000210953_100000191162 [0,2,0,0,0,0|2,0,0]=4 15183 B12R0.255 CCCCSCC(=O)NCC(C)C 62a_100000183291_100000210210 [0,2,0,0,0,0|2,0,0]=4 15184 B12R0.255 CCCCSCC(=O)NCC(C)C 62a_100000210211_100000183291 [0,2,0,0,0,0|2,0,0]=4 15185 B12R0.255 CCCCSCC(=O)NCC(C)O 11a_100000210904_100000191162 [0,2,0,0,0,0|2,0,0]=4 15186 B12R0.255 CCCCSCC(=O)NCC(C)O 240690a_100000210904_100000191162 [0,2,0,0,0,0|2,0,0]=4 15187 B12R0.255 CCCCSCC(=O)NCC(C)O 527a_100000210904_100000191162 [0,2,0,0,0,0|2,0,0]=4 15188 B12R0.255 CCCCSCC(=O)NCC(F)F 11a_100000765723_100000191162 [0,2,0,0,0,0|2,0,0]=4 15189 B12R0.255 CCCCSCC(=O)NCC(F)F 1626a_100000765723_100000191162 [0,2,0,0,0,0|2,0,0]=4 15190 B12R0.255 CCCCSCC(=O)NCC(F)F 240690a_100000765723_100000191162 [0,2,0,0,0,0|2,0,0]=4 15191 B12R0.255 CCCCSCC(=O)NCC(F)F 527a_100000765723_100000191162 [0,2,0,0,0,0|2,0,0]=4 15192 B12R0.255 CCCCSCC(=O)NNC(C)C 22a_100000741168_100000191162 [0,2,0,0,0,0|2,0,0]=4 15193 B12R0.255 CCCOCCC(=O)C=CC(C)C 1458a_100016268746_100011215938 [0,2,0,0,0,0|2,0,0]=4 15194 B12R0.255 CCCOCCC(=O)CCC(C)C 1458a_100000181311_100011215938 [0,2,0,0,0,0|2,0,0]=4 15195 B12R0.255 CCCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215938 [0,2,0,0,0,0|2,0,0]=4 15196 B12R0.255 CCCOCCC(=O)COC(=O)C 1458a_100000183556_100011215938 [0,2,0,0,0,0|1,0,1]=4 15197 B12R0.255 CCCOCCC(=O)COC(C)C 1458a_100000745533_100011215938 [0,2,0,0,0,0|1,0,0]=3 15198 B12R0.255 CCCOCCC(=O)COC(F)F 1458a_200000719455_100011215938 [0,2,0,0,0,0|2,0,0]=4 15199 B12R0.255 CCCOCCC(=O)CSC(C)C 1458a_100000241585_100011215938 [0,2,0,0,0,0|1,1,0]=4 15200 B12R0.255 CCNCCCC(=O)NCC(C)C 2230a_100015525214_100011194448 [0,2,0,0,0,0|2,0,0]=4 15201 B12R0.255 CCOCCCC(=O)C=CC(C)C 1458a_100016268746_100012232248 [0,2,0,0,0,0|2,0,0]=4 15202 B12R0.255 CCOCCCC(=O)CCC(C)C 1458a_100000181311_100012232248 [0,2,0,0,0,0|2,0,0]=4 15203 B12R0.255 CCOCCCC(=O)CC[S+](C)C 1458a_100009452791_100012232248 [0,2,0,0,0,0|2,0,0]=4 15204 B12R0.255 CCOCCCC(=O)COC(=O)C 1458a_100000183556_100012232248 [0,2,0,0,0,0|1,0,1]=4 15205 B12R0.255 CCOCCCC(=O)COC(C)C 1458a_100000745533_100012232248 [0,2,0,0,0,0|1,0,0]=3 15206 B12R0.255 CCOCCCC(=O)COC(F)F 1458a_200000719455_100012232248 [0,2,0,0,0,0|2,0,0]=4 15207 B12R0.255 CCOCCCC(=O)CSC(C)C 1458a_100000241585_100012232248 [0,2,0,0,0,0|1,1,0]=4 15208 B12R0.255 CCOCCCC(=O)NCC(C)C 34a_100121572206_100011194448 [0,2,0,0,0,0|2,0,0]=4 15209 B12R0.255 CCOCCNC(=O)COC(C)C 11a_100011200944_100000745533 [0,2,0,0,0,0|2,0,0]=4 15210 B12R0.255 CCOCCNC(=O)COC(C)C 1626a_102516460346_100000745533 [0,2,0,0,0,0|2,0,0]=4 15211 B12R0.255 CCOCCNC(=O)COC(C)C 240690a_100011200944_100000745533 [0,2,0,0,0,0|2,0,0]=4 15212 B12R0.255 CCOCCNC(=O)COC(C)C 527a_100011200944_100000745533 [0,2,0,0,0,0|2,0,0]=4 15213 B12R0.255 CCOCCOC(=O)COC(C)C 34a_100000212225_200000101388 [0,2,0,0,0,0|2,0,0]=4 15214 B12R0.255 CCSCCCC(=O)NCC(C)C 62a_100000210202_100011194448 [0,2,0,0,0,0|2,0,0]=4 15215 B12R0.255 CCSCCCC(=O)NCC(C)C 62a_100011194448_100000210202 [0,2,0,0,0,0|2,0,0]=4 15216 B12R0.255 CCSCCNC(=O)COC(C)C 11a_100000106463_100000745533 [0,2,0,0,0,0|2,0,0]=4 15217 B12R0.255 CCSCCNC(=O)COC(C)C 1626a_100000106463_100000745533 [0,2,0,0,0,0|2,0,0]=4 15218 B12R0.255 CCSCCNC(=O)COC(C)C 240690a_100000106463_100000745533 [0,2,0,0,0,0|2,0,0]=4 15219 B12R0.255 CCSCCNC(=O)COC(C)C 527a_100000106463_100000745533 [0,2,0,0,0,0|2,0,0]=4 15220 B12R0.255 COCCCCC(=O)C=CC(C)C 1458a_100016268746_100000755781 [0,2,0,0,0,0|2,0,0]=4 15221 B12R0.255 COCCCCC(=O)CCC(C)C 1458a_100000181311_100000755781 [0,2,0,0,0,0|2,0,0]=4 15222 B12R0.255 COCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000755781 [0,2,0,0,0,0|2,0,0]=4 15223 B12R0.255 COCCCCC(=O)COC(=O)C 1458a_100000183556_100000755781 [0,2,0,0,0,0|1,0,1]=4 15224 B12R0.255 COCCCCC(=O)COC(C)C 1458a_100000745533_100000755781 [0,2,0,0,0,0|1,0,0]=3 15225 B12R0.255 COCCCCC(=O)COC(F)F 1458a_200000719455_100000755781 [0,2,0,0,0,0|2,0,0]=4 15226 B12R0.255 COCCCCC(=O)CSC(C)C 1458a_100000241585_100000755781 [0,2,0,0,0,0|1,1,0]=4 15227 B12R0.255 COCCCNC(=O)COC(C)C 1626a_100150723488_100000745533 [0,2,0,0,0,0|2,0,0]=4 15228 B12R0.255 COCCCNC(=O)COC(C)C 240690a_100150723488_100000745533 [0,2,0,0,0,0|2,0,0]=4 15229 B12R0.255 COCCCNC(=O)COC(C)C 34a_100000212225_100000183178 [0,2,0,0,0,0|2,0,0]=4 15230 B12R0.255 COCCCNC(=O)COC(C)C 527a_100150723488_100000745533 [0,2,0,0,0,0|2,0,0]=4 15231 B12R0.255 CSCCCNC(=O)COC(C)C 11a_100000749238_100000745533 [0,2,0,0,0,0|2,0,0]=4 15232 B12R0.255 CSCCCNC(=O)COC(C)C 1626a_100000749238_100000745533 [0,2,0,0,0,0|2,0,0]=4 15233 B12R0.255 CSCCCNC(=O)COC(C)C 240690a_100000749238_100000745533 [0,2,0,0,0,0|2,0,0]=4 15234 B12R0.255 CSCCCNC(=O)COC(C)C 527a_100000749238_100000745533 [0,2,0,0,0,0|2,0,0]=4 15235 B12R0.255 C[S+](C)CCC(=O)CCCCCF 1458a_100009452791_100000729378 [0,2,0,0,0,0|2,0,0]=4 15236 B12R0.255 C[S+](C)CCC(=O)CCCCCO 1458a_100009452791_100000746330 [0,2,0,0,0,0|2,0,0]=4 15237 B12R0.255 O=C(CCCCCF)COC(F)F 1458a_200000719455_100000729378 [0,2,0,0,0,0|2,0,0]=4 15238 B12R0.255 O=C(CCCCCO)COC(F)F 1458a_200000719455_100000746330 [0,2,0,0,0,0|2,0,0]=4 15239 B12R0.255 O=C(CCCCCO)NCC(F)F 240690a_100000765723_100102619762 [0,2,0,0,0,0|2,0,0]=4 15240 B12R0.585 CCCCCCC(C)(C)OCCC 7a_200011995690_100000210303 [0,2,0,0,0,0|1,0,1]=4 15241 B12R0.585 CCCCCCC(C)(C)OCCF 7a_200011995690_100011217306 [0,2,0,0,0,0|1,0,1]=4 15242 B12R0.585 CCCCCCC(C)(C)OCCO 7a_200011995690_100000211926 [0,2,0,0,0,0|1,0,1]=4 15243 B12R0.585 CCCCCCS(=O)(=O)NCCC 270084a_100020643023_100011361803 [0,2,0,0,0,0|2,0,0]=4 15244 B12R0.585 CCCCCCS(=O)(=O)NCCC 274078a_100020643023_100011361803 [0,2,0,0,0,0|2,0,0]=4 15245 B12R0.585 CCCCCCS(=O)(=O)NCCF 270084a_100000724931_100011361803 [0,2,0,0,0,0|2,0,0]=4 15246 B12R0.585 CCCCCCS(=O)(=O)NCCF 274078a_100000724931_100011361803 [0,2,0,0,0,0|2,0,0]=4 15247 B12R0.585 CCCCCCS(=O)(=O)NCCO 270084a_100000210304_100011361803 [0,2,0,0,0,0|2,0,0]=4 15248 B12R0.585 CCCCCCS(=O)(=O)NCCO 274078a_100000210304_100011361803 [0,2,0,0,0,0|2,0,0]=4 15249 B12R0.648 C#CCCC(=O)C(C)CCCCC 1458a_100000692101_200011218191 [0,2,0,0,0,0|1,0,1]=4 15250 B12R0.648 C#CCCC(=O)C(C)CCCCC 1458a_100011215998_100000753159 [0,2,0,0,0,0|1,0,1]=4 15251 B12R0.648 C#CCNC(=O)C(C)CCCCC 11a_100000212058_100011215998 [0,2,0,0,0,0|1,0,1]=4 15252 B12R0.648 C#CCNC(=O)C(C)CCCCC 1626a_100000212058_100011215998 [0,2,0,0,0,0|1,0,1]=4 15253 B12R0.648 C#CCNC(=O)C(C)CCCCC 240690a_100000212058_100011215998 [0,2,0,0,0,0|1,0,1]=4 15254 B12R0.648 C#CCNC(=O)C(C)CCCCC 527a_100000212058_100011215998 [0,2,0,0,0,0|1,0,1]=4 15255 B12R0.648 C/C=C/CC(=O)C(C)CCCCC 1458a_100011215998_100102629194 [0,2,0,0,0,0|1,0,1]=4 15256 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100000749702_200011218191 [0,2,0,0,0,0|1,0,1]=4 15257 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100011215998_100000754431 [0,2,0,0,0,0|1,0,1]=4 15258 B12R0.648 C=CCNC(=O)C(C)CCCCC 1626a_100020586998_100011215998 [0,2,0,0,0,0|1,0,1]=4 15259 B12R0.648 C=CCNC(=O)C(C)CCCCC 240690a_100020586998_100011215998 [0,2,0,0,0,0|1,0,1]=4 15260 B12R0.648 C=CCNC(=O)C(C)CCCCC 527a_100020586998_100011215998 [0,2,0,0,0,0|1,0,1]=4 15261 B12R0.648 CC#CCC(=O)C(C)CCCCC 1458a_100011215998_100000748600 [0,2,0,0,0,0|1,0,1]=4 15262 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100011215998_100000070051 [0,2,0,0,0,0|1,0,1]=4 15263 B12R0.648 CC=CCC(=O)C(C)CCCCC 1458a_100121576822_200011218191 [0,2,0,0,0,0|1,0,1]=4 15264 B12R0.648 CCC#CC(=O)C(C)CCCCC 1458a_100011827653_200011218191 [0,2,0,0,0,0|1,0,0]=3 15265 B12R0.648 CCC=CC(=O)C(C)CCCCC 1458a_100000212282_200011218191 [0,2,0,0,0,0|1,0,0]=3 15266 B12R0.648 CCC=CC(=O)N(C)CCCCC 11a_100000223495_100000212282 [0,2,0,0,0,0|2,0,0]=4 15267 B12R0.648 CCC=CC(=O)N(C)CCCCC 1626a_100000223495_100000212282 [0,2,0,0,0,0|2,0,0]=4 15268 B12R0.648 CCC=CC(=O)N(C)CCCCC 240690a_100000223495_100000212282 [0,2,0,0,0,0|2,0,0]=4 15269 B12R0.648 CCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210326 [0,2,0,0,0,0|1,0,1]=4 15270 B12R0.648 CCCCCC(C)C(=O)C#CCO 1458a_100000049017_200011218191 [0,2,0,0,0,0|1,0,1]=4 15271 B12R0.648 CCCCCC(C)C(=O)C=COC 1458a_100016268678_200011218191 [0,2,0,0,0,0|1,0,1]=4 15272 B12R0.648 CCCCCC(C)C(=O)CCC#N 1458a_100011215998_100011215226 [0,2,0,0,0,0|1,0,1]=4 15273 B12R0.648 CCCCCC(C)C(=O)CCC#N 1458a_100011934036_200011218191 [0,2,0,0,0,0|1,0,1]=4 15274 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [0,2,0,0,0,0|1,0,0]=3 15275 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [0,2,0,0,0,0|1,0,0]=3 15276 B12R0.648 CCCCCC(C)C(=O)CCCF 1458a_100011215998_100011934791 [0,2,0,0,0,0|1,0,0]=3 15277 B12R0.648 CCCCCC(C)C(=O)CCCO 1458a_100011215998_100011215043 [0,2,0,0,0,0|1,0,0]=3 15278 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100000749529_200011218191 [0,2,0,0,0,0|1,0,0]=3 15279 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100011215998_100000233755 [0,2,0,0,0,0|1,0,0]=3 15280 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100000174002_200011218191 [0,2,0,0,0,0|1,0,0]=3 15281 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100011215998_100000751147 [0,2,0,0,0,0|1,0,0]=3 15282 B12R0.648 CCCCCC(C)C(=O)COCC 1458a_100000211967_200011218191 [0,2,0,0,0,0|0,0,0]=2 15283 B12R0.648 CCCCCC(C)C(=O)CSCC 1458a_100000230394_200011218191 [0,2,0,0,0,0|0,1,0]=3 15284 B12R0.648 CCCCCC(C)C(=O)NCC#N 1626a_100000734998_100011215998 [0,2,0,0,0,0|1,0,1]=4 15285 B12R0.648 CCCCCC(C)C(=O)NCC#N 527a_100000734998_100011215998 [0,2,0,0,0,0|1,0,1]=4 15286 B12R0.648 CCCCCC(C)C(=O)NCCC 11a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 15287 B12R0.648 CCCCCC(C)C(=O)NCCC 1626a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 15288 B12R0.648 CCCCCC(C)C(=O)NCCC 240690a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 15289 B12R0.648 CCCCCC(C)C(=O)NCCC 527a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 15290 B12R0.648 CCCCCC(C)C(=O)NCCF 11a_100000724931_100011215998 [0,2,0,0,0,0|1,0,0]=3 15291 B12R0.648 CCCCCC(C)C(=O)NCCF 1626a_100000724931_100011215998 [0,2,0,0,0,0|1,0,0]=3 15292 B12R0.648 CCCCCC(C)C(=O)NCCF 240690a_100000724931_100011215998 [0,2,0,0,0,0|1,0,0]=3 15293 B12R0.648 CCCCCC(C)C(=O)NCCF 527a_100000724931_100011215998 [0,2,0,0,0,0|1,0,0]=3 15294 B12R0.648 CCCCCC(C)C(=O)NCCO 240690a_100000210304_100011215998 [0,2,0,0,0,0|1,0,0]=3 15295 B12R0.648 CCCCCC(C)C(=O)NCCO 527a_100000210304_100011215998 [0,2,0,0,0,0|1,0,0]=3 15296 B12R0.648 CCCCCC(C)C(=O)NNCC 22a_100000756455_100011215998 [0,2,0,0,0,0|1,0,0]=3 15297 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [0,2,0,0,0,0|2,0,0]=4 15298 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [0,2,0,0,0,0|2,0,0]=4 15299 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [0,2,0,0,0,0|2,0,0]=4 15300 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [0,2,0,0,0,0|2,0,0]=4 15301 B12R0.648 CCCCCN(C)C(=O)CCOC 11a_100000223495_100000749529 [0,2,0,0,0,0|2,0,0]=4 15302 B12R0.648 CCCCCN(C)C(=O)CCOC 1626a_100000223495_100000749529 [0,2,0,0,0,0|2,0,0]=4 15303 B12R0.648 CCCCCN(C)C(=O)CCOC 240690a_100000223495_100000749529 [0,2,0,0,0,0|2,0,0]=4 15304 B12R0.648 CCCCCN(C)C(=O)CCOC 527a_100000223495_100000749529 [0,2,0,0,0,0|2,0,0]=4 15305 B12R0.648 CCCCCN(C)C(=O)CCSC 11a_100000223495_100000174002 [0,2,0,0,0,0|2,0,0]=4 15306 B12R0.648 CCCCCN(C)C(=O)CCSC 1626a_100000223495_100000174002 [0,2,0,0,0,0|2,0,0]=4 15307 B12R0.648 CCCCCN(C)C(=O)CCSC 240690a_100000223495_100000174002 [0,2,0,0,0,0|2,0,0]=4 15308 B12R0.648 CCCCCN(C)C(=O)CCSC 527a_100000223495_100000174002 [0,2,0,0,0,0|2,0,0]=4 15309 B12R0.648 CCCCCN(C)C(=O)COCC 11a_100000223495_100000211967 [0,2,0,0,0,0|1,0,0]=3 15310 B12R0.648 CCCCCN(C)C(=O)COCC 1626a_100000223495_100000211967 [0,2,0,0,0,0|1,0,0]=3 15311 B12R0.648 CCCCCN(C)C(=O)COCC 240690a_100000223495_100000211967 [0,2,0,0,0,0|1,0,0]=3 15312 B12R0.648 CCCCCN(C)C(=O)COCC 527a_100000223495_100000211967 [0,2,0,0,0,0|1,0,0]=3 15313 B12R0.648 CCCCCN(C)C(=O)CSCC 11a_100000223495_100000230394 [0,2,0,0,0,0|1,1,0]=4 15314 B12R0.648 CCCCCN(C)C(=O)CSCC 1626a_100000223495_100000230394 [0,2,0,0,0,0|1,1,0]=4 15315 B12R0.648 CCCCCN(C)C(=O)CSCC 240690a_100000223495_100000230394 [0,2,0,0,0,0|1,1,0]=4 15316 B12R0.648 CCCCCN(C)C(=O)CSCC 527a_100000223495_100000230394 [0,2,0,0,0,0|1,1,0]=4 15317 B12R0.648 CCCCCN(C)C(=O)NCCC 2708a_100020643023_100000223495 [0,2,0,0,0,0|2,0,0]=4 15318 B12R0.648 CCCCCN(C)C(=O)NCCC 273464a_100020643023_100000223495 [0,2,0,0,0,0|2,0,0]=4 15319 B12R0.648 CCCCCN(C)C(=O)NCCF 273464a_100000724931_100000223495 [0,2,0,0,0,0|2,0,0]=4 15320 B12R0.648 CCCCCN(C)C(=O)NCCO 273464a_100000210304_100000223495 [0,2,0,0,0,0|2,0,0]=4 15321 B12R0.648 CCCCNC(C)C(=O)NCCC 2230a_100000102301_100000230305 [0,2,0,0,0,0|2,0,0]=4 15322 B12R0.648 CCCCNC(C)C(=O)NCCC 2230a_100025744714_100000210211 [0,2,0,0,0,0|2,0,0]=4 15323 B12R0.648 CCCCNC(C)C(=O)NCCC 34a_100025744714_100000210210 [0,2,0,0,0,0|2,0,0]=4 15324 B12R0.648 CCCCNC(C)C(=O)NCCC 7a_106832991798_100000230305 [0,2,0,0,0,0|2,0,0]=4 15325 B12R0.648 CCCCNC(C)C(=O)OCCC 2230a_100000102301_100000760410 [0,2,0,0,0,0|1,0,0]=3 15326 B12R0.648 CCCCNC(C)C(=O)OCCC 7a_106832991798_100000760410 [0,2,0,0,0,0|1,0,0]=3 15327 B12R0.648 CCCCOC(C)C(=O)NCCC 34a_100000210227_100000230305 [0,2,0,0,0,0|2,0,0]=4 15328 B12R0.648 CCCCOC(C)C(=O)NCCC 7a_100000210227_100000230305 [0,2,0,0,0,0|2,0,0]=4 15329 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000037348_100000210210 [0,2,0,0,0,0|1,0,0]=3 15330 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000210227_100000760410 [0,2,0,0,0,0|1,0,0]=3 15331 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000037348_100000210211 [0,2,0,0,0,0|1,0,0]=3 15332 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000210227_100000760410 [0,2,0,0,0,0|1,0,0]=3 15333 B12R0.648 CCCCSC(C)C(=O)CCCC 1458a_100000191163_100000210211 [0,2,0,0,0,0|2,0,0]=4 15334 B12R0.648 CCCCSC(C)C(=O)CCCF 1458a_100000191163_100011934791 [0,2,0,0,0,0|2,0,0]=4 15335 B12R0.648 CCCCSC(C)C(=O)CCCO 1458a_100000191163_100011215043 [0,2,0,0,0,0|2,0,0]=4 15336 B12R0.648 CCCCSC(C)C(=O)CCOC 1458a_100000191163_100000233755 [0,2,0,0,0,0|2,0,0]=4 15337 B12R0.648 CCCCSC(C)C(=O)CCSC 1458a_100000191163_100000751147 [0,2,0,0,0,0|2,0,0]=4 15338 B12R0.648 CCCCSC(C)C(=O)NCCC 11a_100020643023_100000191163 [0,2,0,0,0,0|2,0,0]=4 15339 B12R0.648 CCCCSC(C)C(=O)NCCC 1626a_100020643023_100000191163 [0,2,0,0,0,0|2,0,0]=4 15340 B12R0.648 CCCCSC(C)C(=O)NCCC 240690a_100020643023_100000191163 [0,2,0,0,0,0|2,0,0]=4 15341 B12R0.648 CCCCSC(C)C(=O)NCCC 527a_100020643023_100000191163 [0,2,0,0,0,0|2,0,0]=4 15342 B12R0.648 CCCCSC(C)C(=O)NCCC 62a_100000210211_100000230305 [0,2,0,0,0,0|2,0,0]=4 15343 B12R0.648 CCCCSC(C)C(=O)NCCC 62a_100000230305_100000210210 [0,2,0,0,0,0|2,0,0]=4 15344 B12R0.648 CCCCSC(C)C(=O)NCCF 11a_100000724931_100000191163 [0,2,0,0,0,0|2,0,0]=4 15345 B12R0.648 CCCCSC(C)C(=O)NCCF 1626a_100000724931_100000191163 [0,2,0,0,0,0|2,0,0]=4 15346 B12R0.648 CCCCSC(C)C(=O)NCCF 240690a_100000724931_100000191163 [0,2,0,0,0,0|2,0,0]=4 15347 B12R0.648 CCCCSC(C)C(=O)NCCF 527a_100000724931_100000191163 [0,2,0,0,0,0|2,0,0]=4 15348 B12R0.648 CCCCSC(C)C(=O)NCCO 240690a_100000210304_100000191163 [0,2,0,0,0,0|2,0,0]=4 15349 B12R0.648 CCCCSC(C)C(=O)NCCO 527a_100000210304_100000191163 [0,2,0,0,0,0|2,0,0]=4 15350 B12R0.648 CCCCSC(C)C(=O)NNCC 22a_100000756455_100000191163 [0,2,0,0,0,0|2,0,0]=4 15351 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000210211_100000760410 [0,2,0,0,0,0|1,0,0]=3 15352 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000760410_100000210210 [0,2,0,0,0,0|1,0,0]=3 15353 B12R0.648 CCCOC(=O)C(C)NCCCF 2230a_100015189416_100000760410 [0,2,0,0,0,0|2,0,0]=4 15354 B12R0.648 CCCOC(=O)C(C)NCCCF 34a_100015189416_100000760410 [0,2,0,0,0,0|2,0,0]=4 15355 B12R0.648 CCCOC(=O)C(C)NCCOC 2230a_100000209980_100000760410 [0,2,0,0,0,0|2,0,0]=4 15356 B12R0.648 CCCOC(=O)C(C)NCCSC 2230a_100020590264_100000760410 [0,2,0,0,0,0|2,0,0]=4 15357 B12R0.648 CCCOC(=O)C(C)OCCCBr 34a_100011217188_100000760410 [0,2,0,0,0,0|2,0,0]=4 15358 B12R0.648 CCCOC(=O)C(C)OCCCCl 34a_100000230001_100000760410 [0,2,0,0,0,0|2,0,0]=4 15359 B12R0.648 CCCOC(=O)C(C)OCCCF 34a_100000037348_100011934791 [0,2,0,0,0,0|2,0,0]=4 15360 B12R0.648 CCCOC(=O)C(C)OCCCF 34a_100000759539_100000760410 [0,2,0,0,0,0|2,0,0]=4 15361 B12R0.648 CCCOC(=O)C(C)OCCCF 7a_100000037348_100011934791 [0,2,0,0,0,0|2,0,0]=4 15362 B12R0.648 CCCOC(=O)C(C)OCCCN 34a_100000182051_100000760410 [0,2,0,0,0,0|2,0,0]=4 15363 B12R0.648 CCCOC(=O)C(C)OCCCO 34a_100000037348_100000230001 [0,2,0,0,0,0|2,0,0]=4 15364 B12R0.648 CCCOC(=O)C(C)OCCCO 7a_100000037348_100011215043 [0,2,0,0,0,0|2,0,0]=4 15365 B12R0.648 CCCOC(=O)C(C)OCCOC 34a_100000037348_100011201679 [0,2,0,0,0,0|2,0,0]=4 15366 B12R0.648 CCCOC(=O)C(C)OCCOC 34a_100000210237_100000760410 [0,2,0,0,0,0|2,0,0]=4 15367 B12R0.648 CCCOC(=O)C(C)OCCOC 7a_100000037348_100000233755 [0,2,0,0,0,0|2,0,0]=4 15368 B12R0.648 CCCOC(=O)C(C)OCCSC 34a_100000037348_100000212216 [0,2,0,0,0,0|2,0,0]=4 15369 B12R0.648 CCCOC(=O)C(C)OCCSC 34a_100000230434_100000760410 [0,2,0,0,0,0|2,0,0]=4 15370 B12R0.648 CCCOC(=O)C(C)OCCSC 7a_100000037348_100000212216 [0,2,0,0,0,0|2,0,0]=4 15371 B12R0.648 CCCOC(=O)C(C)OCCSC 7a_100000230434_100000760410 [0,2,0,0,0,0|2,0,0]=4 15372 B12R0.648 CCCOC(=O)C(C)SCCCF 62a_100000760410_100011934791 [0,2,0,0,0,0|2,0,0]=4 15373 B12R0.648 CCCOC(=O)C(C)SCCCF 62a_100011934791_100000760410 [0,2,0,0,0,0|2,0,0]=4 15374 B12R0.648 CCCOC(=O)C(C)SCCCO 62a_100000760410_100011215043 [0,2,0,0,0,0|2,0,0]=4 15375 B12R0.648 CCCOC(=O)C(C)SCCCO 62a_100011215043_100000760410 [0,2,0,0,0,0|2,0,0]=4 15376 B12R0.648 CCCOC(=O)C(C)SCCOC 62a_100000233755_100000760410 [0,2,0,0,0,0|2,0,0]=4 15377 B12R0.648 CCCOC(=O)C(C)SCCOC 62a_100000760410_100000233755 [0,2,0,0,0,0|2,0,0]=4 15378 B12R0.648 CCCOC(=O)C(C)SCCSC 62a_100000212216_100000760410 [0,2,0,0,0,0|2,0,0]=4 15379 B12R0.648 CCCOC(=O)C(C)SCCSC 62a_100000760410_100000751147 [0,2,0,0,0,0|2,0,0]=4 15380 B12R0.648 CCCOC(=O)C(C)SCOCC 62a_100000739092_100000760410 [0,2,0,0,0,0|2,0,0]=4 15381 B12R0.648 CCCOC(=O)C(C)SCOCC 62a_100000760410_100000739092 [0,2,0,0,0,0|2,0,0]=4 15382 B12R0.648 CCOCC(=O)N(C)CCCCO 240690a_100000717598_100000211967 [0,2,0,0,0,0|2,0,0]=4 15383 B12R0.648 CCOCC(=O)N(C)CCCOC 11a_100000224831_100000211967 [0,2,0,0,0,0|2,0,0]=4 15384 B12R0.648 CCOCC(=O)N(C)CCCOC 1626a_100000224831_100000211967 [0,2,0,0,0,0|2,0,0]=4 15385 B12R0.648 CCOCC(=O)N(C)CCCOC 240690a_100000224831_100000211967 [0,2,0,0,0,0|2,0,0]=4 15386 B12R0.648 CCOCC(=O)N(C)CCCOC 527a_100000224831_100000211967 [0,2,0,0,0,0|2,0,0]=4 15387 B12R0.86 C/C=C(\C)/C(=O)CCCCC(C)C 1458a_100020587367_100011216152 [0,2,0,0,0,0|1,0,1]=4 15388 B12R0.86 CC(C)CCCCC(=O)C(O)CO 1458a_100011215603_100011216152 [0,2,0,0,0,0|2,0,0]=4 15389 B12R0.86 CCC(C)C(=O)CCCCC(=O)C 1458a_100011192722_100000735457 [0,2,0,0,0,0|1,0,1]=4 15390 B12R0.86 CCC(C)C(=O)CCCCC(C)C 1458a_100011192722_100011216152 [0,2,0,0,0,0|1,0,0]=3 15391 B12R0.86 CCC(C)C(=O)CCCCC(C)C 1458a_100011933920_100000758301 [0,2,0,0,0,0|1,0,0]=3 15392 B12R0.86 CCC(C)C(=O)NCCCC(C)C 11a_200000737386_100011192722 [0,2,0,0,0,0|2,0,0]=4 15393 B12R0.86 CCC(C)C(=O)NCCCC(C)C 1626a_200000737386_100011192722 [0,2,0,0,0,0|2,0,0]=4 15394 B12R0.86 CCC(C)C(=O)NCCCC(C)C 240690a_200000737386_100011192722 [0,2,0,0,0,0|2,0,0]=4 15395 B12R0.86 CCC(C)C(=O)NCCCC(C)C 527a_200000737386_100011192722 [0,2,0,0,0,0|2,0,0]=4 15396 B12R0.86 CCC(O)C(=O)CCCCC(=O)C 1458a_100011196387_100000735457 [0,2,0,0,0,0|1,0,1]=4 15397 B12R0.86 CCC(O)C(=O)CCCCC(C)C 1458a_100011196387_100011216152 [0,2,0,0,0,0|1,0,0]=3 15398 B12R0.86 CCC(O)C(=O)NCCCC(C)C 240690a_200000737386_100011196387 [0,2,0,0,0,0|2,0,0]=4 15399 B12R0.86 CCN(C)C(=O)CCCCC(C)C 11a_100000225621_100011933920 [0,2,0,0,0,0|1,0,0]=3 15400 B12R0.86 CCN(C)C(=O)CCCCC(C)C 1626a_100000225621_100011933920 [0,2,0,0,0,0|1,0,0]=3 15401 B12R0.86 CCN(C)C(=O)CCCCC(C)C 240690a_100000225621_100011933920 [0,2,0,0,0,0|1,0,0]=3 15402 B12R0.86 CCN(C)C(=O)CCCCC(C)C 527a_100000225621_100011933920 [0,2,0,0,0,0|1,0,0]=3 15403 B12R0.86 CCN(C)C(=O)CCCCN(C)C 11a_100000225621_100000751710 [0,2,0,0,0,0|2,0,0]=4 15404 B12R0.86 CCN(C)C(=O)CCCCN(C)C 240690a_100000225621_100000751710 [0,2,0,0,0,0|2,0,0]=4 15405 B12R0.86 CCN(C)C(=O)CCCCN(C)C 527a_100000225621_100000751710 [0,2,0,0,0,0|2,0,0]=4 15406 B12R0.86 CCN(C)C(=O)CNCCC(C)O 2230a_200000755665_100000738999 [0,2,0,0,0,0|2,0,0]=4 15407 B12R0.86 CCN(C)C(=O)COCCC(C)Br 34a_100009893172_100000738999 [0,2,0,0,0,0|2,0,0]=4 15408 B12R0.86 CCN(C)C(=O)COCCC(C)C 34a_100000210254_100000738999 [0,2,0,0,0,0|2,0,0]=4 15409 B12R0.86 CCN(C)C(=O)COCCC(C)C 7a_100000210254_100000738999 [0,2,0,0,0,0|2,0,0]=4 15410 B12R0.86 CCN(C)C(=O)COCC[C@@H](C)N 34a_100000706166_100000738999 [0,2,0,0,0,0|2,0,0]=4 15411 B12R0.86 CCN(C)C(=O)CSCCC(C)C 62a_100000210312_100000738999 [0,2,0,0,0,0|2,0,0]=4 15412 B12R0.86 CCN(C)C(=O)CSCCC(C)C 62a_100000738999_100000210312 [0,2,0,0,0,0|2,0,0]=4 15413 B12R0.86 CCN(C)C(=O)CSCCC(C)O 62a_100000738999_100012276601 [0,2,0,0,0,0|2,0,0]=4 15414 B12R0.86 CCN(C)C(=O)CSCCC(C)O 62a_100012276601_100000738999 [0,2,0,0,0,0|2,0,0]=4 15415 B12R0.86 CCN(C)C(=O)NCCCC(C)C 2708a_200000737386_100000225621 [0,2,0,0,0,0|2,0,0]=4 15416 B12R0.86 CCN(C)C(=O)NCCCC(C)C 273464a_200000737386_100000225621 [0,2,0,0,0,0|2,0,0]=4 15417 B12R0.86 CNC(=O)C(=O)CCCCC(C)C 1458a_100011218921_100011216152 [0,2,0,0,0,0|2,0,0]=4 15418 B12R0.86 COC(C)C(=O)CCCCC(C)C 1458a_100000743197_100011216152 [0,2,0,0,0,0|2,0,0]=4 15419 B12R0.86 CSC(C)C(=O)CCCCC(C)C 1458a_100000149566_100011216152 [0,2,0,0,0,0|2,0,0]=4 15420 B12R0.110 C/C=C(\C)/C(=O)C(C)CCCCC 1458a_100020587367_200011218191 [0,2,0,0,0,0|1,0,1]=4 15421 B12R0.110 CCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011218191 [0,2,0,0,0,0|2,0,0]=4 15422 B12R0.110 CCCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011218191 [0,2,0,0,0,0|1,0,0]=3 15423 B12R0.110 CCCCCC(C)C(=O)C(C)CC 1458a_100011215998_100000758301 [0,2,0,0,0,0|1,0,0]=3 15424 B12R0.110 CCCCCC(C)C(=O)C(C)OC 1458a_100000743197_200011218191 [0,2,0,0,0,0|2,0,0]=4 15425 B12R0.110 CCCCCC(C)C(=O)C(C)SC 1458a_100000149566_200011218191 [0,2,0,0,0,0|2,0,0]=4 15426 B12R0.110 CCCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011218191 [0,2,0,0,0,0|1,0,0]=3 15427 B12R0.110 CCCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011218191 [0,2,0,0,0,0|2,0,0]=4 15428 B12R0.110 CCCCCC(C)C(=O)N(C)CC 11a_100000225621_100011215998 [0,2,0,0,0,0|1,0,0]=3 15429 B12R0.110 CCCCCC(C)C(=O)N(C)CC 1626a_100000225621_100011215998 [0,2,0,0,0,0|1,0,0]=3 15430 B12R0.110 CCCCCC(C)C(=O)N(C)CC 240690a_100000225621_100011215998 [0,2,0,0,0,0|1,0,0]=3 15431 B12R0.110 CCCCCC(C)C(=O)N(C)CC 527a_100000225621_100011215998 [0,2,0,0,0,0|1,0,0]=3 15432 B12R0.110 CCCCCN(C)C(=O)C(C)CC 11a_100000223495_100011192722 [0,2,0,0,0,0|2,0,0]=4 15433 B12R0.110 CCCCCN(C)C(=O)C(C)CC 1626a_100000223495_100011192722 [0,2,0,0,0,0|2,0,0]=4 15434 B12R0.110 CCCCCN(C)C(=O)C(C)CC 240690a_100000223495_100011192722 [0,2,0,0,0,0|2,0,0]=4 15435 B12R0.110 CCCCCN(C)C(=O)C(C)CC 527a_100000223495_100011192722 [0,2,0,0,0,0|2,0,0]=4 15436 B12R0.110 CCCCCN(C)C(=O)C(O)CC 240690a_100000223495_100011196387 [0,2,0,0,0,0|2,0,0]=4 15437 B12R0.110 CCCCNC(C)C(=O)N(C)CC 2230a_100000102301_200012002205 [0,2,0,0,0,0|2,0,0]=4 15438 B12R0.110 CCCCNC(C)C(=O)N(C)CC 7a_106832991798_200012002205 [0,2,0,0,0,0|2,0,0]=4 15439 B12R0.110 CCCCOC(C)C(=O)N(C)CC 34a_100000210227_200012002205 [0,2,0,0,0,0|2,0,0]=4 15440 B12R0.110 CCCCOC(C)C(=O)N(C)CC 7a_100000210227_200012002205 [0,2,0,0,0,0|2,0,0]=4 15441 B12R0.110 CCCCSC(C)C(=O)C(C)CC 1458a_100000191163_100000758301 [0,2,0,0,0,0|2,0,0]=4 15442 B12R0.110 CCCCSC(C)C(=O)N(C)CC 11a_100000225621_100000191163 [0,2,0,0,0,0|2,0,0]=4 15443 B12R0.110 CCCCSC(C)C(=O)N(C)CC 1626a_100000225621_100000191163 [0,2,0,0,0,0|2,0,0]=4 15444 B12R0.110 CCCCSC(C)C(=O)N(C)CC 240690a_100000225621_100000191163 [0,2,0,0,0,0|2,0,0]=4 15445 B12R0.110 CCCCSC(C)C(=O)N(C)CC 527a_100000225621_100000191163 [0,2,0,0,0,0|2,0,0]=4 15446 B12R0.110 CCCCSC(C)C(=O)N(C)CC 62a_100000210211_200012002205 [0,2,0,0,0,0|2,0,0]=4 15447 B12R0.110 CCCCSC(C)C(=O)N(C)CC 62a_200012002205_100000210210 [0,2,0,0,0,0|2,0,0]=4 15448 B12R0.116 CCC(CC)C(=O)CCCCCF 1458a_100000211163_100000729378 [0,2,0,0,0,0|2,0,0]=4 15449 B12R0.116 CCC(CC)C(=O)CCCCCO 1458a_100000211163_100000746330 [0,2,0,0,0,0|2,0,0]=4 15450 B12R0.116 CCC(CC)C(=O)CCCCCO 1458a_100102619762_100000210505 [0,2,0,0,0,0|2,0,0]=4 15451 B12R0.116 CCC(CC)C(=O)CCCCOC 1458a_100000211163_100000755781 [0,2,0,0,0,0|2,0,0]=4 15452 B12R0.116 CCC(OC)C(=O)CCCCCF 1458a_100000747056_100000729378 [0,2,0,0,0,0|2,0,0]=4 15453 B12R0.116 CCC(OC)C(=O)CCCCCO 1458a_100000747056_100000746330 [0,2,0,0,0,0|2,0,0]=4 15454 B12R0.116 CCC(OC)C(=O)CCCCOC 1458a_100000747056_100000755781 [0,2,0,0,0,0|2,0,0]=4 15455 B12R0.116 CCCCCCC(=O)C(CC)CC 1458a_100000211163_100000210757 [0,2,0,0,0,0|1,0,0]=3 15456 B12R0.116 CCCCCCC(=O)C(CC)CC 1458a_100102632555_100000210505 [0,2,0,0,0,0|1,0,0]=3 15457 B12R0.116 CCCCCCC(=O)C(CC)OC 1458a_100000747056_100000210757 [0,2,0,0,0,0|1,0,0]=3 15458 B12R0.116 CCCCCCC(=O)C(OC)OC 1458a_100000046285_100000210757 [0,2,0,0,0,0|2,0,0]=4 15459 B12R0.116 CCCCCCC(=O)N(CC)CC 11a_100000724800_100102632555 [0,2,0,0,0,0|1,0,0]=3 15460 B12R0.116 CCCCCCC(=O)N(CC)CC 1626a_100000724800_100102632555 [0,2,0,0,0,0|1,0,0]=3 15461 B12R0.116 CCCCCCC(=O)N(CC)CC 240690a_100000724800_100102632555 [0,2,0,0,0,0|1,0,0]=3 15462 B12R0.116 CCCCCCC(=O)N(CC)CC 527a_100000724800_100102632555 [0,2,0,0,0,0|1,0,0]=3 15463 B12R0.116 CCCCCNC(=O)C(CC)CC 11a_100000209983_100000211163 [0,2,0,0,0,0|2,0,0]=4 15464 B12R0.116 CCCCCNC(=O)C(CC)CC 1626a_100000209983_100000211163 [0,2,0,0,0,0|2,0,0]=4 15465 B12R0.116 CCCCCNC(=O)C(CC)CC 240690a_100000209983_100000211163 [0,2,0,0,0,0|2,0,0]=4 15466 B12R0.116 CCCCCNC(=O)C(CC)CC 527a_100000209983_100000211163 [0,2,0,0,0,0|2,0,0]=4 15467 B12R0.116 CCCCCNC(=O)C(CC)OC 11a_100000209983_100000747056 [0,2,0,0,0,0|2,0,0]=4 15468 B12R0.116 CCCCCNC(=O)C(CC)OC 1626a_100000209983_100000747056 [0,2,0,0,0,0|2,0,0]=4 15469 B12R0.116 CCCCCNC(=O)C(CC)OC 240690a_100000209983_100000747056 [0,2,0,0,0,0|2,0,0]=4 15470 B12R0.116 CCCCCNC(=O)C(CC)OC 527a_100000209983_100000747056 [0,2,0,0,0,0|2,0,0]=4 15471 B12R0.116 CCCCCNC(=O)N(CC)CC 2708a_100000209983_100000724800 [0,2,0,0,0,0|2,0,0]=4 15472 B12R0.116 CCCCCNC(=O)N(CC)CC 273464a_100000209983_100000724800 [0,2,0,0,0,0|2,0,0]=4 15473 B12R0.116 CCCCNCC(=O)N(CC)CC 2230a_100000102301_100000211521 [0,2,0,0,0,0|2,0,0]=4 15474 B12R0.116 CCCCNCC(=O)N(CC)CC 2230a_100000174916_100000210211 [0,2,0,0,0,0|2,0,0]=4 15475 B12R0.116 CCCCNCC(=O)N(CC)CC 7a_106832991798_100000211521 [0,2,0,0,0,0|2,0,0]=4 15476 B12R0.116 CCCCOCC(=O)C(CC)CC 1458a_100000211163_100011995733 [0,2,0,0,0,0|2,0,0]=4 15477 B12R0.116 CCCCOCC(=O)C(CC)CC 1458a_100000757543_100000210505 [0,2,0,0,0,0|2,0,0]=4 15478 B12R0.116 CCCCOCC(=O)C(CC)OC 1458a_100000747056_100011995733 [0,2,0,0,0,0|2,0,0]=4 15479 B12R0.116 CCCCOCC(=O)N(CC)CC 11a_100000724800_100000757543 [0,2,0,0,0,0|2,0,0]=4 15480 B12R0.116 CCCCOCC(=O)N(CC)CC 1626a_100000724800_100000757543 [0,2,0,0,0,0|2,0,0]=4 15481 B12R0.116 CCCCOCC(=O)N(CC)CC 240690a_100000724800_100000757543 [0,2,0,0,0,0|2,0,0]=4 15482 B12R0.116 CCCCOCC(=O)N(CC)CC 34a_100000210227_100000211521 [0,2,0,0,0,0|2,0,0]=4 15483 B12R0.116 CCCCOCC(=O)N(CC)CC 527a_100000724800_100000757543 [0,2,0,0,0,0|2,0,0]=4 15484 B12R0.116 CCCCOCC(=O)N(CC)CC 7a_100000210227_100000211521 [0,2,0,0,0,0|2,0,0]=4 15485 B12R0.116 CCCCOCC(=O)N(CC)CC 7a_200000238847_100000210211 [0,2,0,0,0,0|2,0,0]=4 15486 B12R0.116 CCCCSCC(=O)C(CC)CC 1458a_100000191162_100000210505 [0,2,0,0,0,0|2,0,0]=4 15487 B12R0.116 CCCCSCC(=O)N(CC)CC 11a_100000724800_100000191162 [0,2,0,0,0,0|2,0,0]=4 15488 B12R0.116 CCCCSCC(=O)N(CC)CC 1626a_100000724800_100000191162 [0,2,0,0,0,0|2,0,0]=4 15489 B12R0.116 CCCCSCC(=O)N(CC)CC 240690a_100000724800_100000191162 [0,2,0,0,0,0|2,0,0]=4 15490 B12R0.116 CCCCSCC(=O)N(CC)CC 527a_100000724800_100000191162 [0,2,0,0,0,0|2,0,0]=4 15491 B12R0.116 CCCCSCC(=O)N(CC)CC 62a_100000210211_100000211521 [0,2,0,0,0,0|2,0,0]=4 15492 B12R0.116 CCCCSCC(=O)N(CC)CC 62a_100000211521_100000210210 [0,2,0,0,0,0|2,0,0]=4 15493 B12R0.116 CCCOCCC(=O)C(CC)CC 1458a_100000211163_100011215938 [0,2,0,0,0,0|2,0,0]=4 15494 B12R0.116 CCCOCCC(=O)C(CC)OC 1458a_100000747056_100011215938 [0,2,0,0,0,0|2,0,0]=4 15495 B12R0.116 CCCSCCC(=O)N(CC)CC 62a_100000210303_100011194432 [0,2,0,0,0,0|2,0,0]=4 15496 B12R0.116 CCN(CC)C(=O)CCCCCO 240690a_100000724800_100102619762 [0,2,0,0,0,0|2,0,0]=4 15497 B12R0.116 CCOCCCC(=O)C(CC)CC 1458a_100000211163_100012232248 [0,2,0,0,0,0|2,0,0]=4 15498 B12R0.116 CCOCCCC(=O)C(CC)OC 1458a_100000747056_100012232248 [0,2,0,0,0,0|2,0,0]=4 15499 B12R0.116 CCSCCCC(=O)N(CC)CC 62a_100000210202_100000183999 [0,2,0,0,0,0|2,0,0]=4 15500 B12R0.156 CCC(C)C(=O)CCCN(C)CC 1458a_100011192722_100015186262 [0,2,0,0,0,0|2,0,0]=4 15501 B12R0.156 CCC(C)CCNC(=O)C(C)CC 11a_100020591266_100011192722 [0,2,0,0,0,0|2,0,0]=4 15502 B12R0.156 CCC(C)CCNC(=O)C(C)CC 1626a_100020591266_100011192722 [0,2,0,0,0,0|2,0,0]=4 15503 B12R0.156 CCC(C)CCNC(=O)C(C)CC 240690a_100020591266_100011192722 [0,2,0,0,0,0|2,0,0]=4 15504 B12R0.156 CCC(C)CCNC(=O)C(C)CC 527a_100020591266_100011192722 [0,2,0,0,0,0|2,0,0]=4 15505 B12R0.156 CCC(C)CCNC(=O)C(O)CC 240690a_100020591266_100011196387 [0,2,0,0,0,0|2,0,0]=4 15506 B12R0.156 CCC(C)CCNC(=O)N(C)CC 2708a_100020591266_100000225621 [0,2,0,0,0,0|2,0,0]=4 15507 B12R0.156 CCC(C)CCNC(=O)N(C)CC 273464a_100020591266_100000225621 [0,2,0,0,0,0|2,0,0]=4 15508 B12R0.156 CCC(C)CNCC(=O)N(C)CC 2230a_100020588543_100000738999 [0,2,0,0,0,0|2,0,0]=4 15509 B12R0.156 CCC(C)CSCC(=O)N(C)CC 62a_100000738999_100000748023 [0,2,0,0,0,0|2,0,0]=4 15510 B12R0.156 CCC(C)CSCC(=O)N(C)CC 62a_100000748023_100000738999 [0,2,0,0,0,0|2,0,0]=4 15511 B12R0.156 CCC(O)C(=O)CCCN(C)CC 1458a_100011196387_100015186262 [0,2,0,0,0,0|2,0,0]=4 15512 B12R0.156 CCC(O)CNCC(=O)N(C)CC 2230a_100011218483_100000738999 [0,2,0,0,0,0|2,0,0]=4 15513 B12R0.156 CCC(O)CSCC(=O)N(C)CC 62a_100000738999_100011218378 [0,2,0,0,0,0|2,0,0]=4 15514 B12R0.156 CCC(O)CSCC(=O)N(C)CC 62a_100011218378_100000738999 [0,2,0,0,0,0|2,0,0]=4 15515 B12R0.156 CC[C@H](C)COCC(=O)N(C)CC 7a_100009816381_100000738999 [0,2,0,0,0,0|2,0,0]=4 15516 B12R0.156 CC[C@H](C)CSCC(=O)N(C)CC 62a_100000738999_100009816398 [0,2,0,0,0,0|2,0,0]=4 15517 B12R0.156 CC[C@H](C)CSCC(=O)N(C)CC 62a_100009816398_100000738999 [0,2,0,0,0,0|2,0,0]=4 15518 B12R0.324 CCC(C)(C)C(=O)CCCCCF 1458a_100000749717_100000729378 [0,2,0,0,0,0|2,0,0]=4 15519 B12R0.324 CCC(C)(C)C(=O)CCCCCO 1458a_100000749717_100000746330 [0,2,0,0,0,0|2,0,0]=4 15520 B12R0.324 CCC(C)(C)C(=O)CCCCOC 1458a_100000749717_100000755781 [0,2,0,0,0,0|2,0,0]=4 15521 B12R0.324 CCC(C)(O)C(=O)CCCCCF 1458a_100011219770_100000729378 [0,2,0,0,0,0|2,0,0]=4 15522 B12R0.324 CCC(C)(O)C(=O)CCCCCO 1458a_100011219770_100000746330 [0,2,0,0,0,0|2,0,0]=4 15523 B12R0.324 CCC(C)(O)C(=O)CCCCOC 1458a_100011219770_100000755781 [0,2,0,0,0,0|2,0,0]=4 15524 B12R0.324 CCC(F)(F)C(=O)CCCCCF 1458a_100000061896_100000729378 [0,2,0,0,0,0|2,0,0]=4 15525 B12R0.324 CCC(F)(F)C(=O)CCCCCO 1458a_100000061896_100000746330 [0,2,0,0,0,0|2,0,0]=4 15526 B12R0.324 CCC(F)(F)C(=O)CCCCOC 1458a_100000061896_100000755781 [0,2,0,0,0,0|2,0,0]=4 15527 B12R0.324 CCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210757 [0,2,0,0,0,0|1,0,0]=3 15528 B12R0.324 CCCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210757 [0,2,0,0,0,0|2,0,0]=4 15529 B12R0.324 CCCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210757 [0,2,0,0,0,0|2,0,0]=4 15530 B12R0.324 CCCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210757 [0,2,0,0,0,0|2,0,0]=4 15531 B12R0.324 CCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210757 [0,2,0,0,0,0|1,0,0]=3 15532 B12R0.324 CCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210757 [0,2,0,0,0,0|1,0,0]=3 15533 B12R0.324 CCCCCCC(=O)C(F)(F)NC 7a_106832991635_200032003737 [0,2,0,0,0,0|2,0,0]=4 15534 B12R0.324 CCCCCCC(=O)C(F)(F)SC 62a_200000210301_200032003737 [0,2,0,0,0,0|2,0,0]=4 15535 B12R0.324 CCCCCCC(=O)C(F)(F)SC 62a_200032003737_200000210301 [0,2,0,0,0,0|2,0,0]=4 15536 B12R0.324 CCCCCCC(=O)C(F)(F)S[13CH3] 62a_200025704644_200032003737 [0,2,0,0,0,0|2,0,0]=4 15537 B12R0.324 CCCCCCC(=O)C(F)(F)S[13CH3] 62a_200032003737_200025704644 [0,2,0,0,0,0|2,0,0]=4 15538 B12R0.324 CCCCCNC(=O)C(C)(C)CC 11a_100000209983_100000749717 [0,2,0,0,0,0|2,0,0]=4 15539 B12R0.324 CCCCCNC(=O)C(C)(C)CC 1626a_100000209983_100000749717 [0,2,0,0,0,0|2,0,0]=4 15540 B12R0.324 CCCCCNC(=O)C(C)(C)CC 240690a_100000209983_100000749717 [0,2,0,0,0,0|2,0,0]=4 15541 B12R0.324 CCCCCNC(=O)C(C)(C)CC 527a_100000209983_100000749717 [0,2,0,0,0,0|2,0,0]=4 15542 B12R0.324 CCCCCNC(=O)C(C)(O)CC 240690a_100000209983_100011219770 [0,2,0,0,0,0|2,0,0]=4 15543 B12R0.324 CCCCCNC(=O)C(F)(F)CC 11a_100000209983_100000061896 [0,2,0,0,0,0|2,0,0]=4 15544 B12R0.324 CCCCCNC(=O)C(F)(F)CC 1626a_100000209983_100000061896 [0,2,0,0,0,0|2,0,0]=4 15545 B12R0.324 CCCCCNC(=O)C(F)(F)CC 240690a_100000209983_100000061896 [0,2,0,0,0,0|2,0,0]=4 15546 B12R0.324 CCCCCNC(=O)C(F)(F)CC 527a_100000209983_100000061896 [0,2,0,0,0,0|2,0,0]=4 15547 B12R0.324 CCCCOCC(=O)C(C)(C)CC 1458a_100000749717_100011995733 [0,2,0,0,0,0|2,0,0]=4 15548 B12R0.324 CCCCOCC(=O)C(C)(O)CC 1458a_100011219770_100011995733 [0,2,0,0,0,0|2,0,0]=4 15549 B12R0.324 CCCCOCC(=O)C(F)(F)CC 1458a_100000061896_100011995733 [0,2,0,0,0,0|2,0,0]=4 15550 B12R0.324 CCCOCCC(=O)C(C)(C)CC 1458a_100000749717_100011215938 [0,2,0,0,0,0|2,0,0]=4 15551 B12R0.324 CCCOCCC(=O)C(C)(O)CC 1458a_100011219770_100011215938 [0,2,0,0,0,0|2,0,0]=4 15552 B12R0.324 CCCOCCC(=O)C(F)(F)CC 1458a_100000061896_100011215938 [0,2,0,0,0,0|2,0,0]=4 15553 B12R0.324 CCOCCCC(=O)C(C)(C)CC 1458a_100000749717_100012232248 [0,2,0,0,0,0|2,0,0]=4 15554 B12R0.324 CCOCCCC(=O)C(C)(O)CC 1458a_100011219770_100012232248 [0,2,0,0,0,0|2,0,0]=4 15555 B12R0.324 CCOCCCC(=O)C(F)(F)CC 1458a_100000061896_100012232248 [0,2,0,0,0,0|2,0,0]=4 15556 B12R0.600 CCCCCCS(=O)(=O)N(C)CC 270084a_100000225621_100011361803 [0,2,0,0,0,0|2,0,0]=4 15557 B12R0.600 CCCCCCS(=O)(=O)N(C)CC 274078a_100000225621_100011361803 [0,2,0,0,0,0|2,0,0]=4 15558 B12R0.54 C=C(C)CCOC(C)C(=O)OCC 34a_100000764851_100011216346 [0,2,0,0,0,0|1,0,1]=4 15559 B12R0.54 C=C(C)CCOC(F)C(=O)OCC 34a_100000764851_100000760018 [0,2,0,0,0,0|1,0,1]=4 15560 B12R0.54 C=C(C)CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000730704 [0,2,0,0,0,0|1,0,1]=4 15561 B12R0.54 C=C(C)CCSC(C)C(=O)OCC 62a_100000730704_100011216346 [0,2,0,0,0,0|1,0,1]=4 15562 B12R0.54 C=C(C)CCSC(C)C(=O)OCC 62a_100011216346_100000730704 [0,2,0,0,0,0|1,0,1]=4 15563 B12R0.54 C=C(C)CCSC(F)C(=O)OCC 62a_100000730704_100000760018 [0,2,0,0,0,0|1,0,1]=4 15564 B12R0.54 C=C(C)CCSC(F)C(=O)OCC 62a_100000760018_100000730704 [0,2,0,0,0,0|1,0,1]=4 15565 B12R0.54 C=C(CNCC(C)C)C(=O)OCC 34a_100000210953_100000755967 [0,2,0,0,0,0|1,0,1]=4 15566 B12R0.54 C=C(CNCC(C)O)C(=O)OCC 34a_100000210904_100000755967 [0,2,0,0,0,0|1,0,1]=4 15567 B12R0.54 C=C(COCC(C)Br)C(=O)OCC 34a_100012180447_100000755967 [0,2,0,0,0,0|1,0,1]=4 15568 B12R0.54 C=C(COCC(C)C)C(=O)OCC 34a_100000210257_100000755967 [0,2,0,0,0,0|1,0,1]=4 15569 B12R0.54 C=C(COCC(C)F)C(=O)OCC 34a_100015925927_100000755967 [0,2,0,0,0,0|1,0,1]=4 15570 B12R0.54 C=C(COC[C@@H](C)Cl)C(=O)OCC 34a_100016084084_100000755967 [0,2,0,0,0,0|1,0,1]=4 15571 B12R0.54 C=C(COC[C@@H](C)N)C(=O)OCC 34a_100000737577_100000755967 [0,2,0,0,0,0|1,0,1]=4 15572 B12R0.54 C=C(CSCC(C)C)C(=O)OCC 62a_100000210624_100000755967 [0,2,0,0,0,0|1,0,1]=4 15573 B12R0.54 C=C(CSCC(C)C)C(=O)OCC 62a_100000755967_100000210760 [0,2,0,0,0,0|1,0,1]=4 15574 B12R0.54 C=C(CSCC(C)O)C(=O)OCC 62a_100000755967_100011218427 [0,2,0,0,0,0|1,0,1]=4 15575 B12R0.54 C=C(CSCC(C)O)C(=O)OCC 62a_100011218427_100000755967 [0,2,0,0,0,0|1,0,1]=4 15576 B12R0.54 C=C(CSC[C@@H](C)O)C(=O)OCC 62a_100000755967_100009817552 [0,2,0,0,0,0|1,0,1]=4 15577 B12R0.54 C=C(CSC[C@@H](C)O)C(=O)OCC 62a_100009817552_100000755967 [0,2,0,0,0,0|1,0,1]=4 15578 B12R0.54 CCNC(=O)C(=O)CCCC(C)C 1458a_200011297158_100011214892 [0,2,0,0,0,0|1,0,1]=4 15579 B12R0.54 CCNC(=O)C(=O)CCCC(C)O 1458a_200011297158_200000718107 [0,2,0,0,0,0|1,0,1]=4 15580 B12R0.54 CCNC(=O)C(C)NCCC(C)C 2230a_100000736553_100000210312 [0,2,0,0,0,0|2,0,0]=4 15581 B12R0.54 CCNC(=O)C(C)NCCC(C)C 34a_100000736553_100000210312 [0,2,0,0,0,0|2,0,0]=4 15582 B12R0.54 CCNC(=O)C(C)NCCC(C)O 2230a_100000736553_100012276601 [0,2,0,0,0,0|2,0,0]=4 15583 B12R0.54 CCNC(=O)C(C)NCCC(C)O 2230a_200000755665_100000230173 [0,2,0,0,0,0|2,0,0]=4 15584 B12R0.54 CCNC(=O)C(C)NCCC(C)O 34a_100000736553_100012276601 [0,2,0,0,0,0|2,0,0]=4 15585 B12R0.54 CCNC(=O)C(C)OCCC(C)Br 34a_100009893172_100000230173 [0,2,0,0,0,0|2,0,0]=4 15586 B12R0.54 CCNC(=O)C(C)OCCC(C)C 34a_100000210254_100000230173 [0,2,0,0,0,0|2,0,0]=4 15587 B12R0.54 CCNC(=O)C(C)OCCC(C)C 7a_100000210254_100000230173 [0,2,0,0,0,0|2,0,0]=4 15588 B12R0.54 CCNC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100000230173 [0,2,0,0,0,0|2,0,0]=4 15589 B12R0.54 CCNC(=O)C(C)SCCC(C)C 62a_100000210312_100000230173 [0,2,0,0,0,0|2,0,0]=4 15590 B12R0.54 CCNC(=O)C(C)SCCC(C)C 62a_100000230173_100000210312 [0,2,0,0,0,0|2,0,0]=4 15591 B12R0.54 CCNC(=O)C(C)SCCC(C)O 62a_100000230173_100012276601 [0,2,0,0,0,0|2,0,0]=4 15592 B12R0.54 CCNC(=O)C(C)SCCC(C)O 62a_100012276601_100000230173 [0,2,0,0,0,0|2,0,0]=4 15593 B12R0.54 CCOC(=O)C(=O)CSCC(C)C 62a_100000210624_100000211299 [0,2,0,0,0,0|1,0,1]=4 15594 B12R0.54 CCOC(=O)C(=O)CSCC(C)C 62a_100000211299_100000210760 [0,2,0,0,0,0|1,0,1]=4 15595 B12R0.54 CCOC(=O)C(=O)CSCC(C)O 62a_100000211299_100011218427 [0,2,0,0,0,0|1,0,1]=4 15596 B12R0.54 CCOC(=O)C(=O)CSCC(C)O 62a_100011218427_100000211299 [0,2,0,0,0,0|1,0,1]=4 15597 B12R0.54 CCOC(=O)C(=O)CSC[C@@H](C)O 62a_100000211299_100009817552 [0,2,0,0,0,0|1,0,1]=4 15598 B12R0.54 CCOC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100000211299 [0,2,0,0,0,0|1,0,1]=4 15599 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 11a_100000210545_100014798877 [0,2,0,0,0,0|1,0,1]=4 15600 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 1626a_100000210545_100014798877 [0,2,0,0,0,0|1,0,1]=4 15601 B12R0.54 CCOC(=O)C(=O)NCCC(C)C 240690a_100000210545_100014798877 [0,2,0,0,0,0|1,0,1]=4 15602 B12R0.54 CCOC(=O)C(=O)NCCC(C)O 240690a_200000755665_100014798877 [0,2,0,0,0,0|1,0,1]=4 15603 B12R0.54 CCOC(=O)C(C)NCCC(C)O 2230a_200000755665_100011215307 [0,2,0,0,0,0|1,0,0]=3 15604 B12R0.54 CCOC(=O)C(C)OCCC(=O)C 34a_100000759926_100011216346 [0,2,0,0,0,0|1,0,1]=4 15605 B12R0.54 CCOC(=O)C(C)OCCC(=O)C 7a_100000759926_100011216346 [0,2,0,0,0,0|1,0,1]=4 15606 B12R0.54 CCOC(=O)C(C)OCCC(C)Br 34a_100009893172_100011216346 [0,2,0,0,0,0|1,0,0]=3 15607 B12R0.54 CCOC(=O)C(C)OCCC(C)C 34a_100000210254_100011216346 [0,2,0,0,0,0|1,0,0]=3 15608 B12R0.54 CCOC(=O)C(C)OCCC(C)C 7a_100000210254_100011216346 [0,2,0,0,0,0|1,0,0]=3 15609 B12R0.54 CCOC(=O)C(C)OCCC(F)F 34a_100103093639_100011216346 [0,2,0,0,0,0|2,0,0]=4 15610 B12R0.54 CCOC(=O)C(C)OCC[C@@H](C)N 34a_100000706166_100011216346 [0,2,0,0,0,0|1,0,0]=3 15611 B12R0.54 CCOC(=O)C(C)SCCC(=O)C 62a_100000053229_100011216346 [0,2,0,0,0,0|1,0,1]=4 15612 B12R0.54 CCOC(=O)C(C)SCCC(=O)C 62a_100011216346_100000053229 [0,2,0,0,0,0|1,0,1]=4 15613 B12R0.54 CCOC(=O)C(C)SCCC(C)C 62a_100000210312_100011216346 [0,2,0,0,0,0|1,0,0]=3 15614 B12R0.54 CCOC(=O)C(C)SCCC(C)C 62a_100011216346_100000210312 [0,2,0,0,0,0|1,0,0]=3 15615 B12R0.54 CCOC(=O)C(C)SCCC(C)O 62a_100011216346_100012276601 [0,2,0,0,0,0|1,0,0]=3 15616 B12R0.54 CCOC(=O)C(C)SCCC(C)O 62a_100012276601_100011216346 [0,2,0,0,0,0|1,0,0]=3 15617 B12R0.54 CCOC(=O)C(C)SCCN(C)C 62a_100011216346_100000755713 [0,2,0,0,0,0|2,0,0]=4 15618 B12R0.54 CCOC(=O)C(C)SCOC(C)C 62a_100000709892_100011216346 [0,2,0,0,0,0|2,0,0]=4 15619 B12R0.54 CCOC(=O)C(C)SCOC(C)C 62a_100011216346_100000709892 [0,2,0,0,0,0|2,0,0]=4 15620 B12R0.54 CCOC(=O)C(F)NCCC(C)O 2230a_200000755665_100000760018 [0,2,0,0,0,0|1,0,0]=3 15621 B12R0.54 CCOC(=O)C(F)OCCC(=O)C 34a_100000759926_100000760018 [0,2,0,0,0,0|1,0,1]=4 15622 B12R0.54 CCOC(=O)C(F)OCCC(=O)C 7a_100000759926_100000040065 [0,2,0,0,0,0|1,0,1]=4 15623 B12R0.54 CCOC(=O)C(F)OCCC(C)Br 34a_100009893172_100000760018 [0,2,0,0,0,0|1,0,0]=3 15624 B12R0.54 CCOC(=O)C(F)OCCC(C)C 34a_100000210254_100000760018 [0,2,0,0,0,0|1,0,0]=3 15625 B12R0.54 CCOC(=O)C(F)OCCC(C)C 7a_100000210254_100000040065 [0,2,0,0,0,0|1,0,0]=3 15626 B12R0.54 CCOC(=O)C(F)OCCC(F)F 34a_100103093639_100000760018 [0,2,0,0,0,0|2,0,0]=4 15627 B12R0.54 CCOC(=O)C(F)OCC[C@@H](C)N 34a_100000706166_100000760018 [0,2,0,0,0,0|1,0,0]=3 15628 B12R0.54 CCOC(=O)C(F)SCCC(=O)C 62a_100000053229_100000760018 [0,2,0,0,0,0|1,0,1]=4 15629 B12R0.54 CCOC(=O)C(F)SCCC(=O)C 62a_100000760018_100000053229 [0,2,0,0,0,0|1,0,1]=4 15630 B12R0.54 CCOC(=O)C(F)SCCC(C)C 62a_100000210312_100000760018 [0,2,0,0,0,0|1,0,0]=3 15631 B12R0.54 CCOC(=O)C(F)SCCC(C)C 62a_100000760018_100000210312 [0,2,0,0,0,0|1,0,0]=3 15632 B12R0.54 CCOC(=O)C(F)SCCC(C)O 62a_100000760018_100012276601 [0,2,0,0,0,0|1,0,0]=3 15633 B12R0.54 CCOC(=O)C(F)SCCC(C)O 62a_100012276601_100000760018 [0,2,0,0,0,0|1,0,0]=3 15634 B12R0.54 CCOC(=O)C(F)SCCN(C)C 62a_100000760018_100000755713 [0,2,0,0,0,0|2,0,0]=4 15635 B12R0.54 CCOC(=O)C(F)SCOC(C)C 62a_100000709892_100000760018 [0,2,0,0,0,0|2,0,0]=4 15636 B12R0.54 CCOC(=O)C(F)SCOC(C)C 62a_100000760018_100000709892 [0,2,0,0,0,0|2,0,0]=4 15637 B12R0.54 CCOC(=O)[C@H](C)OCCC(=O)C 7a_100000751109_100000053229 [0,2,0,0,0,0|1,0,1]=4 15638 B12R0.54 CCOC(=O)[C@H](C)OCCC(C)C 7a_100000751109_100000210626 [0,2,0,0,0,0|1,0,0]=3 15639 B12R0.54 CCOC(=O)[C@H](C)OCCC(C)O 7a_100000751109_100012276601 [0,2,0,0,0,0|1,0,0]=3 15640 B12R0.54 CCOC(=O)[C@H](C)OCCN(C)C 7a_100000751109_100000755713 [0,2,0,0,0,0|2,0,0]=4 15641 B12R0.54 CCSC(=O)[C@H](C)NCCC(C)C 2230a_100103168634_100000210312 [0,2,0,0,0,0|1,1,0]=4 15642 B12R0.54 CCSC(=O)[C@H](C)NCCC(C)O 2230a_100103168634_100012276601 [0,2,0,0,0,0|1,1,0]=4 15643 B12R0.193 C=C(COC(C)CC)C(=O)OCC 7a_100000210228_100000755967 [0,2,0,0,0,0|1,0,1]=4 15644 B12R0.193 C=C(CSC(C)CC)C(=O)OCC 62a_100000755967_100000758301 [0,2,0,0,0,0|1,0,1]=4 15645 B12R0.193 C=C(CSC(C)CC)C(=O)OCC 62a_100000758301_100000755967 [0,2,0,0,0,0|1,0,1]=4 15646 B12R0.193 CCNC(=O)C(C)NCC(C)CC 2230a_100000736553_100000748023 [0,2,0,0,0,0|2,0,0]=4 15647 B12R0.193 CCNC(=O)C(C)NCC(C)CC 2230a_100020588543_100000230173 [0,2,0,0,0,0|2,0,0]=4 15648 B12R0.193 CCNC(=O)C(C)NCC(C)CC 270004a_100000736553_100000243153 [0,2,0,0,0,0|2,0,0]=4 15649 B12R0.193 CCNC(=O)C(C)NCC(C)CC 34a_100000736553_100000748023 [0,2,0,0,0,0|2,0,0]=4 15650 B12R0.193 CCNC(=O)C(C)NCC(O)CC 2230a_100000736553_100011218378 [0,2,0,0,0,0|2,0,0]=4 15651 B12R0.193 CCNC(=O)C(C)NCC(O)CC 2230a_100011218483_100000230173 [0,2,0,0,0,0|2,0,0]=4 15652 B12R0.193 CCNC(=O)C(C)NCC(O)CC 34a_100000736553_100011218378 [0,2,0,0,0,0|2,0,0]=4 15653 B12R0.193 CCNC(=O)C(C)NC[C@@H](C)CC 2230a_100000736553_100009816398 [0,2,0,0,0,0|2,0,0]=4 15654 B12R0.193 CCNC(=O)C(C)NC[C@@H](C)CC 34a_100000736553_100009816398 [0,2,0,0,0,0|2,0,0]=4 15655 B12R0.193 CCNC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000230173 [0,2,0,0,0,0|2,0,0]=4 15656 B12R0.193 CCNC(=O)C(C)SCC(C)CC 62a_100000230173_100000748023 [0,2,0,0,0,0|2,0,0]=4 15657 B12R0.193 CCNC(=O)C(C)SCC(C)CC 62a_100000748023_100000230173 [0,2,0,0,0,0|2,0,0]=4 15658 B12R0.193 CCNC(=O)C(C)SCC(O)CC 62a_100000230173_100011218378 [0,2,0,0,0,0|2,0,0]=4 15659 B12R0.193 CCNC(=O)C(C)SCC(O)CC 62a_100011218378_100000230173 [0,2,0,0,0,0|2,0,0]=4 15660 B12R0.193 CCNC(=O)C(C)SC[C@@H](C)CC 62a_100000230173_100009816398 [0,2,0,0,0,0|2,0,0]=4 15661 B12R0.193 CCNC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100000230173 [0,2,0,0,0,0|2,0,0]=4 15662 B12R0.193 CCOC(=O)C(=O)CSC(C)CC 62a_100000211299_100000758301 [0,2,0,0,0,0|1,0,1]=4 15663 B12R0.193 CCOC(=O)C(=O)CSC(C)CC 62a_100000758301_100000211299 [0,2,0,0,0,0|1,0,1]=4 15664 B12R0.193 CCOC(=O)C(=O)NCC(C)CC 11a_100020588543_100014798877 [0,2,0,0,0,0|1,0,1]=4 15665 B12R0.193 CCOC(=O)C(=O)NCC(C)CC 1626a_100020588543_100014798877 [0,2,0,0,0,0|1,0,1]=4 15666 B12R0.193 CCOC(=O)C(=O)NCC(C)CC 240690a_100020588543_100014798877 [0,2,0,0,0,0|1,0,1]=4 15667 B12R0.193 CCOC(=O)C(=O)NCC(O)CC 11a_100011218483_100014798877 [0,2,0,0,0,0|1,0,1]=4 15668 B12R0.193 CCOC(=O)C(=O)NCC(O)CC 240690a_100011218483_100014798877 [0,2,0,0,0,0|1,0,1]=4 15669 B12R0.193 CCOC(=O)C(C)NCC(C)CC 2230a_100020588543_100011215307 [0,2,0,0,0,0|1,0,0]=3 15670 B12R0.193 CCOC(=O)C(C)NCC(C)CO 34a_100000744482_100011216346 [0,2,0,0,0,0|2,0,0]=4 15671 B12R0.193 CCOC(=O)C(C)NCC(O)CC 2230a_100011218483_100011215307 [0,2,0,0,0,0|1,0,0]=3 15672 B12R0.193 CCOC(=O)C(C)NC[C@@H](C)OC 2230a_100020591295_100011215307 [0,2,0,0,0,0|2,0,0]=4 15673 B12R0.193 CCOC(=O)C(C)NC[C@@H](F)CO 34a_100015665980_100011216346 [0,2,0,0,0,0|2,0,0]=4 15674 B12R0.193 CCOC(=O)C(C)NC[C@H](O)CO 2230a_100020644852_100011215307 [0,2,0,0,0,0|2,0,0]=4 15675 B12R0.193 CCOC(=O)C(C)OCC(=O)CC 34a_100000725409_100011216346 [0,2,0,0,0,0|1,0,1]=4 15676 B12R0.193 CCOC(=O)C(C)OCC(C)CN 34a_100000744482_100011216346 [0,2,0,0,0,0|2,0,0]=4 15677 B12R0.193 CCOC(=O)C(C)OCC(C)OC 34a_100000690652_100011216346 [0,2,0,0,0,0|2,0,0]=4 15678 B12R0.193 CCOC(=O)C(C)OCC(Cl)CCl 34a_100000033668_100011216346 [0,2,0,0,0,0|2,0,0]=4 15679 B12R0.193 CCOC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100011216346 [0,2,0,0,0,0|1,0,0]=3 15680 B12R0.193 CCOC(=O)C(C)OC[C@H](F)CN 34a_100015665980_100011216346 [0,2,0,0,0,0|2,0,0]=4 15681 B12R0.193 CCOC(=O)C(C)SCC(=O)CC 62a_100000747405_100011216346 [0,2,0,0,0,0|1,0,1]=4 15682 B12R0.193 CCOC(=O)C(C)SCC(=O)CC 62a_100011216346_100000747405 [0,2,0,0,0,0|1,0,1]=4 15683 B12R0.193 CCOC(=O)C(C)SCC(C)CC 62a_100000748023_100011216346 [0,2,0,0,0,0|1,0,0]=3 15684 B12R0.193 CCOC(=O)C(C)SCC(C)CC 62a_100011216346_100000748023 [0,2,0,0,0,0|1,0,0]=3 15685 B12R0.193 CCOC(=O)C(C)SCC(O)CC 62a_100011216346_100011218378 [0,2,0,0,0,0|1,0,0]=3 15686 B12R0.193 CCOC(=O)C(C)SCC(O)CC 62a_100011218378_100011216346 [0,2,0,0,0,0|1,0,0]=3 15687 B12R0.193 CCOC(=O)C(C)SCC(O)CO 62a_100011216346_100011219619 [0,2,0,0,0,0|2,0,0]=4 15688 B12R0.193 CCOC(=O)C(C)SCC(O)CO 62a_100011219619_100011216346 [0,2,0,0,0,0|2,0,0]=4 15689 B12R0.193 CCOC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100011216346 [0,2,0,0,0,0|1,0,0]=3 15690 B12R0.193 CCOC(=O)C(C)SC[C@@H](C)CC 62a_100011216346_100009816398 [0,2,0,0,0,0|1,0,0]=3 15691 B12R0.193 CCOC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100011216346 [0,2,0,0,0,0|2,0,0]=4 15692 B12R0.193 CCOC(=O)C(C)SC[C@@H](C)CO 62a_100011216346_100000059175 [0,2,0,0,0,0|2,0,0]=4 15693 B12R0.193 CCOC(=O)C(C)SC[C@@H](O)CF 62a_100011216346_100015614560 [0,2,0,0,0,0|2,0,0]=4 15694 B12R0.193 CCOC(=O)C(C)SC[C@@H](O)CF 62a_100015614560_100011216346 [0,2,0,0,0,0|2,0,0]=4 15695 B12R0.193 CCOC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100011216346 [0,2,0,0,0,0|2,0,0]=4 15696 B12R0.193 CCOC(=O)C(C)SC[C@@H](O)CO 62a_100011216346_100009815848 [0,2,0,0,0,0|2,0,0]=4 15697 B12R0.193 CCOC(=O)C(F)NCC(C)CC 2230a_100020588543_100000760018 [0,2,0,0,0,0|1,0,0]=3 15698 B12R0.193 CCOC(=O)C(F)NCC(C)CO 34a_100000744482_100000760018 [0,2,0,0,0,0|2,0,0]=4 15699 B12R0.193 CCOC(=O)C(F)NCC(O)CC 2230a_100011218483_100000760018 [0,2,0,0,0,0|1,0,0]=3 15700 B12R0.193 CCOC(=O)C(F)NC[C@@H](C)OC 2230a_100020591295_100000760018 [0,2,0,0,0,0|2,0,0]=4 15701 B12R0.193 CCOC(=O)C(F)NC[C@@H](F)CO 34a_100015665980_100000760018 [0,2,0,0,0,0|2,0,0]=4 15702 B12R0.193 CCOC(=O)C(F)NC[C@H](O)CO 2230a_100020644852_100000760018 [0,2,0,0,0,0|2,0,0]=4 15703 B12R0.193 CCOC(=O)C(F)OCC(=O)CC 34a_100000725409_100000760018 [0,2,0,0,0,0|1,0,1]=4 15704 B12R0.193 CCOC(=O)C(F)OCC(C)CN 34a_100000744482_100000760018 [0,2,0,0,0,0|2,0,0]=4 15705 B12R0.193 CCOC(=O)C(F)OCC(C)OC 34a_100000690652_100000760018 [0,2,0,0,0,0|2,0,0]=4 15706 B12R0.193 CCOC(=O)C(F)OCC(Cl)CCl 34a_100000033668_100000760018 [0,2,0,0,0,0|2,0,0]=4 15707 B12R0.193 CCOC(=O)C(F)OC[C@@H](C)CC 7a_100009816381_100000040065 [0,2,0,0,0,0|1,0,0]=3 15708 B12R0.193 CCOC(=O)C(F)OC[C@H](F)CN 34a_100015665980_100000760018 [0,2,0,0,0,0|2,0,0]=4 15709 B12R0.193 CCOC(=O)C(F)SCC(=O)CC 62a_100000747405_100000760018 [0,2,0,0,0,0|1,0,1]=4 15710 B12R0.193 CCOC(=O)C(F)SCC(=O)CC 62a_100000760018_100000747405 [0,2,0,0,0,0|1,0,1]=4 15711 B12R0.193 CCOC(=O)C(F)SCC(C)CC 62a_100000748023_100000760018 [0,2,0,0,0,0|1,0,0]=3 15712 B12R0.193 CCOC(=O)C(F)SCC(C)CC 62a_100000760018_100000748023 [0,2,0,0,0,0|1,0,0]=3 15713 B12R0.193 CCOC(=O)C(F)SCC(O)CC 62a_100000760018_100011218378 [0,2,0,0,0,0|1,0,0]=3 15714 B12R0.193 CCOC(=O)C(F)SCC(O)CC 62a_100011218378_100000760018 [0,2,0,0,0,0|1,0,0]=3 15715 B12R0.193 CCOC(=O)C(F)SCC(O)CO 62a_100000760018_100011219619 [0,2,0,0,0,0|2,0,0]=4 15716 B12R0.193 CCOC(=O)C(F)SCC(O)CO 62a_100011219619_100000760018 [0,2,0,0,0,0|2,0,0]=4 15717 B12R0.193 CCOC(=O)C(F)SC[C@@H](C)CC 62a_100000760018_100009816398 [0,2,0,0,0,0|1,0,0]=3 15718 B12R0.193 CCOC(=O)C(F)SC[C@@H](C)CC 62a_100009816398_100000760018 [0,2,0,0,0,0|1,0,0]=3 15719 B12R0.193 CCOC(=O)C(F)SC[C@@H](C)CO 62a_100000059175_100000760018 [0,2,0,0,0,0|2,0,0]=4 15720 B12R0.193 CCOC(=O)C(F)SC[C@@H](C)CO 62a_100000760018_100000059175 [0,2,0,0,0,0|2,0,0]=4 15721 B12R0.193 CCOC(=O)C(F)SC[C@@H](O)CF 62a_100000760018_100015614560 [0,2,0,0,0,0|2,0,0]=4 15722 B12R0.193 CCOC(=O)C(F)SC[C@@H](O)CF 62a_100015614560_100000760018 [0,2,0,0,0,0|2,0,0]=4 15723 B12R0.193 CCOC(=O)C(F)SC[C@@H](O)CO 62a_100000760018_100009815848 [0,2,0,0,0,0|2,0,0]=4 15724 B12R0.193 CCOC(=O)C(F)SC[C@@H](O)CO 62a_100009815848_100000760018 [0,2,0,0,0,0|2,0,0]=4 15725 B12R0.193 CCOC(=O)[C@H](C)OCC(=O)CC 7a_100000751109_100000747405 [0,2,0,0,0,0|1,0,1]=4 15726 B12R0.193 CCOC(=O)[C@H](C)OCC(C)CC 7a_100000751109_100000748023 [0,2,0,0,0,0|1,0,0]=3 15727 B12R0.193 CCOC(=O)[C@H](C)OCC(O)CC 7a_100000751109_100011218378 [0,2,0,0,0,0|1,0,0]=3 15728 B12R0.193 CCOC(=O)[C@H](C)OCC(O)CO 7a_100000751109_100011219619 [0,2,0,0,0,0|2,0,0]=4 15729 B12R0.193 CCOC(=O)[C@H](C)OC[C@@H](C)CC 7a_100000751109_100009816398 [0,2,0,0,0,0|1,0,0]=3 15730 B12R0.193 CCOC(=O)[C@H](C)OC[C@@H](C)CO 7a_100000751109_100000059175 [0,2,0,0,0,0|2,0,0]=4 15731 B12R0.193 CCOC(=O)[C@H](C)OC[C@@H](O)CF 7a_100000751109_100015614560 [0,2,0,0,0,0|2,0,0]=4 15732 B12R0.193 CCOC(=O)[C@H](C)OC[C@@H](O)CO 7a_100000751109_100009815848 [0,2,0,0,0,0|2,0,0]=4 15733 B12R0.193 CCSC(=O)[C@H](C)NCC(C)CC 2230a_100103168634_100000748023 [0,2,0,0,0,0|1,1,0]=4 15734 B12R0.193 CCSC(=O)[C@H](C)NCC(O)CC 2230a_100103168634_100011218378 [0,2,0,0,0,0|1,1,0]=4 15735 B12R0.193 CCSC(=O)[C@H](C)NC[C@@H](C)CC 2230a_100103168634_100009816398 [0,2,0,0,0,0|1,1,0]=4 15736 B12R0.363 CC/C=C(\C)/C(CCCCC)OC 34a_200016997515_200000210301 [0,2,0,0,0,0|2,0,0]=4 15737 B12R0.363 CC/C=C(\C)/C(CCCCC)OC 7a_200016997515_200000210301 [0,2,0,0,0,0|2,0,0]=4 15738 B12R0.363 CC/C=C(\C)/C(CCCCC)O[13CH3] 34a_200016997515_200025704644 [0,2,0,0,0,0|2,0,0]=4 15739 B12R0.363 CC/C=C(\C)/C(CCCCC)O[13CH3] 7a_200016997515_200025704644 [0,2,0,0,0,0|2,0,0]=4 15740 B12R0.363 CCCCCC(CC)C(=O)CCC 1458a_100000697129_100000210303 [0,2,0,0,0,0|1,0,0]=3 15741 B12R0.363 CCCCCC(CC)C(=O)CCF 1458a_100000697129_100011217306 [0,2,0,0,0,0|2,0,0]=4 15742 B12R0.363 CCCCCC(CC)C(=O)CCO 1458a_100000697129_100000211926 [0,2,0,0,0,0|2,0,0]=4 15743 B12R0.363 CCCCCC(CC)C(=O)NCC 11a_100015525214_100000697129 [0,2,0,0,0,0|1,0,0]=3 15744 B12R0.363 CCCCCC(CC)C(=O)NCC 240690a_100015525214_100000697129 [0,2,0,0,0,0|1,0,0]=3 15745 B12R0.363 CCCCCC(CC)C(=O)NCC 527a_100015525214_100000697129 [0,2,0,0,0,0|1,0,0]=3 15746 B12R0.363 CCCCCC(CC)C(=O)NNC 22a_100016993582_100000697129 [0,2,0,0,0,0|2,0,0]=4 15747 B12R0.363 CCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813352 [0,2,0,0,0,0|0,0,0]=2 15748 B12R0.363 CCCCCC(NC)C(=O)OCC 34a_100102657272_200009813352 [0,2,0,0,0,0|0,0,0]=2 15749 B12R0.363 CCCCCC(NC)C(=O)OCC 7a_106832991635_200009813352 [0,2,0,0,0,0|0,0,0]=2 15750 B12R0.363 CCCCCC(OC)C(=O)OCC 34a_100138415774_200009813352 [0,2,0,0,0,0|0,0,0]=2 15751 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200000210301_200009813352 [0,2,0,0,0,0|0,0,0]=2 15752 B12R0.363 CCCCCC(SC)C(=O)OCC 62a_200009813352_200000210301 [0,2,0,0,0,0|0,0,0]=2 15753 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200009813352_200025704644 [0,2,0,0,0,0|0,0,0]=2 15754 B12R0.363 CCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813352 [0,2,0,0,0,0|0,0,0]=2 15755 B12R0.363 CCCCNC(CC)C(=O)OCC 2230a_100000102301_100000212269 [0,2,0,0,0,0|1,0,0]=3 15756 B12R0.363 CCCCNC(CC)C(=O)OCC 7a_106832991798_100000212269 [0,2,0,0,0,0|1,0,0]=3 15757 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100000210227_100000212269 [0,2,0,0,0,0|1,0,0]=3 15758 B12R0.363 CCCCOC(CC)C(=O)OCC 34a_100011216719_100000210210 [0,2,0,0,0,0|1,0,0]=3 15759 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100000210227_100000212269 [0,2,0,0,0,0|1,0,0]=3 15760 B12R0.363 CCCCOC(CC)C(=O)OCC 7a_100011216719_100000210211 [0,2,0,0,0,0|1,0,0]=3 15761 B12R0.363 CCCCOC(SC)C(=O)OCC 34a_100000210227_100009893047 [0,2,0,0,0,0|1,0,0]=3 15762 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210210 [0,2,0,0,0,0|1,0,0]=3 15763 B12R0.363 CCCCSC(C=O)C(=O)OCC 62a_100000210211_100000053139 [0,2,0,0,0,0|1,0,0]=3 15764 B12R0.363 CCCCSC(CC)C(=O)OCC 62a_100000210211_100000212269 [0,2,0,0,0,0|1,0,0]=3 15765 B12R0.363 CCCCSC(CC)C(=O)OCC 62a_100000212269_100000210210 [0,2,0,0,0,0|1,0,0]=3 15766 B12R0.363 CCCCSC(SC)C(=O)OCC 62a_100000210211_100009893047 [0,2,0,0,0,0|1,0,0]=3 15767 B12R0.363 CCCCSC(SC)C(=O)OCC 62a_100009893047_100000210210 [0,2,0,0,0,0|1,0,0]=3 15768 B12R0.363 CCOC(=O)C(C=O)SCCCF 62a_100000053139_100011934791 [0,2,0,0,0,0|2,0,0]=4 15769 B12R0.363 CCOC(=O)C(C=O)SCCCF 62a_100011934791_100000053139 [0,2,0,0,0,0|2,0,0]=4 15770 B12R0.363 CCOC(=O)C(C=O)SCCCO 62a_100000053139_100011215043 [0,2,0,0,0,0|2,0,0]=4 15771 B12R0.363 CCOC(=O)C(C=O)SCCCO 62a_100011215043_100000053139 [0,2,0,0,0,0|2,0,0]=4 15772 B12R0.363 CCOC(=O)C(C=O)SCCOC 62a_100000053139_100000233755 [0,2,0,0,0,0|2,0,0]=4 15773 B12R0.363 CCOC(=O)C(C=O)SCCOC 62a_100000233755_100000053139 [0,2,0,0,0,0|2,0,0]=4 15774 B12R0.363 CCOC(=O)C(C=O)SCCSC 62a_100000053139_100000751147 [0,2,0,0,0,0|2,0,0]=4 15775 B12R0.363 CCOC(=O)C(C=O)SCCSC 62a_100000212216_100000053139 [0,2,0,0,0,0|2,0,0]=4 15776 B12R0.363 CCOC(=O)C(CC)NCCCF 2230a_100015189416_100000212269 [0,2,0,0,0,0|2,0,0]=4 15777 B12R0.363 CCOC(=O)C(CC)NCCCF 34a_100015189416_100000212269 [0,2,0,0,0,0|2,0,0]=4 15778 B12R0.363 CCOC(=O)C(CC)NCCOC 2230a_100000209980_100000212269 [0,2,0,0,0,0|2,0,0]=4 15779 B12R0.363 CCOC(=O)C(CC)NCCSC 2230a_100020590264_100000212269 [0,2,0,0,0,0|2,0,0]=4 15780 B12R0.363 CCOC(=O)C(CC)OCCCBr 34a_100011217188_100000212269 [0,2,0,0,0,0|2,0,0]=4 15781 B12R0.363 CCOC(=O)C(CC)OCCCCl 34a_100000230001_100000212269 [0,2,0,0,0,0|2,0,0]=4 15782 B12R0.363 CCOC(=O)C(CC)OCCCF 34a_100000759539_100000212269 [0,2,0,0,0,0|2,0,0]=4 15783 B12R0.363 CCOC(=O)C(CC)OCCCF 34a_100011216719_100011934791 [0,2,0,0,0,0|2,0,0]=4 15784 B12R0.363 CCOC(=O)C(CC)OCCCF 7a_100011216719_100011934791 [0,2,0,0,0,0|2,0,0]=4 15785 B12R0.363 CCOC(=O)C(CC)OCCCN 34a_100000182051_100000212269 [0,2,0,0,0,0|2,0,0]=4 15786 B12R0.363 CCOC(=O)C(CC)OCCCO 34a_100011216719_100000230001 [0,2,0,0,0,0|2,0,0]=4 15787 B12R0.363 CCOC(=O)C(CC)OCCCO 7a_100011216719_100011215043 [0,2,0,0,0,0|2,0,0]=4 15788 B12R0.363 CCOC(=O)C(CC)OCCOC 34a_100000210237_100000212269 [0,2,0,0,0,0|2,0,0]=4 15789 B12R0.363 CCOC(=O)C(CC)OCCOC 34a_100011216719_100011201679 [0,2,0,0,0,0|2,0,0]=4 15790 B12R0.363 CCOC(=O)C(CC)OCCOC 7a_100011216719_100000233755 [0,2,0,0,0,0|2,0,0]=4 15791 B12R0.363 CCOC(=O)C(CC)OCCSC 34a_100000230434_100000212269 [0,2,0,0,0,0|2,0,0]=4 15792 B12R0.363 CCOC(=O)C(CC)OCCSC 34a_100011216719_100000212216 [0,2,0,0,0,0|2,0,0]=4 15793 B12R0.363 CCOC(=O)C(CC)OCCSC 7a_100000230434_100000212269 [0,2,0,0,0,0|2,0,0]=4 15794 B12R0.363 CCOC(=O)C(CC)OCCSC 7a_100011216719_100000212216 [0,2,0,0,0,0|2,0,0]=4 15795 B12R0.363 CCOC(=O)C(CC)SCCCF 62a_100000212269_100011934791 [0,2,0,0,0,0|2,0,0]=4 15796 B12R0.363 CCOC(=O)C(CC)SCCCF 62a_100011934791_100000212269 [0,2,0,0,0,0|2,0,0]=4 15797 B12R0.363 CCOC(=O)C(CC)SCCCO 62a_100000212269_100011215043 [0,2,0,0,0,0|2,0,0]=4 15798 B12R0.363 CCOC(=O)C(CC)SCCCO 62a_100011215043_100000212269 [0,2,0,0,0,0|2,0,0]=4 15799 B12R0.363 CCOC(=O)C(CC)SCCOC 62a_100000212269_100000233755 [0,2,0,0,0,0|2,0,0]=4 15800 B12R0.363 CCOC(=O)C(CC)SCCOC 62a_100000233755_100000212269 [0,2,0,0,0,0|2,0,0]=4 15801 B12R0.363 CCOC(=O)C(CC)SCCSC 62a_100000212216_100000212269 [0,2,0,0,0,0|2,0,0]=4 15802 B12R0.363 CCOC(=O)C(CC)SCCSC 62a_100000212269_100000751147 [0,2,0,0,0,0|2,0,0]=4 15803 B12R0.363 CCOC(=O)C(NCCCF)SC 34a_100015189416_100009893047 [0,2,0,0,0,0|2,0,0]=4 15804 B12R0.363 CCOC(=O)C(OCCCBr)SC 34a_100011217188_100009893047 [0,2,0,0,0,0|2,0,0]=4 15805 B12R0.363 CCOC(=O)C(OCCCCl)SC 34a_100000230001_100009893047 [0,2,0,0,0,0|2,0,0]=4 15806 B12R0.363 CCOC(=O)C(OCCCF)SC 34a_100000759539_100009893047 [0,2,0,0,0,0|2,0,0]=4 15807 B12R0.363 CCOC(=O)C(OCCCN)SC 34a_100000182051_100009893047 [0,2,0,0,0,0|2,0,0]=4 15808 B12R0.363 CCOC(=O)C(OCCOC)SC 34a_100000210237_100009893047 [0,2,0,0,0,0|2,0,0]=4 15809 B12R0.363 CCOC(=O)C(OCCSC)SC 34a_100000230434_100009893047 [0,2,0,0,0,0|2,0,0]=4 15810 B12R0.363 CCOC(=O)C(SC)SCCCF 62a_100009893047_100011934791 [0,2,0,0,0,0|2,0,0]=4 15811 B12R0.363 CCOC(=O)C(SC)SCCCF 62a_100011934791_100009893047 [0,2,0,0,0,0|2,0,0]=4 15812 B12R0.363 CCOC(=O)C(SC)SCCCO 62a_100009893047_100011215043 [0,2,0,0,0,0|2,0,0]=4 15813 B12R0.363 CCOC(=O)C(SC)SCCCO 62a_100011215043_100009893047 [0,2,0,0,0,0|2,0,0]=4 15814 B12R0.363 CCOC(=O)C(SC)SCCOC 62a_100000233755_100009893047 [0,2,0,0,0,0|2,0,0]=4 15815 B12R0.363 CCOC(=O)C(SC)SCCOC 62a_100009893047_100000233755 [0,2,0,0,0,0|2,0,0]=4 15816 B12R0.363 CCOC(=O)C(SC)SCCSC 62a_100000212216_100009893047 [0,2,0,0,0,0|2,0,0]=4 15817 B12R0.363 CCOC(=O)C(SC)SCCSC 62a_100009893047_100000751147 [0,2,0,0,0,0|2,0,0]=4 15818 B12R0.363 CCOCSC(C=O)C(=O)OCC 62a_100000053139_100000739092 [0,2,0,0,0,0|2,0,0]=4 15819 B12R0.363 CCOCSC(C=O)C(=O)OCC 62a_100000739092_100000053139 [0,2,0,0,0,0|2,0,0]=4 15820 B12R0.363 CCOCSC(CC)C(=O)OCC 62a_100000212269_100000739092 [0,2,0,0,0,0|2,0,0]=4 15821 B12R0.363 CCOCSC(CC)C(=O)OCC 62a_100000739092_100000212269 [0,2,0,0,0,0|2,0,0]=4 15822 B12R0.363 CCOCSC(SC)C(=O)OCC 62a_100000739092_100009893047 [0,2,0,0,0,0|2,0,0]=4 15823 B12R0.363 CCOCSC(SC)C(=O)OCC 62a_100009893047_100000739092 [0,2,0,0,0,0|2,0,0]=4 15824 B12R0.658 CCCCNC(C)(C)C(=O)OCC 2230a_100000102301_100011216345 [0,2,0,0,0,0|1,0,0]=3 15825 B12R0.658 CCCCNC(C)(C)C(=O)OCC 7a_106832991798_100011216345 [0,2,0,0,0,0|1,0,0]=3 15826 B12R0.658 CCCCNC(F)(F)C(=O)OCC 7a_106832991798_100000210910 [0,2,0,0,0,0|1,0,0]=3 15827 B12R0.658 CCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210210 [0,2,0,0,0,0|1,0,0]=3 15828 B12R0.658 CCCCOC(C)(C)C(=O)OCC 7a_100000210227_100011216345 [0,2,0,0,0,0|1,0,0]=3 15829 B12R0.658 CCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210211 [0,2,0,0,0,0|1,0,0]=3 15830 B12R0.658 CCCCOC(F)(F)C(=O)OCC 34a_100000210227_100000210910 [0,2,0,0,0,0|1,0,0]=3 15831 B12R0.658 CCCCOC(F)(F)C(=O)OCC 7a_100000210227_100000210910 [0,2,0,0,0,0|1,0,0]=3 15832 B12R0.658 CCCCSC(C)(C)C(=O)OCC 62a_100000210211_100011216345 [0,2,0,0,0,0|1,0,0]=3 15833 B12R0.658 CCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210210 [0,2,0,0,0,0|1,0,0]=3 15834 B12R0.658 CCCCSC(F)(F)C(=O)OCC 62a_100000210211_100000210910 [0,2,0,0,0,0|1,0,0]=3 15835 B12R0.658 CCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210210 [0,2,0,0,0,0|1,0,0]=3 15836 B12R0.658 CCCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210303 [0,2,0,0,0,0|1,0,0]=3 15837 B12R0.658 CCCOCC(F)(F)C(=O)OCC 34a_100000210258_100009817193 [0,2,0,0,0,0|1,0,0]=3 15838 B12R0.658 CCCSCC(C)(C)C(=O)NCC 62a_100000210303_100011895991 [0,2,0,0,0,0|2,0,0]=4 15839 B12R0.658 CCCSCC(C)(C)C(=O)NCC 62a_100011895991_100000210303 [0,2,0,0,0,0|2,0,0]=4 15840 B12R0.658 CCCSCC(C)(C)C(=O)OCC 62a_100000210303_100011219049 [0,2,0,0,0,0|1,0,0]=3 15841 B12R0.658 CCCSCC(C)(C)C(=O)OCC 62a_100011219049_100000210303 [0,2,0,0,0,0|1,0,0]=3 15842 B12R0.658 CCCSCC(F)(F)C(=O)OCC 62a_100000210303_100009817193 [0,2,0,0,0,0|1,0,0]=3 15843 B12R0.658 CCCSCC(F)(F)C(=O)OCC 62a_100009817193_100000210303 [0,2,0,0,0,0|1,0,0]=3 15844 B12R0.658 CCOC(=O)C(C)(C)CNCCO 2230a_100016997473_100011219049 [0,2,0,0,0,0|2,0,0]=4 15845 B12R0.658 CCOC(=O)C(C)(C)COCCF 7a_100011765865_100011217306 [0,2,0,0,0,0|2,0,0]=4 15846 B12R0.658 CCOC(=O)C(C)(C)COCCO 7a_100011765865_100000211926 [0,2,0,0,0,0|2,0,0]=4 15847 B12R0.658 CCOC(=O)C(C)(C)CSCCF 62a_100011217306_100011219049 [0,2,0,0,0,0|2,0,0]=4 15848 B12R0.658 CCOC(=O)C(C)(C)CSCCF 62a_100011219049_100011217306 [0,2,0,0,0,0|2,0,0]=4 15849 B12R0.658 CCOC(=O)C(C)(C)CSCCO 62a_100000211926_100011219049 [0,2,0,0,0,0|2,0,0]=4 15850 B12R0.658 CCOC(=O)C(C)(C)CSCCO 62a_100011219049_100000211926 [0,2,0,0,0,0|2,0,0]=4 15851 B12R0.658 CCOC(=O)C(C)(C)CSCOC 62a_100000766300_100011219049 [0,2,0,0,0,0|2,0,0]=4 15852 B12R0.658 CCOC(=O)C(C)(C)CSCOC 62a_100011219049_100000766300 [0,2,0,0,0,0|2,0,0]=4 15853 B12R0.658 CCOC(=O)C(C)(C)CSCSC 62a_100011218213_100011219049 [0,2,0,0,0,0|2,0,0]=4 15854 B12R0.658 CCOC(=O)C(C)(C)CSCSC 62a_100011219049_100011218213 [0,2,0,0,0,0|2,0,0]=4 15855 B12R0.658 CCOC(=O)C(C)(C)NCCCF 2230a_100015189416_100011216345 [0,2,0,0,0,0|2,0,0]=4 15856 B12R0.658 CCOC(=O)C(C)(C)NCCOC 2230a_100000209980_100011216345 [0,2,0,0,0,0|2,0,0]=4 15857 B12R0.658 CCOC(=O)C(C)(C)NCCSC 2230a_100020590264_100011216345 [0,2,0,0,0,0|2,0,0]=4 15858 B12R0.658 CCOC(=O)C(C)(C)OCCCF 34a_100000686869_100011934791 [0,2,0,0,0,0|2,0,0]=4 15859 B12R0.658 CCOC(=O)C(C)(C)OCCCF 7a_100000686869_100011934791 [0,2,0,0,0,0|2,0,0]=4 15860 B12R0.658 CCOC(=O)C(C)(C)OCCCO 34a_100000686869_100000230001 [0,2,0,0,0,0|2,0,0]=4 15861 B12R0.658 CCOC(=O)C(C)(C)OCCCO 7a_100000686869_100011215043 [0,2,0,0,0,0|2,0,0]=4 15862 B12R0.658 CCOC(=O)C(C)(C)OCCOC 34a_100000686869_100011201679 [0,2,0,0,0,0|2,0,0]=4 15863 B12R0.658 CCOC(=O)C(C)(C)OCCOC 7a_100000686869_100000233755 [0,2,0,0,0,0|2,0,0]=4 15864 B12R0.658 CCOC(=O)C(C)(C)OCCSC 34a_100000686869_100000212216 [0,2,0,0,0,0|2,0,0]=4 15865 B12R0.658 CCOC(=O)C(C)(C)OCCSC 7a_100000230434_100011216345 [0,2,0,0,0,0|2,0,0]=4 15866 B12R0.658 CCOC(=O)C(C)(C)OCCSC 7a_100000686869_100000212216 [0,2,0,0,0,0|2,0,0]=4 15867 B12R0.658 CCOC(=O)C(C)(C)SCCCF 62a_100011216345_100011934791 [0,2,0,0,0,0|2,0,0]=4 15868 B12R0.658 CCOC(=O)C(C)(C)SCCCF 62a_100011934791_100011216345 [0,2,0,0,0,0|2,0,0]=4 15869 B12R0.658 CCOC(=O)C(C)(C)SCCCO 62a_100011215043_100011216345 [0,2,0,0,0,0|2,0,0]=4 15870 B12R0.658 CCOC(=O)C(C)(C)SCCCO 62a_100011216345_100011215043 [0,2,0,0,0,0|2,0,0]=4 15871 B12R0.658 CCOC(=O)C(C)(C)SCCOC 62a_100000233755_100011216345 [0,2,0,0,0,0|2,0,0]=4 15872 B12R0.658 CCOC(=O)C(C)(C)SCCOC 62a_100011216345_100000233755 [0,2,0,0,0,0|2,0,0]=4 15873 B12R0.658 CCOC(=O)C(C)(C)SCCSC 62a_100000212216_100011216345 [0,2,0,0,0,0|2,0,0]=4 15874 B12R0.658 CCOC(=O)C(C)(C)SCCSC 62a_100011216345_100000751147 [0,2,0,0,0,0|2,0,0]=4 15875 B12R0.658 CCOC(=O)C(F)(F)CNCCF 34a_100000724931_100009817193 [0,2,0,0,0,0|2,0,0]=4 15876 B12R0.658 CCOC(=O)C(F)(F)CNCCO 34a_100016990907_100009817193 [0,2,0,0,0,0|2,0,0]=4 15877 B12R0.658 CCOC(=O)C(F)(F)COCCBr 34a_100000211926_100009817193 [0,2,0,0,0,0|2,0,0]=4 15878 B12R0.658 CCOC(=O)C(F)(F)COCCN 34a_100000210304_100009817193 [0,2,0,0,0,0|2,0,0]=4 15879 B12R0.658 CCOC(=O)C(F)(F)CSCCF 62a_100009817193_100011217306 [0,2,0,0,0,0|2,0,0]=4 15880 B12R0.658 CCOC(=O)C(F)(F)CSCCF 62a_100011217306_100009817193 [0,2,0,0,0,0|2,0,0]=4 15881 B12R0.658 CCOC(=O)C(F)(F)CSCCO 62a_100000211926_100009817193 [0,2,0,0,0,0|2,0,0]=4 15882 B12R0.658 CCOC(=O)C(F)(F)CSCCO 62a_100009817193_100000211926 [0,2,0,0,0,0|2,0,0]=4 15883 B12R0.658 CCOC(=O)C(F)(F)CSCOC 62a_100000766300_100009817193 [0,2,0,0,0,0|2,0,0]=4 15884 B12R0.658 CCOC(=O)C(F)(F)CSCOC 62a_100009817193_100000766300 [0,2,0,0,0,0|2,0,0]=4 15885 B12R0.658 CCOC(=O)C(F)(F)CSCSC 62a_100009817193_100011218213 [0,2,0,0,0,0|2,0,0]=4 15886 B12R0.658 CCOC(=O)C(F)(F)CSCSC 62a_100011218213_100009817193 [0,2,0,0,0,0|2,0,0]=4 15887 B12R0.658 CCOC(=O)C(F)(F)NCCCF 34a_100015189416_100000210910 [0,2,0,0,0,0|2,0,0]=4 15888 B12R0.658 CCOC(=O)C(F)(F)OCCCBr 34a_100011217188_100000210910 [0,2,0,0,0,0|2,0,0]=4 15889 B12R0.658 CCOC(=O)C(F)(F)OCCCCl 34a_100000230001_100000210910 [0,2,0,0,0,0|2,0,0]=4 15890 B12R0.658 CCOC(=O)C(F)(F)OCCCF 34a_100000759539_100000210910 [0,2,0,0,0,0|2,0,0]=4 15891 B12R0.658 CCOC(=O)C(F)(F)OCCCN 34a_100000182051_100000210910 [0,2,0,0,0,0|2,0,0]=4 15892 B12R0.658 CCOC(=O)C(F)(F)OCCOC 34a_100000210237_100000210910 [0,2,0,0,0,0|2,0,0]=4 15893 B12R0.658 CCOC(=O)C(F)(F)OCCSC 34a_100000230434_100000210910 [0,2,0,0,0,0|2,0,0]=4 15894 B12R0.658 CCOC(=O)C(F)(F)OCCSC 7a_100000230434_100000210910 [0,2,0,0,0,0|2,0,0]=4 15895 B12R0.658 CCOC(=O)C(F)(F)SCCCF 62a_100000210910_100011934791 [0,2,0,0,0,0|2,0,0]=4 15896 B12R0.658 CCOC(=O)C(F)(F)SCCCF 62a_100011934791_100000210910 [0,2,0,0,0,0|2,0,0]=4 15897 B12R0.658 CCOC(=O)C(F)(F)SCCCO 62a_100000210910_100011215043 [0,2,0,0,0,0|2,0,0]=4 15898 B12R0.658 CCOC(=O)C(F)(F)SCCCO 62a_100011215043_100000210910 [0,2,0,0,0,0|2,0,0]=4 15899 B12R0.658 CCOC(=O)C(F)(F)SCCOC 62a_100000210910_100000233755 [0,2,0,0,0,0|2,0,0]=4 15900 B12R0.658 CCOC(=O)C(F)(F)SCCOC 62a_100000233755_100000210910 [0,2,0,0,0,0|2,0,0]=4 15901 B12R0.658 CCOC(=O)C(F)(F)SCCSC 62a_100000210910_100000751147 [0,2,0,0,0,0|2,0,0]=4 15902 B12R0.658 CCOC(=O)C(F)(F)SCCSC 62a_100000212216_100000210910 [0,2,0,0,0,0|2,0,0]=4 15903 B12R0.658 CCOCSC(C)(C)C(=O)OCC 62a_100000739092_100011216345 [0,2,0,0,0,0|2,0,0]=4 15904 B12R0.658 CCOCSC(C)(C)C(=O)OCC 62a_100011216345_100000739092 [0,2,0,0,0,0|2,0,0]=4 15905 B12R0.658 CCOCSC(F)(F)C(=O)OCC 62a_100000210910_100000739092 [0,2,0,0,0,0|2,0,0]=4 15906 B12R0.658 CCOCSC(F)(F)C(=O)OCC 62a_100000739092_100000210910 [0,2,0,0,0,0|2,0,0]=4 15907 B12R0.205 CCCCCCC(CCC)OCC 34a_200011215193_100000210202 [0,2,0,0,0,0|1,0,1]=4 15908 B12R0.205 CCCCCCC(CCC)OCC 7a_200011215193_100000210202 [0,2,0,0,0,0|1,0,1]=4 15909 B12R0.599 C#CC(C)(CCCCCC)OCC 34a_200000042405_100000210202 [0,2,0,0,0,0|1,0,1]=4 15910 B12R0.599 C#CC(C)(CCCCCC)OCC 7a_200000042405_100000210202 [0,2,0,0,0,0|1,0,1]=4 15911 B12R0.265 C#CC(CC)OCCC(=O)NCC 7a_100000758843_100000737597 [0,2,0,0,0,0|2,0,0]=4 15912 B12R0.265 C#CC(CC)OCCC(=O)OCC 34a_100000758843_100000765890 [0,2,0,0,0,0|1,0,0]=3 15913 B12R0.265 C#CC(CC)OCCC(=O)OCC 7a_100000758843_100011206558 [0,2,0,0,0,0|1,0,0]=3 15914 B12R0.265 C=CC(CC)OCCC(=O)NCC 7a_100000766422_100000737597 [0,2,0,0,0,0|2,0,0]=4 15915 B12R0.265 C=CC(CC)OCCC(=O)OCC 34a_100000766422_100000765890 [0,2,0,0,0,0|1,0,0]=3 15916 B12R0.265 C=CC(CC)OCCC(=O)OCC 7a_100000766422_100011206558 [0,2,0,0,0,0|1,0,0]=3 15917 B12R0.265 C=C[C@@H](CO)NCCC(=O)OCC 2230a_100016989147_100011206558 [0,2,0,0,0,0|2,0,0]=4 15918 B12R0.265 C=C[C@@H](CO)NCCC(=O)OCC 34a_100016989147_100000765890 [0,2,0,0,0,0|2,0,0]=4 15919 B12R0.265 CCCC(=O)CCCC(OC)OC 1458a_100000211992_100000069011 [0,2,0,0,0,0|2,0,0]=4 15920 B12R0.265 CCCC(=O)CCCN(CC)CC 1458a_100000211992_100000709985 [0,2,0,0,0,0|2,0,0]=4 15921 B12R0.265 CCCC(=O)CCCN(CC)CC 1458a_100076194134_100000210303 [0,2,0,0,0,0|2,0,0]=4 15922 B12R0.265 CCCC(=O)CNCC(CC)CC 2230a_100102946423_100000747444 [0,2,0,0,0,0|2,0,0]=4 15923 B12R0.265 CCCC(=O)COCC(CC)CC 7a_100000703878_100000747444 [0,2,0,0,0,0|2,0,0]=4 15924 B12R0.265 CCCC(=O)COCC(CC)OC 7a_100011934954_100000747444 [0,2,0,0,0,0|2,0,0]=4 15925 B12R0.265 CCCC(=O)CSCC(CC)CC 62a_100000747444_100011215472 [0,2,0,0,0,0|2,0,0]=4 15926 B12R0.265 CCCC(=O)CSCC(CC)CC 62a_100011215472_100000747444 [0,2,0,0,0,0|2,0,0]=4 15927 B12R0.265 CCNC(=O)CCCN(CC)CC 11a_100015525214_100076194134 [0,2,0,0,0,0|2,0,0]=4 15928 B12R0.265 CCNC(=O)CCCN(CC)CC 240690a_100015525214_100076194134 [0,2,0,0,0,0|2,0,0]=4 15929 B12R0.265 CCNC(=O)CCNC(CC)CC 2230a_100000199018_100000737597 [0,2,0,0,0,0|2,0,0]=4 15930 B12R0.265 CCNC(=O)CCNC(CC)CC 270004a_100025743525_100000210860 [0,2,0,0,0,0|2,0,0]=4 15931 B12R0.265 CCNC(=O)CCN[C@@H](CC)CO 2230a_100000709445_100000737597 [0,2,0,0,0,0|2,0,0]=4 15932 B12R0.265 CCNC(=O)CCOC(CC)CC 7a_100000688536_100000737597 [0,2,0,0,0,0|2,0,0]=4 15933 B12R0.265 CCNC(=O)CCSC(CC)CC 62a_100000210505_100000737597 [0,2,0,0,0,0|2,0,0]=4 15934 B12R0.265 CCNC(=O)CCSC(CC)CC 62a_100000737597_100000210505 [0,2,0,0,0,0|2,0,0]=4 15935 B12R0.265 CCNC(=O)CNCC(CC)CC 2230a_100016988866_100011215472 [0,2,0,0,0,0|2,0,0]=4 15936 B12R0.265 CCNC(=O)CNCC(CC)CC 2230a_100102946423_100000183381 [0,2,0,0,0,0|2,0,0]=4 15937 B12R0.265 CCNC(=O)CNCC(CC)CC 270004a_100016988866_100000211137 [0,2,0,0,0,0|2,0,0]=4 15938 B12R0.265 CCNC(=O)COCC(CC)CC 7a_100000703878_100000183381 [0,2,0,0,0,0|2,0,0]=4 15939 B12R0.265 CCNC(=O)COCC(CC)OC 34a_100011934954_100000183381 [0,2,0,0,0,0|2,0,0]=4 15940 B12R0.265 CCNC(=O)COCC(CC)OC 7a_100011934954_100000183381 [0,2,0,0,0,0|2,0,0]=4 15941 B12R0.265 CCNC(=O)CSCC(CC)CC 62a_100000183381_100011215472 [0,2,0,0,0,0|2,0,0]=4 15942 B12R0.265 CCNC(=O)CSCC(CC)CC 62a_100011215472_100000183381 [0,2,0,0,0,0|2,0,0]=4 15943 B12R0.265 CCOC(=O)CCCN(CC)CC 2230a_100000724800_100009991533 [0,2,0,0,0,0|1,0,0]=3 15944 B12R0.265 CCOC(=O)CCCN(CC)CC 269956a_100000042499_100009991533 [0,2,0,0,0,0|1,0,0]=3 15945 B12R0.265 CCOC(=O)CCCN(CC)CC 269982a_100000724800_100009991533 [0,2,0,0,0,0|1,0,0]=3 15946 B12R0.265 CCOC(=O)CCNC(CC)CC 2230a_100000199018_100011206558 [0,2,0,0,0,0|1,0,0]=3 15947 B12R0.265 CCOC(=O)CCNC(CO)CO 2230a_100000759517_100011206558 [0,2,0,0,0,0|2,0,0]=4 15948 B12R0.265 CCOC(=O)CCN[C@@H](CC)CO 2230a_100000709445_100011206558 [0,2,0,0,0,0|1,0,0]=3 15949 B12R0.265 CCOC(=O)CCOC(CC)CC 7a_100000688536_100011206558 [0,2,0,0,0,0|1,0,0]=3 15950 B12R0.265 CCOC(=O)CCOC(CCl)CCl 7a_100000737055_100011206558 [0,2,0,0,0,0|2,0,0]=4 15951 B12R0.265 CCOC(=O)CCOC(CF)CF 34a_100000032261_100000765890 [0,2,0,0,0,0|2,0,0]=4 15952 B12R0.265 CCOC(=O)CCOC(CF)CF 7a_100000032261_100011206558 [0,2,0,0,0,0|2,0,0]=4 15953 B12R0.265 CCOC(=O)CCOC(CN)CN 34a_100000031598_100000765890 [0,2,0,0,0,0|2,0,0]=4 15954 B12R0.265 CCOC(=O)CCO[C@@H](CF)CCl 34a_100015614560_100000765890 [0,2,0,0,0,0|2,0,0]=4 15955 B12R0.265 CCOC(=O)CCO[C@@H](CF)CCl 7a_100015614560_100011206558 [0,2,0,0,0,0|2,0,0]=4 15956 B12R0.265 CCOC(=O)CCSC(CC)CC 62a_100000210505_100000765890 [0,2,0,0,0,0|1,0,0]=3 15957 B12R0.265 CCOC(=O)CCSC(CC)CC 62a_100000765890_100000210505 [0,2,0,0,0,0|1,0,0]=3 15958 B12R0.265 CCOC(=O)CNCC(CC)CC 2230a_100102946423_100000188475 [0,2,0,0,0,0|1,0,0]=3 15959 B12R0.265 CCOC(=O)COCC(CC)CC 7a_100000703878_100000188475 [0,2,0,0,0,0|1,0,0]=3 15960 B12R0.265 CCOC(=O)COCC(CC)OC 34a_100011934954_100000188475 [0,2,0,0,0,0|1,0,0]=3 15961 B12R0.265 CCOC(=O)COCC(CC)OC 7a_100011934954_100000188475 [0,2,0,0,0,0|1,0,0]=3 15962 B12R0.265 CCOC(=O)COCC(OC)OC 34a_100011216393_100000188475 [0,2,0,0,0,0|2,0,0]=4 15963 B12R0.265 CCOC(=O)COCN(CC)CC 7a_200015374951_100000188475 [0,2,0,0,0,0|2,0,0]=4 15964 B12R0.265 CCOC(=O)CSCC(CC)CC 62a_100000188475_100011215472 [0,2,0,0,0,0|1,0,0]=3 15965 B12R0.265 CCOC(=O)CSCC(CC)CC 62a_100011215472_100000188475 [0,2,0,0,0,0|1,0,0]=3 15966 B12R0.265 CCOC(=O)CSCC(OC)OC 62a_100000188475_100000751394 [0,2,0,0,0,0|2,0,0]=4 15967 B12R0.265 CCOC(=O)CSCC(OC)OC 62a_100000751394_100000188475 [0,2,0,0,0,0|2,0,0]=4 15968 B12R0.265 CCOC(=O)NCCN(CC)CC 269956a_100000042499_200011445536 [0,2,0,0,0,0|2,0,0]=4 15969 B12R0.265 CCOC(=O)NCCN(CC)CC 269982a_100000724800_200011445536 [0,2,0,0,0,0|2,0,0]=4 15970 B12R0.265 CCOC(=O)OCSC(CC)CC 62a_100000210505_100000075025 [0,2,0,0,0,0|2,0,0]=4 15971 B12R0.279 C=C(C)C(=O)CCCC(=O)OCC 1458a_100000185857_100011215271 [0,2,0,0,0,0|0,0,2]=4 15972 B12R0.279 CCCC(=O)CNCC(O)C(C)C 2230a_100000759067_100000747444 [0,2,0,0,0,0|2,0,0]=4 15973 B12R0.279 CCNC(=O)CCCC(=O)C(C)C 1458a_100000199580_100000210206 [0,2,0,0,0,0|1,0,1]=4 15974 B12R0.279 CCNC(=O)CCNC(C)C(C)C 2230a_100000211541_100000737597 [0,2,0,0,0,0|2,0,0]=4 15975 B12R0.279 CCNC(=O)CCOC(C)C(C)C 7a_100000748068_100000737597 [0,2,0,0,0,0|2,0,0]=4 15976 B12R0.279 CCNC(=O)CNCC(O)C(C)C 2230a_100000759067_100000183381 [0,2,0,0,0,0|2,0,0]=4 15977 B12R0.279 CCNC(=O)CNCC(O)C(C)C 34a_100000759067_100000183381 [0,2,0,0,0,0|2,0,0]=4 15978 B12R0.279 CCNC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000183381 [0,2,0,0,0,0|2,0,0]=4 15979 B12R0.279 CCOC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215271 [0,2,0,0,0,0|0,0,1]=3 15980 B12R0.279 CCOC(=O)CCCC(=O)C(C)C 1458a_100000210991_100000210206 [0,2,0,0,0,0|0,0,1]=3 15981 B12R0.279 CCOC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215271 [0,2,0,0,0,0|0,0,1]=3 15982 B12R0.279 CCOC(=O)CCCC(=O)C(O)O 1458a_100000233687_100011215271 [0,2,0,0,0,0|1,0,1]=4 15983 B12R0.279 CCOC(=O)CCCC(=O)N(C)C 11a_100102631434_100000210991 [0,2,0,0,0,0|1,0,1]=4 15984 B12R0.279 CCOC(=O)CCCC(=O)N(C)C 1626a_100102631434_100000210991 [0,2,0,0,0,0|1,0,1]=4 15985 B12R0.279 CCOC(=O)CCCC(=O)N(C)C 240690a_100102631434_100000210991 [0,2,0,0,0,0|1,0,1]=4 15986 B12R0.279 CCOC(=O)CCCC(=O)N(C)C 527a_100102631434_100000210991 [0,2,0,0,0,0|1,0,1]=4 15987 B12R0.279 CCOC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215271 [0,2,0,0,0,0|0,0,1]=3 15988 B12R0.279 CCOC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215271 [0,2,0,0,0,0|0,0,1]=3 15989 B12R0.279 CCOC(=O)CCCN(C)C(C)C 269982a_200000211004_100009991533 [0,2,0,0,0,0|1,0,0]=3 15990 B12R0.279 CCOC(=O)CCNC(=O)C(C)C 188690a_100000746078_100000210198 [0,2,0,0,0,0|1,0,1]=4 15991 B12R0.279 CCOC(=O)CCNC(=O)C(C)F 188690a_100000746078_100000062450 [0,2,0,0,0,0|1,0,1]=4 15992 B12R0.279 CCOC(=O)CCNC(=O)[C@@H](C)O 188690a_100000746078_100000717761 [0,2,0,0,0,0|1,0,1]=4 15993 B12R0.279 CCOC(=O)CCNC(=O)[C@H](C)O 188690a_100000746078_217856618621 [0,2,0,0,0,0|1,0,1]=4 15994 B12R0.279 CCOC(=O)CCNC(C)C(C)C 2230a_100000211541_100011206558 [0,2,0,0,0,0|1,0,0]=3 15995 B12R0.279 CCOC(=O)CCOC(C)C(=O)C 34a_100000212229_100000765890 [0,2,0,0,0,0|1,0,1]=4 15996 B12R0.279 CCOC(=O)CCOC(C)C(C)C 7a_100000748068_100011206558 [0,2,0,0,0,0|1,0,0]=3 15997 B12R0.279 CCOC(=O)CCSC(C)C(=O)C 62a_100000765890_100009814033 [0,2,0,0,0,0|1,0,1]=4 15998 B12R0.279 CCOC(=O)CCSC(C)C(=O)C 62a_100009814033_100000765890 [0,2,0,0,0,0|1,0,1]=4 15999 B12R0.279 CCOC(=O)CNCC(O)C(C)C 2230a_100000759067_100000188475 [0,2,0,0,0,0|1,0,0]=3 16000 B12R0.279 CCOC(=O)CNCC(O)C(C)C 34a_100000759067_100000188475 [0,2,0,0,0,0|1,0,0]=3 16001 B12R0.279 CCOC(=O)COCC(C)C(=O)C 34a_100000032740_100000188475 [0,2,0,0,0,0|1,0,1]=4 16002 B12R0.279 CCOC(=O)COCC(C)C(=O)C 7a_100000032740_100000188475 [0,2,0,0,0,0|1,0,1]=4 16003 B12R0.279 CCOC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000188475 [0,2,0,0,0,0|1,0,0]=3 16004 B12R0.279 CCOC(=O)CSCC(=O)C(C)C 62a_100000188475_100000753385 [0,2,0,0,0,0|1,0,1]=4 16005 B12R0.279 CCOC(=O)CSCC(=O)C(C)C 62a_100000753385_100000188475 [0,2,0,0,0,0|1,0,1]=4 16006 B12R0.279 CCOC(=O)NCCC(=O)C(C)C 1458a_100000210198_200011445536 [0,2,0,0,0,0|1,0,1]=4 16007 B12R0.279 CCOC(=O)NCCC(=O)C(C)F 1458a_100000062450_200011445536 [0,2,0,0,0,0|1,0,1]=4 16008 B12R0.279 CCOC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_200011445536 [0,2,0,0,0,0|1,0,1]=4 16009 B12R0.279 CCOC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_200011445536 [0,2,0,0,0,0|1,0,1]=4 16010 B12R0.279 CCOC(=O)NCCN(C)C(C)C 269982a_200000211004_200011445536 [0,2,0,0,0,0|2,0,0]=4 16011 B12R0.573 CCCC(=O)COCC(C)(C)CC 7a_100000765029_100000747444 [0,2,0,0,0,0|2,0,0]=4 16012 B12R0.573 CCNC(=O)CCNC(C)(C)CC 2230a_100000211385_100000737597 [0,2,0,0,0,0|2,0,0]=4 16013 B12R0.573 CCNC(=O)CCOC(C)(C)CC 7a_100000210230_100000737597 [0,2,0,0,0,0|2,0,0]=4 16014 B12R0.573 CCNC(=O)CCSC(C)(C)CC 62a_100000032637_100000737597 [0,2,0,0,0,0|2,0,0]=4 16015 B12R0.573 CCNC(=O)CCSC(C)(C)CC 62a_100000737597_100000032637 [0,2,0,0,0,0|2,0,0]=4 16016 B12R0.573 CCNC(=O)COCC(C)(C)CC 7a_100000765029_100000183381 [0,2,0,0,0,0|2,0,0]=4 16017 B12R0.573 CCOC(=O)CCNC(C)(C)CC 2230a_100000211385_100011206558 [0,2,0,0,0,0|1,0,0]=3 16018 B12R0.573 CCOC(=O)CCNC(C)(C)CO 2230a_100000210608_100011206558 [0,2,0,0,0,0|2,0,0]=4 16019 B12R0.573 CCOC(=O)CCOC(C)(C)CC 7a_100000210230_100011206558 [0,2,0,0,0,0|1,0,0]=3 16020 B12R0.573 CCOC(=O)CCOC(C)(C)CCl 7a_100000764493_100011206558 [0,2,0,0,0,0|2,0,0]=4 16021 B12R0.573 CCOC(=O)CCSC(C)(C)CC 62a_100000032637_100000765890 [0,2,0,0,0,0|1,0,0]=3 16022 B12R0.573 CCOC(=O)CCSC(C)(C)CC 62a_100000765890_100000032637 [0,2,0,0,0,0|1,0,0]=3 16023 B12R0.573 CCOC(=O)CCSC(F)(F)CO 62a_100000765890_100011217949 [0,2,0,0,0,0|2,0,0]=4 16024 B12R0.573 CCOC(=O)CCSC(F)(F)CO 62a_100011217949_100000765890 [0,2,0,0,0,0|2,0,0]=4 16025 B12R0.573 CCOC(=O)CNCC(C)(C)CO 2230a_100020635058_100000188475 [0,2,0,0,0,0|2,0,0]=4 16026 B12R0.573 CCOC(=O)CNCC(C)(C)OC 2230a_100000763424_100000188475 [0,2,0,0,0,0|2,0,0]=4 16027 B12R0.573 CCOC(=O)COCC(C)(C)CC 7a_100000765029_100000188475 [0,2,0,0,0,0|1,0,0]=3 16028 B12R0.573 CCOC(=O)COCC(C)(C)CCl 7a_100011217199_100000188475 [0,2,0,0,0,0|2,0,0]=4 16029 B12R0.573 CCOC(=O)COCC(F)(F)CN 34a_100000703232_100000188475 [0,2,0,0,0,0|2,0,0]=4 16030 B12R0.573 CCOC(=O)CSCC(C)(C)CO 62a_100000188475_100009813988 [0,2,0,0,0,0|2,0,0]=4 16031 B12R0.573 CCOC(=O)CSCC(C)(C)CO 62a_100009813988_100000188475 [0,2,0,0,0,0|2,0,0]=4 16032 B12R0.573 CCOC(=O)CSCC(C)(C)OC 62a_100000188475_100000701081 [0,2,0,0,0,0|2,0,0]=4 16033 B12R0.573 CCOC(=O)CSCC(C)(C)OC 62a_100000701081_100000188475 [0,2,0,0,0,0|2,0,0]=4 16034 B12R0.573 CCOC(=O)OCSC(C)(C)CC 62a_100000032637_100000075025 [0,2,0,0,0,0|2,0,0]=4 16035 B12R0.72 CCCC(=O)CCCCC(F)(F)F 1458a_100000211992_100000692467 [0,2,0,0,0,0|2,0,0]=4 16036 B12R0.72 CCCC(=O)CNCCC(C)(C)C 2230a_100000738805_100000747444 [0,2,0,0,0,0|2,0,0]=4 16037 B12R0.72 CCCC(=O)CNCCC(C)(C)F 2230a_100016253952_100000747444 [0,2,0,0,0,0|2,0,0]=4 16038 B12R0.72 CCCC(=O)COCCC(C)(C)C 7a_100000765024_100000747444 [0,2,0,0,0,0|2,0,0]=4 16039 B12R0.72 CCCC(=O)CSCCC(C)(C)C 62a_100000747444_100000755188 [0,2,0,0,0,0|2,0,0]=4 16040 B12R0.72 CCCC(=O)CSCCC(C)(C)C 62a_100000755188_100000747444 [0,2,0,0,0,0|2,0,0]=4 16041 B12R0.72 CCCC(=O)CSCCC(C)(C)O 62a_100000702414_100000747444 [0,2,0,0,0,0|2,0,0]=4 16042 B12R0.72 CCCC(=O)CSCCC(C)(C)O 62a_100000747444_100000702414 [0,2,0,0,0,0|2,0,0]=4 16043 B12R0.72 CCNC(=O)CCNCC(C)(C)C 2230a_100000743828_100000737597 [0,2,0,0,0,0|2,0,0]=4 16044 B12R0.72 CCNC(=O)CCNCC(C)(C)C 270004a_100025743525_100011204126 [0,2,0,0,0,0|2,0,0]=4 16045 B12R0.72 CCNC(=O)CCNCC(C)(C)C 34a_100025743525_100011219605 [0,2,0,0,0,0|2,0,0]=4 16046 B12R0.72 CCNC(=O)CCNCC(C)(C)F 2230a_100020643315_100000737597 [0,2,0,0,0,0|2,0,0]=4 16047 B12R0.72 CCNC(=O)CCNCC(C)(C)F 34a_100025743525_100011997219 [0,2,0,0,0,0|2,0,0]=4 16048 B12R0.72 CCNC(=O)CCNCC(C)(C)O 2230a_100000751335_100000737597 [0,2,0,0,0,0|2,0,0]=4 16049 B12R0.72 CCNC(=O)CCNCC(C)(C)O 34a_100025743525_100000764493 [0,2,0,0,0,0|2,0,0]=4 16050 B12R0.72 CCNC(=O)CCSCC(C)(C)C 62a_100000737597_100011219605 [0,2,0,0,0,0|2,0,0]=4 16051 B12R0.72 CCNC(=O)CCSCC(C)(C)C 62a_100011219605_100000737597 [0,2,0,0,0,0|2,0,0]=4 16052 B12R0.72 CCNC(=O)CCSCC(C)(C)F 62a_100000737597_100011997219 [0,2,0,0,0,0|2,0,0]=4 16053 B12R0.72 CCNC(=O)CCSCC(C)(C)F 62a_100011997219_100000737597 [0,2,0,0,0,0|2,0,0]=4 16054 B12R0.72 CCNC(=O)CCSCC(C)(C)O 62a_100000737597_100000764493 [0,2,0,0,0,0|2,0,0]=4 16055 B12R0.72 CCNC(=O)CCSCC(C)(C)O 62a_100000764493_100000737597 [0,2,0,0,0,0|2,0,0]=4 16056 B12R0.72 CCNC(=O)CNCCC(C)(C)C 2230a_100000738805_100000183381 [0,2,0,0,0,0|2,0,0]=4 16057 B12R0.72 CCNC(=O)CNCCC(C)(C)C 2230a_100016988866_100000755188 [0,2,0,0,0,0|2,0,0]=4 16058 B12R0.72 CCNC(=O)CNCCC(C)(C)F 2230a_100016253952_100000183381 [0,2,0,0,0,0|2,0,0]=4 16059 B12R0.72 CCNC(=O)CNCCC(C)(C)O 2230a_100016988866_100000702414 [0,2,0,0,0,0|2,0,0]=4 16060 B12R0.72 CCNC(=O)COCCC(C)(C)C 7a_100000765024_100000183381 [0,2,0,0,0,0|2,0,0]=4 16061 B12R0.72 CCNC(=O)CSCCC(C)(C)C 62a_100000183381_100000755188 [0,2,0,0,0,0|2,0,0]=4 16062 B12R0.72 CCNC(=O)CSCCC(C)(C)C 62a_100000755188_100000183381 [0,2,0,0,0,0|2,0,0]=4 16063 B12R0.72 CCNC(=O)CSCCC(C)(C)O 62a_100000183381_100000702414 [0,2,0,0,0,0|2,0,0]=4 16064 B12R0.72 CCNC(=O)CSCCC(C)(C)O 62a_100000702414_100000183381 [0,2,0,0,0,0|2,0,0]=4 16065 B12R0.72 CCOC(=O)CCCNC(C)(C)C 2230a_100000715429_100009991533 [0,2,0,0,0,0|1,0,0]=3 16066 B12R0.72 CCOC(=O)CCCOC(C)(C)C 34a_100015890283_100009991533 [0,2,0,0,0,0|1,0,0]=3 16067 B12R0.72 CCOC(=O)CCCOC(C)(C)C 7a_100015890283_100011215271 [0,2,0,0,0,0|1,0,0]=3 16068 B12R0.72 CCOC(=O)CCCOC(F)(F)F 7a_100012001163_200000243211 [0,2,0,0,0,0|2,0,0]=4 16069 B12R0.72 CCOC(=O)CCCSC(C)(C)C 62a_100000211941_100009991533 [0,2,0,0,0,0|1,0,0]=3 16070 B12R0.72 CCOC(=O)CCCSC(C)(C)C 62a_100009991533_100000211941 [0,2,0,0,0,0|1,0,0]=3 16071 B12R0.72 CCOC(=O)CCCSC(F)(F)F 62a_100009991533_200103152311 [0,2,0,0,0,0|2,0,0]=4 16072 B12R0.72 CCOC(=O)CCCSC(F)(F)F 62a_200000243211_100009991533 [0,2,0,0,0,0|2,0,0]=4 16073 B12R0.72 CCOC(=O)CCNCC(C)(C)C 2230a_100000743828_100011206558 [0,2,0,0,0,0|1,0,0]=3 16074 B12R0.72 CCOC(=O)CCNCC(C)(C)F 2230a_100020643315_100011206558 [0,2,0,0,0,0|1,0,0]=3 16075 B12R0.72 CCOC(=O)CCNCC(C)(C)O 2230a_100000751335_100011206558 [0,2,0,0,0,0|1,0,0]=3 16076 B12R0.72 CCOC(=O)CCNCC(F)(F)F 34a_100000717047_100000765890 [0,2,0,0,0,0|2,0,0]=4 16077 B12R0.72 CCOC(=O)CCOCC(C)(C)F 34a_100000716592_100000765890 [0,2,0,0,0,0|1,0,0]=3 16078 B12R0.72 CCOC(=O)CCOCC(C)(F)F 34a_100000068830_100000765890 [0,2,0,0,0,0|1,0,0]=3 16079 B12R0.72 CCOC(=O)CCOCC(F)(F)Br 34a_100011217949_100000765890 [0,2,0,0,0,0|2,0,0]=4 16080 B12R0.72 CCOC(=O)CCOCC(F)(F)Cl 34a_100000734434_100000765890 [0,2,0,0,0,0|2,0,0]=4 16081 B12R0.72 CCOC(=O)CCOCC(F)(F)F 34a_100000210435_100000765890 [0,2,0,0,0,0|2,0,0]=4 16082 B12R0.72 CCOC(=O)CCSCC(C)(C)C 62a_100000765890_100011219605 [0,2,0,0,0,0|1,0,0]=3 16083 B12R0.72 CCOC(=O)CCSCC(C)(C)C 62a_100011219605_100000765890 [0,2,0,0,0,0|1,0,0]=3 16084 B12R0.72 CCOC(=O)CCSCC(C)(C)F 62a_100000765890_100011997219 [0,2,0,0,0,0|1,0,0]=3 16085 B12R0.72 CCOC(=O)CCSCC(C)(C)F 62a_100011997219_100000765890 [0,2,0,0,0,0|1,0,0]=3 16086 B12R0.72 CCOC(=O)CCSCC(C)(C)O 62a_100000764493_100000765890 [0,2,0,0,0,0|1,0,0]=3 16087 B12R0.72 CCOC(=O)CCSCC(C)(C)O 62a_100000765890_100000764493 [0,2,0,0,0,0|1,0,0]=3 16088 B12R0.72 CCOC(=O)CCSCC(F)(F)F 62a_100000763148_100000765890 [0,2,0,0,0,0|2,0,0]=4 16089 B12R0.72 CCOC(=O)CCSCC(F)(F)F 62a_100000765890_100000763148 [0,2,0,0,0,0|2,0,0]=4 16090 B12R0.72 CCOC(=O)CCSC[N+](C)(C)C 62a_100000765890_200000036245 [0,2,0,0,0,0|2,0,0]=4 16091 B12R0.72 CCOC(=O)CCSC[N+](C)(C)C 62a_200000036245_100000765890 [0,2,0,0,0,0|2,0,0]=4 16092 B12R0.72 CCOC(=O)CCSC[Si](C)(C)C 62a_100000037933_100000765890 [0,2,0,0,0,0|1,1,0]=4 16093 B12R0.72 CCOC(=O)CCSC[Si](C)(C)C 62a_100000765890_100000037933 [0,2,0,0,0,0|1,1,0]=4 16094 B12R0.72 CCOC(=O)CNCCC(C)(C)C 2230a_100000738805_100000188475 [0,2,0,0,0,0|1,0,0]=3 16095 B12R0.72 CCOC(=O)CNCCC(C)(C)F 2230a_100016253952_100000188475 [0,2,0,0,0,0|1,0,0]=3 16096 B12R0.72 CCOC(=O)CNCCC(F)(F)F 2230a_100000740434_100000188475 [0,2,0,0,0,0|2,0,0]=4 16097 B12R0.72 CCOC(=O)CNCCC(F)(F)F 34a_100000740434_100000188475 [0,2,0,0,0,0|2,0,0]=4 16098 B12R0.72 CCOC(=O)CNCCS(=O)(=O)C 2230a_100000740961_100000188475 [0,2,0,0,0,0|2,0,0]=4 16099 B12R0.72 CCOC(=O)CNCCS(=O)(=O)C 34a_100000740961_100000188475 [0,2,0,0,0,0|2,0,0]=4 16100 B12R0.72 CCOC(=O)COCCC(C)(C)C 7a_100000765024_100000188475 [0,2,0,0,0,0|1,0,0]=3 16101 B12R0.72 CCOC(=O)COCCC(F)(F)F 34a_100000752437_100000188475 [0,2,0,0,0,0|2,0,0]=4 16102 B12R0.72 CCOC(=O)COCCS(=O)(=O)C 34a_100000211924_100000188475 [0,2,0,0,0,0|2,0,0]=4 16103 B12R0.72 CCOC(=O)COCCS(=O)(=O)C 7a_100000211924_100000188475 [0,2,0,0,0,0|2,0,0]=4 16104 B12R0.72 CCOC(=O)COCC[N+](C)(C)C 7a_200020618287_100000188475 [0,2,0,0,0,0|2,0,0]=4 16105 B12R0.72 CCOC(=O)COCC[Si](C)(C)C 7a_100000039746_100000188475 [0,2,0,0,0,0|1,1,0]=4 16106 B12R0.72 CCOC(=O)CSCCC(C)(C)C 62a_100000188475_100000755188 [0,2,0,0,0,0|1,0,0]=3 16107 B12R0.72 CCOC(=O)CSCCC(C)(C)C 62a_100000755188_100000188475 [0,2,0,0,0,0|1,0,0]=3 16108 B12R0.72 CCOC(=O)CSCCC(C)(C)O 62a_100000188475_100000702414 [0,2,0,0,0,0|1,0,0]=3 16109 B12R0.72 CCOC(=O)CSCCC(C)(C)O 62a_100000702414_100000188475 [0,2,0,0,0,0|1,0,0]=3 16110 B12R0.72 CCOC(=O)CSCCC(F)(F)F 62a_100000188475_100011219754 [0,2,0,0,0,0|2,0,0]=4 16111 B12R0.72 CCOC(=O)CSCCC(F)(F)F 62a_100011219754_100000188475 [0,2,0,0,0,0|2,0,0]=4 16112 B12R0.72 CCOC(=O)CSCCS(=O)(=O)C 62a_100000188475_100000230027 [0,2,0,0,0,0|2,0,0]=4 16113 B12R0.72 CCOC(=O)CSCCS(=O)(=O)C 62a_100000731031_100000188475 [0,2,0,0,0,0|2,0,0]=4 16114 B12R0.72 CCOC(=O)CSCC[N+](C)(C)C 62a_100000085578_100000188475 [0,2,0,0,0,0|2,0,0]=4 16115 B12R0.72 CCOC(=O)CSCC[N+](C)(C)C 62a_100000188475_100000085578 [0,2,0,0,0,0|2,0,0]=4 16116 B12R0.72 CCOC(=O)CSCC[Si](C)(C)C 62a_100000188475_200000733723 [0,2,0,0,0,0|1,1,0]=4 16117 B12R0.72 CCOC(=O)CSCC[Si](C)(C)C 62a_200000733723_100000188475 [0,2,0,0,0,0|1,1,0]=4 16118 B12R0.72 CCOC(=O)NCCOC(C)(C)C 34a_100000158857_100000210625 [0,2,0,0,0,0|2,0,0]=4 16119 B12R0.72 CCOC(=O)NCCOC(C)(C)C 7a_100015890283_200011445536 [0,2,0,0,0,0|2,0,0]=4 16120 B12R0.72 CCOC(=O)NCCSC(C)(C)C 62a_100000211941_200011445536 [0,2,0,0,0,0|2,0,0]=4 16121 B12R0.72 CCOC(=O)OCSCC(C)(C)C 62a_100011219605_100000075025 [0,2,0,0,0,0|2,0,0]=4 16122 B12R0.72 CCOC(=O)OCSCC(C)(C)F 62a_100011997219_100000075025 [0,2,0,0,0,0|2,0,0]=4 16123 B12R0.72 CCOC(=O)OCSCC(C)(C)O 62a_100000764493_100000075025 [0,2,0,0,0,0|2,0,0]=4 16124 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 16125 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,0]=3 16126 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16127 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16128 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|2,0,0]=4 16129 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [1,0,0,1,0,0|1,0,1]=4 16130 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 16131 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 16132 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [1,0,0,1,0,0|2,0,0]=4 16133 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [1,0,0,1,0,0|2,0,0]=4 16134 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [1,0,0,1,0,0|2,0,0]=4 16135 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [1,0,0,1,0,0|2,0,0]=4 16136 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 16137 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [1,0,0,1,0,0|1,0,1]=4 16138 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [1,0,0,1,0,0|1,0,1]=4 16139 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|1,0,0]=3 16140 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|1,0,0]=3 16141 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [1,0,0,1,0,0|2,0,0]=4 16142 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|2,0,0]=4 16143 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|2,0,0]=4 16144 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [1,0,0,1,0,0|2,0,0]=4 16145 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [1,0,0,1,0,0|2,0,0]=4 16146 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,1,0,0|2,0,0]=4 16147 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 16148 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 16149 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 16150 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 16151 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 16152 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 16153 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 16154 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 16155 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 16156 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 16157 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 16158 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 16159 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 16160 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 16161 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [1,0,0,1,0,0|1,0,1]=4 16162 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [1,0,0,1,0,0|1,0,1]=4 16163 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [1,0,0,1,0,0|2,0,0]=4 16164 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [1,0,0,1,0,0|2,0,0]=4 16165 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [1,0,0,1,0,0|2,0,0]=4 16166 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [1,0,0,1,0,0|2,0,0]=4 16167 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,0,0,1,0,0|2,0,0]=4 16168 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,0,0,1,0,0|2,0,0]=4 16169 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|2,0,0]=4 16170 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|2,0,0]=4 16171 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|2,0,0]=4 16172 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|2,0,0]=4 16173 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|2,0,0]=4 16174 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 16175 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 16176 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|2,0,0]=4 16177 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|2,0,0]=4 16178 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|1,0,0]=3 16179 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,1,0,0|2,0,0]=4 16180 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|2,0,0]=4 16181 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|2,0,0]=4 16182 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|1,0,0]=3 16183 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|1,0,0]=3 16184 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|2,0,0]=4 16185 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [1,0,0,1,0,0|2,0,0]=4 16186 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [1,0,0,1,0,0|2,0,0]=4 16187 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [1,0,0,1,0,0|2,0,0]=4 16188 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [1,0,0,1,0,0|2,0,0]=4 16189 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [1,0,0,1,0,0|2,0,0]=4 16190 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [1,0,0,1,0,0|2,0,0]=4 16191 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [1,0,0,1,0,0|2,0,0]=4 16192 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [1,0,0,1,0,0|2,0,0]=4 16193 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 16194 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [1,0,0,1,0,0|2,0,0]=4 16195 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [1,0,0,1,0,0|2,0,0]=4 16196 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [1,0,0,1,0,0|2,0,0]=4 16197 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 16198 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|1,0,1]=4 16199 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|1,0,1]=4 16200 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|1,0,1]=4 16201 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [1,0,0,1,0,0|2,0,0]=4 16202 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [1,0,0,1,0,0|2,0,0]=4 16203 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [1,0,0,1,0,0|2,0,0]=4 16204 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|1,0,0]=3 16205 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 16206 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 16207 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 16208 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [1,0,0,1,0,0|1,0,1]=4 16209 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [1,0,0,1,0,0|1,0,1]=4 16210 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|1,0,0]=3 16211 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|1,0,0]=3 16212 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|2,0,0]=4 16213 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [1,0,0,1,0,0|2,0,0]=4 16214 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [1,0,0,1,0,0|2,0,0]=4 16215 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [1,0,0,1,0,0|2,0,0]=4 16216 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [1,0,0,1,0,0|2,0,0]=4 16217 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [1,0,0,1,0,0|2,0,0]=4 16218 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [1,0,0,1,0,0|2,0,0]=4 16219 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [1,0,0,1,0,0|2,0,0]=4 16220 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 16221 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 16222 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 16223 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [1,0,0,1,0,0|2,0,0]=4 16224 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [1,0,0,1,0,0|2,0,0]=4 16225 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 16226 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 16227 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 16228 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 16229 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 16230 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [1,0,0,1,0,0|1,0,0]=3 16231 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [1,0,0,1,0,0|2,0,0]=4 16232 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [1,0,0,1,0,0|2,0,0]=4 16233 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [1,0,0,1,0,0|2,0,0]=4 16234 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [1,0,0,1,0,0|2,0,0]=4 16235 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [1,0,0,1,0,0|2,0,0]=4 16236 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [1,0,0,1,0,0|2,0,0]=4 16237 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [1,0,0,1,0,0|1,0,1]=4 16238 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [1,0,0,1,0,0|1,0,1]=4 16239 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|1,0,0]=3 16240 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|1,0,0]=3 16241 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [1,0,0,1,0,0|2,0,0]=4 16242 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [1,0,0,1,0,0|2,0,0]=4 16243 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [1,0,0,1,0,0|2,0,0]=4 16244 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [1,0,0,1,0,0|2,0,0]=4 16245 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [1,0,0,1,0,0|2,0,0]=4 16246 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [1,0,0,1,0,0|2,0,0]=4 16247 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 16248 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 16249 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 16250 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [1,0,0,1,0,0|2,0,0]=4 16251 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [1,0,0,1,0,0|2,0,0]=4 16252 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 16253 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 16254 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 16255 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 16256 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 16257 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 16258 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [1,0,0,1,0,0|1,0,0]=3 16259 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [1,0,0,1,0,0|1,0,0]=3 16260 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [1,0,0,1,0,0|2,0,0]=4 16261 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [1,0,0,1,0,0|2,0,0]=4 16262 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [1,0,0,1,0,0|2,0,0]=4 16263 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [1,0,0,1,0,0|2,0,0]=4 16264 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [1,0,0,1,0,0|2,0,0]=4 16265 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [1,0,0,1,0,0|2,0,0]=4 16266 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [1,0,0,1,0,0|2,0,0]=4 16267 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [1,0,0,1,0,0|2,0,0]=4 16268 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [1,0,0,1,0,0|2,0,0]=4 16269 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 16270 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 16271 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|1,0,0]=3 16272 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [1,0,0,1,0,0|2,0,0]=4 16273 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [1,0,0,1,0,0|2,0,0]=4 16274 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [1,0,0,1,0,0|2,0,0]=4 16275 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [1,0,0,1,0,0|2,0,0]=4 16276 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [1,0,0,1,0,0|2,0,0]=4 16277 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [1,0,0,1,0,0|2,0,0]=4 16278 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [1,0,0,1,0,0|2,0,0]=4 16279 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [1,0,0,1,0,0|2,0,0]=4 16280 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [1,0,0,1,0,0|2,0,0]=4 16281 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [1,0,0,1,0,0|2,0,0]=4 16282 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [1,0,0,1,0,0|2,0,0]=4 16283 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [1,0,0,1,0,0|2,0,0]=4 16284 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [1,0,0,1,0,0|2,0,0]=4 16285 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [1,0,0,1,0,0|2,0,0]=4 16286 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [1,0,0,1,0,0|2,0,0]=4 16287 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [1,0,0,1,0,0|2,0,0]=4 16288 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [1,0,0,1,0,0|1,0,1]=4 16289 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [1,0,0,1,0,0|1,0,1]=4 16290 B10R1.4 CC1CCCCC1OCF 34a_100000211207_100015361967 [1,0,0,1,0,0|1,0,1]=4 16291 B10R1.4 CC1CCCCC1OCF 7a_100000211207_100015361967 [1,0,0,1,0,0|1,0,1]=4 16292 B10R1.4 CCCN1CCCCC1C 2230a_100000211376_100000210303 [1,0,0,1,0,0|2,0,0]=4 16293 B10R1.4 CCCN1CCCCC1C 269982a_100000211376_100000210303 [1,0,0,1,0,0|2,0,0]=4 16294 B10R1.4 CCCN1CCCCC1C 34a_100000211376_100000210303 [1,0,0,1,0,0|2,0,0]=4 16295 B10R1.4 CCNC1CCCCC1C 2230a_100000211402_100000210202 [1,0,0,1,0,0|1,0,1]=4 16296 B10R1.4 CCNC1CCCCC1C 269862a_100015525214_100000210921 [1,0,0,1,0,0|1,0,1]=4 16297 B10R1.4 CCNC1CCCCC1C 270004a_100015525214_100000210921 [1,0,0,1,0,0|1,0,1]=4 16298 B10R1.4 CCNC1CCCCC1C 34a_100000211402_100000210202 [1,0,0,1,0,0|1,0,1]=4 16299 B10R1.4 CCOC1CCCCC1C 34a_100000211207_100000210202 [1,0,0,1,0,0|0,0,1]=3 16300 B10R1.4 CCOC1CCCCC1C 7a_100000211207_100000210202 [1,0,0,1,0,0|0,0,1]=3 16301 B10R1.4 CCOC1CCCCC1Cl 34a_100000038908_100000210202 [1,0,0,1,0,0|1,0,1]=4 16302 B10R1.4 CCOC1CCCCC1Cl 7a_100000038908_100000210202 [1,0,0,1,0,0|1,0,1]=4 16303 B10R1.4 CCOC1CCCCC1F 34a_100121572206_100015423560 [1,0,0,1,0,0|1,0,1]=4 16304 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [1,0,0,1,0,0|1,0,1]=4 16305 B10R1.4 CCOC1CCNCC1C 34a_100011998114_100000210202 [1,0,0,1,0,0|1,0,1]=4 16306 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [1,0,0,1,0,0|1,0,1]=4 16307 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000210202 [1,0,0,1,0,0|1,0,1]=4 16308 B10R1.4 CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000210202 [1,0,0,1,0,0|1,0,1]=4 16309 B10R1.4 CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000210202 [1,0,0,1,0,0|1,0,1]=4 16310 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [1,0,0,1,0,0|2,0,0]=4 16311 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [1,0,0,1,0,0|2,0,0]=4 16312 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [1,0,0,1,0,0|2,0,0]=4 16313 B10R1.5 CCNC1CCCC1CC 269862a_100015525214_100000749056 [1,0,0,1,0,0|1,0,1]=4 16314 B10R1.5 CCNC1CCCC1CC 270004a_100015525214_100000749056 [1,0,0,1,0,0|1,0,1]=4 16315 B10R1.17 CCCCN1CC=CCC1 2230a_100000698166_100000210211 [1,0,0,1,0,0|2,0,0]=4 16316 B10R1.17 CCCCN1CC=CCC1 269982a_100000698166_100000210211 [1,0,0,1,0,0|2,0,0]=4 16317 B10R1.17 CCCCN1CC=CCC1 34a_100000698166_100000210210 [1,0,0,1,0,0|2,0,0]=4 16318 B10R1.17 CCCCN1CCOCC1 2230a_100015191051_100000210211 [1,0,0,1,0,0|1,0,1]=4 16319 B10R1.17 CCCCN1CCOCC1 269982a_100015191051_100000210211 [1,0,0,1,0,0|1,0,1]=4 16320 B10R1.17 CCCCN1CCOCC1 34a_100015191051_100000210210 [1,0,0,1,0,0|1,0,1]=4 16321 B10R1.17 CCCNC1CCCCC1 2230a_100000182618_100000210303 [1,0,0,1,0,0|2,0,0]=4 16322 B10R1.17 CCCNC1CCCCC1 270004a_100020643023_100000210434 [1,0,0,1,0,0|2,0,0]=4 16323 B10R1.17 CCCNC1CCCCC1 34a_100000182618_100000210303 [1,0,0,1,0,0|2,0,0]=4 16324 B10R1.17 CCCNC1CCOCC1 2230a_100000741149_100000210303 [1,0,0,1,0,0|1,0,1]=4 16325 B10R1.17 CCCNC1CCOCC1 270004a_100020643023_100011217826 [1,0,0,1,0,0|1,0,1]=4 16326 B10R1.17 CCCNC1CCOCC1 34a_100000741149_100000210303 [1,0,0,1,0,0|1,0,1]=4 16327 B10R1.17 CCCOC1CC=CCC1 34a_100000073881_100000210303 [1,0,0,1,0,0|2,0,0]=4 16328 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,0,0,1,0,0|2,0,0]=4 16329 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,0,0,1,0,0|2,0,0]=4 16330 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,0,0,1,0,0|2,0,0]=4 16331 B10R1.17 CCCOC1CCOCC1 34a_100000744328_100000210303 [1,0,0,1,0,0|1,0,1]=4 16332 B10R1.17 CCCSC1CCCCC1 62a_100000210303_100000210327 [1,0,0,1,0,0|2,0,0]=4 16333 B10R1.17 CCCSC1CCCCC1 62a_100000210327_100000210303 [1,0,0,1,0,0|2,0,0]=4 16334 B10R1.17 CCCSC1CCOCC1 62a_100000210303_100011324220 [1,0,0,1,0,0|1,0,1]=4 16335 B10R1.17 CCNCC1CC=CCC1 270004a_100015525214_100000189434 [1,0,0,1,0,0|2,0,0]=4 16336 B10R1.17 CCNCC1CCCCC1 2230a_100000210473_100000210202 [1,0,0,1,0,0|1,0,1]=4 16337 B10R1.17 CCNCC1CCCCC1 2230a_100015525214_100000211423 [1,0,0,1,0,0|1,0,1]=4 16338 B10R1.17 CCNCC1CCCCC1 269862a_100015525214_100000211278 [1,0,0,1,0,0|1,0,1]=4 16339 B10R1.17 CCNCC1CCCCC1 34a_100000210473_100000210202 [1,0,0,1,0,0|1,0,1]=4 16340 B10R1.17 CCNCC1CCOCC1 2230a_100000746373_100000210202 [1,0,0,1,0,0|1,0,1]=4 16341 B10R1.17 CCNCC1CCOCC1 2230a_100015525214_100000754603 [1,0,0,1,0,0|1,0,1]=4 16342 B10R1.17 CCNCC1CCOCC1 269862a_100015525214_100000749017 [1,0,0,1,0,0|1,0,1]=4 16343 B10R1.17 CCNCC1CCOCC1 34a_100000746373_100000210202 [1,0,0,1,0,0|1,0,1]=4 16344 B10R1.17 CCOCC1CC=CCC1 34a_100000210713_100000210202 [1,0,0,1,0,0|2,0,0]=4 16345 B10R1.17 CCOCC1CCCCC1 34a_100000212181_100000210202 [1,0,0,1,0,0|0,0,1]=3 16346 B10R1.17 CCOCC1CCCCC1 34a_100121572206_100000211423 [1,0,0,1,0,0|0,0,1]=3 16347 B10R1.17 CCOCC1CCCCC1 7a_100000212181_100000210202 [1,0,0,1,0,0|0,0,1]=3 16348 B10R1.17 CCOCC1CCCCN1 34a_100000210821_100000210202 [1,0,0,1,0,0|1,0,1]=4 16349 B10R1.17 CCOCC1CCCCO1 34a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 16350 B10R1.17 CCOCC1CCCCO1 34a_100121572206_100000211543 [1,0,0,1,0,0|1,0,1]=4 16351 B10R1.17 CCOCC1CCCCO1 7a_100000211370_100000210202 [1,0,0,1,0,0|1,0,1]=4 16352 B10R1.17 CCOCC1CCCNC1 34a_100000211344_100000210202 [1,0,0,1,0,0|1,0,1]=4 16353 B10R1.17 CCOCC1CCCOC1 34a_100000741520_100000210202 [1,0,0,1,0,0|1,0,1]=4 16354 B10R1.17 CCOCC1CCCOC1 34a_100121572206_100000741521 [1,0,0,1,0,0|1,0,1]=4 16355 B10R1.17 CCOCC1CCNCC1 34a_100000738675_100000210202 [1,0,0,1,0,0|1,0,1]=4 16356 B10R1.17 CCOCC1CCOCC1 34a_100000749013_100000210202 [1,0,0,1,0,0|1,0,1]=4 16357 B10R1.17 CCOCC1CCOCC1 34a_100121572206_100000754603 [1,0,0,1,0,0|1,0,1]=4 16358 B10R1.17 CCOCC1CCSCC1 34a_100000070558_100000210202 [1,0,0,1,0,0|1,0,1]=4 16359 B10R1.17 CCOCC1CCSCC1 7a_100000070558_100000210202 [1,0,0,1,0,0|1,0,1]=4 16360 B10R1.17 CCSCC1CCCCC1 62a_100000210202_100000211423 [1,0,0,1,0,0|0,1,1]=4 16361 B10R1.17 CCSCC1CCCCC1 62a_100000211423_100000210202 [1,0,0,1,0,0|0,1,1]=4 16362 B10R1.17 CCSCC1CCOCC1 62a_100000210202_100000749018 [1,0,0,1,0,0|1,0,1]=4 16363 B10R1.17 CCSCC1CCOCC1 62a_100000754603_100000210202 [1,0,0,1,0,0|1,0,1]=4 16364 B10R1.17 CNCCC1CCOCC1 2230a_100000755988_200000210301 [1,0,0,1,0,0|1,0,1]=4 16365 B10R1.17 CNCCC1CCOCC1 2230a_106832991635_100011934994 [1,0,0,1,0,0|1,0,1]=4 16366 B10R1.17 CNCCC1CCOCC1 34a_100000755988_200000210301 [1,0,0,1,0,0|1,0,1]=4 16367 B10R1.17 CNCCC1CCOCC1 34a_100102657272_100011934994 [1,0,0,1,0,0|1,0,1]=4 16368 B10R1.17 CNCCC1CCOCC1 7a_106832991635_100011934994 [1,0,0,1,0,0|1,0,1]=4 16369 B10R1.17 COCCC1CCOCC1 34a_100011933979_200000210301 [1,0,0,1,0,0|1,0,1]=4 16370 B10R1.17 COCCC1CCOCC1 34a_100138415774_100011934994 [1,0,0,1,0,0|1,0,1]=4 16371 B10R1.17 COCCC1CCOCC1 7a_100011933979_200000210301 [1,0,0,1,0,0|1,0,1]=4 16372 B10R1.17 CSCCC1CCOCC1 62a_100011934994_200000210301 [1,0,0,1,0,0|1,0,1]=4 16373 B10R1.17 CSCCC1CCOCC1 62a_200000210301_100011934994 [1,0,0,1,0,0|1,0,1]=4 16374 B10R1.17 FCOCC1CCCCC1 34a_100000212181_100015361967 [1,0,0,1,0,0|1,0,1]=4 16375 B10R1.17 FCOCC1CCCCC1 7a_100000212181_100015361967 [1,0,0,1,0,0|1,0,1]=4 16376 B10R1.17 [13CH3]NCCC1CCOCC1 2230a_100000755988_200025704644 [1,0,0,1,0,0|1,0,1]=4 16377 B10R1.17 [13CH3]NCCC1CCOCC1 34a_100000755988_200025704644 [1,0,0,1,0,0|1,0,1]=4 16378 B10R1.17 [13CH3]OCCC1CCOCC1 34a_100011933979_200025704644 [1,0,0,1,0,0|1,0,1]=4 16379 B10R1.17 [13CH3]OCCC1CCOCC1 7a_100011933979_200025704644 [1,0,0,1,0,0|1,0,1]=4 16380 B10R1.17 [13CH3]SCCC1CCOCC1 62a_100011934994_200025704644 [1,0,0,1,0,0|1,0,1]=4 16381 B10R1.17 [13CH3]SCCC1CCOCC1 62a_200025704644_100011934994 [1,0,0,1,0,0|1,0,1]=4 16382 B10R1.20 CCC1CCCCN1CC 2230a_100000210034_100000210202 [1,0,0,1,0,0|1,0,1]=4 16383 B10R1.20 CCC1CCCCN1CC 269982a_100000210034_100000204670 [1,0,0,1,0,0|1,0,1]=4 16384 B10R1.20 CCC1CCCCN1CC 34a_100000210034_100000210202 [1,0,0,1,0,0|1,0,1]=4 16385 B10R1.37 CC/C=C\CN1CCC1C 269982a_100000755817_100103147603 [1,0,0,1,0,0|2,0,0]=4 16386 B10R1.37 CC/C=C\CN1CCC1C 34a_100000755817_100103147603 [1,0,0,1,0,0|2,0,0]=4 16387 B10R1.37 CCOCCN1CCC1C 269982a_100000755817_100011215890 [1,0,0,1,0,0|1,0,1]=4 16388 B10R1.37 CCOCCN1CCC1C 34a_100000755817_100000210147 [1,0,0,1,0,0|1,0,1]=4 16389 B10R1.57 CC/C=C\CCN1CCC1 269982a_100000754969_100015370543 [1,0,0,1,0,0|2,0,0]=4 16390 B10R1.57 CC/C=C\CNC1CCC1 2230a_100000749019_100103147603 [1,0,0,1,0,0|2,0,0]=4 16391 B10R1.57 CC/C=C\CNC1CCC1 34a_100000749019_100103147603 [1,0,0,1,0,0|2,0,0]=4 16392 B10R1.57 CC/C=C\COC1CCC1 34a_100000748187_100103147603 [1,0,0,1,0,0|2,0,0]=4 16393 B10R1.57 CC/C=C\COC1CCC1 34a_100016268518_100000749161 [1,0,0,1,0,0|2,0,0]=4 16394 B10R1.57 CC/C=C\CSC1CCC1 62a_100103147603_100000749161 [1,0,0,1,0,0|2,0,0]=4 16395 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [1,0,0,1,0,0|2,0,0]=4 16396 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [1,0,0,1,0,0|1,0,1]=4 16397 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [1,0,0,1,0,0|1,0,1]=4 16398 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [1,0,0,1,0,0|1,0,1]=4 16399 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [1,0,0,1,0,0|1,0,1]=4 16400 B10R1.57 CCCCOCC1CCO1 34a_100000039022_100000210210 [1,0,0,1,0,0|1,0,1]=4 16401 B10R1.57 CCCCOCC1CCO1 34a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 16402 B10R1.57 CCCCOCC1CCO1 7a_100000210227_100000103362 [1,0,0,1,0,0|1,0,1]=4 16403 B10R1.57 CCCCSCC1CCO1 62a_100000103362_100000210210 [1,0,0,1,0,0|1,0,1]=4 16404 B10R1.57 CCCCSCC1CCO1 62a_100000210211_100000103362 [1,0,0,1,0,0|1,0,1]=4 16405 B10R1.57 CCOCCCN1CCC1 269982a_100000754969_100012232248 [1,0,0,1,0,0|1,0,1]=4 16406 B10R1.57 CCOCCNC1CCC1 2230a_100000749019_100011215890 [1,0,0,1,0,0|1,0,1]=4 16407 B10R1.57 CCOCCNC1CCC1 270004a_102516460346_100000241760 [1,0,0,1,0,0|1,0,1]=4 16408 B10R1.57 CCOCCNC1CCC1 34a_100000749019_100000210147 [1,0,0,1,0,0|1,0,1]=4 16409 B10R1.57 CCOCCNC1CCC1 34a_102516460346_100000749161 [1,0,0,1,0,0|1,0,1]=4 16410 B10R1.57 CCOCCOC1CCC1 34a_100000210136_100000749161 [1,0,0,1,0,0|1,0,1]=4 16411 B10R1.57 CCOCCOC1CCC1 34a_100000748187_100000210147 [1,0,0,1,0,0|1,0,1]=4 16412 B10R1.57 CCOCCSC1CCC1 62a_100000210147_100000749161 [1,0,0,1,0,0|1,0,1]=4 16413 B10R1.57 CCOCSCC1CCC1 62a_100000739092_100000763275 [1,0,0,1,0,0|1,0,1]=4 16414 B10R1.57 CCOCSCC1CCC1 62a_100000763275_100000739092 [1,0,0,1,0,0|1,0,1]=4 16415 B10R1.161 CCN1CCCCCCC1 2230a_100000211400_100000210202 [1,0,0,1,0,0|1,0,1]=4 16416 B10R1.161 CCN1CCCCCCC1 269982a_100000211400_100000204670 [1,0,0,1,0,0|1,0,1]=4 16417 B10R1.161 CCN1CCCCCCC1 34a_100000211400_100000210202 [1,0,0,1,0,0|1,0,1]=4 16418 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [1,0,0,1,0,0|2,0,0]=4 16419 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [1,0,0,1,0,0|2,0,0]=4 16420 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [1,0,0,1,0,0|2,0,0]=4 16421 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [1,0,0,1,0,0|2,0,0]=4 16422 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [1,0,0,1,0,0|2,0,0]=4 16423 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [1,0,0,1,0,0|2,0,0]=4 16424 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [1,0,0,1,0,0|2,0,0]=4 16425 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [1,0,0,1,0,0|2,0,0]=4 16426 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [1,0,0,1,0,0|2,0,0]=4 16427 B10R1.177 CC/C=C\CCNC1CC1 34a_100000212008_100015370543 [1,0,0,1,0,0|2,0,0]=4 16428 B10R1.177 CC/C=C\CCOC1CC1 34a_100016288707_100000211595 [1,0,0,1,0,0|2,0,0]=4 16429 B10R1.177 CC/C=C\CCSC1CC1 62a_100015370543_100000211595 [1,0,0,1,0,0|2,0,0]=4 16430 B10R1.177 CC/C=C\CNCC1CC1 2230a_100000735609_100103147603 [1,0,0,1,0,0|2,0,0]=4 16431 B10R1.177 CC/C=C\CNCC1CC1 34a_100000735609_100103147603 [1,0,0,1,0,0|2,0,0]=4 16432 B10R1.177 CC/C=C\COCC1CC1 34a_100000211283_100103147603 [1,0,0,1,0,0|2,0,0]=4 16433 B10R1.177 CC/C=C\COCC1CC1 34a_100016268518_100000742324 [1,0,0,1,0,0|2,0,0]=4 16434 B10R1.177 CC/C=C\CSCC1CC1 62a_100000756562_100103147603 [1,0,0,1,0,0|2,0,0]=4 16435 B10R1.177 CC/C=C\CSCC1CC1 62a_100103147603_100000742324 [1,0,0,1,0,0|2,0,0]=4 16436 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [1,0,0,1,0,0|2,0,0]=4 16437 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|2,0,0]=4 16438 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [1,0,0,1,0,0|2,0,0]=4 16439 B10R1.177 CCOCCCNC1CC1 34a_100000210961_100000211595 [1,0,0,1,0,0|1,0,1]=4 16440 B10R1.177 CCOCCCNC1CC1 34a_100000212008_100012232248 [1,0,0,1,0,0|1,0,1]=4 16441 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [1,0,0,1,0,0|1,0,1]=4 16442 B10R1.177 CCOCCCSC1CC1 62a_100012232248_100000211595 [1,0,0,1,0,0|1,0,1]=4 16443 B10R1.177 CCOCCNCC1CC1 2230a_100000735609_100011215890 [1,0,0,1,0,0|1,0,1]=4 16444 B10R1.177 CCOCCNCC1CC1 2230a_102516460346_100000742324 [1,0,0,1,0,0|1,0,1]=4 16445 B10R1.177 CCOCCNCC1CC1 269862a_100011200944_100000741477 [1,0,0,1,0,0|1,0,1]=4 16446 B10R1.177 CCOCCNCC1CC1 34a_100000735609_100000210147 [1,0,0,1,0,0|1,0,1]=4 16447 B10R1.177 CCOCCNCC1CC1 34a_102516460346_100000742324 [1,0,0,1,0,0|1,0,1]=4 16448 B10R1.177 CCOCCOCC1CC1 34a_100000210136_100000742324 [1,0,0,1,0,0|1,0,1]=4 16449 B10R1.177 CCOCCOCC1CC1 34a_100000211283_100000210147 [1,0,0,1,0,0|1,0,1]=4 16450 B10R1.177 CCOCCOCC1CC1 7a_100000210136_100000742324 [1,0,0,1,0,0|1,0,1]=4 16451 B10R1.177 CCOCCSCC1CC1 62a_100000210147_100000742324 [1,0,0,1,0,0|1,0,1]=4 16452 B10R1.177 CCOCCSCC1CC1 62a_100000756562_100011215890 [1,0,0,1,0,0|1,0,1]=4 16453 B10R1.177 CCOCSCCC1CC1 62a_100000739092_100000764125 [1,0,0,1,0,0|1,0,1]=4 16454 B10R1.177 CCOCSCCC1CC1 62a_100000764125_100000739092 [1,0,0,1,0,0|1,0,1]=4 16455 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [1,0,0,1,0,0|2,0,0]=4 16456 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [1,0,0,1,0,0|2,0,0]=4 16457 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [1,0,0,1,0,0|2,0,0]=4 16458 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [1,0,0,1,0,0|2,0,0]=4 16459 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [1,0,0,1,0,0|2,0,0]=4 16460 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [1,0,0,1,0,0|2,0,0]=4 16461 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 16462 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 16463 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [1,0,0,1,0,0|2,0,0]=4 16464 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 16465 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 16466 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [1,0,0,1,0,0|2,0,0]=4 16467 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [1,0,0,1,0,0|2,0,0]=4 16468 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [1,0,0,1,0,0|2,0,0]=4 16469 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 16470 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [1,0,0,1,0,0|2,0,0]=4 16471 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [1,0,0,1,0,0|1,0,0]=3 16472 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [1,0,0,1,0,0|1,0,0]=3 16473 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [1,0,0,1,0,0|2,0,0]=4 16474 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [1,0,0,1,0,0|1,0,0]=3 16475 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [1,0,0,1,0,0|2,0,0]=4 16476 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [1,0,0,1,0,0|2,0,0]=4 16477 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [1,0,0,1,0,0|1,0,0]=3 16478 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [1,0,0,1,0,0|2,0,0]=4 16479 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [1,0,0,1,0,0|2,0,0]=4 16480 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [1,0,0,1,0,0|2,0,0]=4 16481 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [1,0,0,1,0,0|0,0,2]=4 16482 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [1,0,0,1,0,0|0,0,2]=4 16483 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [1,0,0,1,0,0|1,0,1]=4 16484 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [1,0,0,1,0,0|1,0,1]=4 16485 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [1,0,0,1,0,0|0,0,2]=4 16486 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [1,0,0,1,0,0|0,0,2]=4 16487 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [1,0,0,1,0,0|0,0,0]=2 16488 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [1,0,0,1,0,0|0,0,0]=2 16489 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [1,0,0,1,0,0|1,0,0]=3 16490 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [1,0,0,1,0,0|1,0,0]=3 16491 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [1,0,0,1,0,0|1,0,0]=3 16492 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [1,0,0,1,0,0|1,0,0]=3 16493 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [1,0,0,1,0,0|1,0,0]=3 16494 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [1,0,0,1,0,0|1,0,0]=3 16495 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [1,0,0,1,0,0|2,0,0]=4 16496 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [1,0,0,1,0,0|2,0,0]=4 16497 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [1,0,0,1,0,0|2,0,0]=4 16498 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [1,0,0,1,0,0|2,0,0]=4 16499 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 16500 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 16501 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 16502 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [1,0,0,1,0,0|2,0,0]=4 16503 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 16504 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 16505 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [1,0,0,1,0,0|2,0,0]=4 16506 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [1,0,0,1,0,0|0,0,2]=4 16507 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 16508 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [1,0,0,1,0,0|2,0,0]=4 16509 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 16510 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [1,0,0,1,0,0|2,0,0]=4 16511 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [1,0,0,1,0,0|2,0,0]=4 16512 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [1,0,0,1,0,0|2,0,0]=4 16513 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [1,0,0,1,0,0|2,0,0]=4 16514 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 16515 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 16516 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [1,0,0,1,0,0|2,0,0]=4 16517 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [1,0,0,1,0,0|1,0,0]=3 16518 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 16519 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 16520 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [1,0,0,1,0,0|1,0,0]=3 16521 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [1,0,0,1,0,0|2,0,0]=4 16522 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 16523 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 16524 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [1,0,0,1,0,0|2,0,0]=4 16525 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [1,0,0,1,0,0|2,0,0]=4 16526 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 16527 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 16528 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [1,0,0,1,0,0|2,0,0]=4 16529 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [1,0,0,1,0,0|2,0,0]=4 16530 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 16531 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 16532 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [1,0,0,1,0,0|2,0,0]=4 16533 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [1,0,0,1,0,0|2,0,0]=4 16534 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 16535 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 16536 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [1,0,0,1,0,0|2,0,0]=4 16537 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [1,0,0,1,0,0|1,0,1]=4 16538 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [1,0,0,1,0,0|1,0,1]=4 16539 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [1,0,0,1,0,0|1,0,0]=3 16540 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [1,0,0,1,0,0|2,0,0]=4 16541 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [1,0,0,1,0,0|2,0,0]=4 16542 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [1,0,0,1,0,0|2,0,0]=4 16543 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [1,0,0,1,0,0|2,0,0]=4 16544 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [1,0,0,1,0,0|1,0,0]=3 16545 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [1,0,0,1,0,0|2,0,0]=4 16546 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [1,0,0,1,0,0|2,0,0]=4 16547 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [1,0,0,1,0,0|2,0,0]=4 16548 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [1,0,0,1,0,0|2,0,0]=4 16549 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [1,0,0,1,0,0|1,0,0]=3 16550 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [1,0,0,1,0,0|2,0,0]=4 16551 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [1,0,0,1,0,0|2,0,0]=4 16552 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [1,0,0,1,0,0|2,0,0]=4 16553 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 16554 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [1,0,0,1,0,0|2,0,0]=4 16555 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [1,0,0,1,0,0|2,0,0]=4 16556 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 16557 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [1,0,0,1,0,0|2,0,0]=4 16558 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [1,0,0,1,0,0|2,0,0]=4 16559 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [1,0,0,1,0,0|2,0,0]=4 16560 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [1,0,0,1,0,0|2,0,0]=4 16561 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [1,0,0,1,0,0|2,0,0]=4 16562 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [1,0,0,1,0,0|2,0,0]=4 16563 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [1,0,0,1,0,0|2,0,0]=4 16564 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [1,0,0,1,0,0|2,0,0]=4 16565 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [1,0,0,1,0,0|2,0,0]=4 16566 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [1,0,0,1,0,0|2,0,0]=4 16567 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [1,0,0,1,0,0|2,0,0]=4 16568 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [1,0,0,1,0,0|2,0,0]=4 16569 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [1,0,0,1,0,0|2,0,0]=4 16570 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [1,0,0,1,0,0|2,0,0]=4 16571 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [1,0,0,1,0,0|2,0,0]=4 16572 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [1,0,0,1,0,0|0,0,2]=4 16573 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [1,0,0,1,0,0|0,0,2]=4 16574 B10R1.27 CCC(=O)C=C1CCCC1 1458a_100000743260_100000210202 [1,0,0,1,0,0|0,0,2]=4 16575 B10R1.27 CCC(=O)CC1=CCCC1 1458a_100000050221_100000210202 [1,0,0,1,0,0|0,0,2]=4 16576 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [1,0,0,1,0,0|0,0,2]=4 16577 B10R1.27 CCC(=O)CC1CC=CC1 1458a_200000137526_100000210202 [1,0,0,1,0,0|0,0,2]=4 16578 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [1,0,0,1,0,0|0,0,0]=2 16579 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [1,0,0,1,0,0|0,0,0]=2 16580 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [1,0,0,1,0,0|1,0,0]=3 16581 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [1,0,0,1,0,0|1,0,0]=3 16582 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [1,0,0,1,0,0|1,0,0]=3 16583 B10R1.27 CCC(=O)CC1OCCO1 1458a_100000210414_100000755774 [1,0,0,1,0,0|2,0,0]=4 16584 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [1,0,0,1,0,0|1,0,0]=3 16585 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [1,0,0,1,0,0|1,0,0]=3 16586 B10R1.27 CCC(=O)CN1CCSC1 269982a_100011215254_100000747405 [1,0,0,1,0,0|2,0,0]=4 16587 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 16588 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 16589 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 16590 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [1,0,0,1,0,0|1,0,0]=3 16591 B10R1.27 CCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210414 [1,0,0,1,0,0|2,0,0]=4 16592 B10R1.27 CCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210414 [1,0,0,1,0,0|2,0,0]=4 16593 B10R1.27 CCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 16594 B10R1.27 CCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 16595 B10R1.27 CCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 16596 B10R1.27 CCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210414 [1,0,0,1,0,0|2,0,0]=4 16597 B10R1.27 CCN(C)CC1CCCC1 2230a_100000225621_100000740388 [1,0,0,1,0,0|2,0,0]=4 16598 B10R1.27 CCN(C)CC1CCCC1 269982a_100000225621_100000740388 [1,0,0,1,0,0|2,0,0]=4 16599 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [1,0,0,1,0,0|1,0,0]=3 16600 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 16601 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 16602 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [1,0,0,1,0,0|1,0,0]=3 16603 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [1,0,0,1,0,0|2,0,0]=4 16604 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 16605 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 16606 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [1,0,0,1,0,0|2,0,0]=4 16607 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [1,0,0,1,0,0|2,0,0]=4 16608 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [1,0,0,1,0,0|2,0,0]=4 16609 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [1,0,0,1,0,0|2,0,0]=4 16610 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [1,0,0,1,0,0|2,0,0]=4 16611 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [1,0,0,1,0,0|2,0,0]=4 16612 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 16613 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 16614 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [1,0,0,1,0,0|2,0,0]=4 16615 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [1,0,0,1,0,0|2,0,0]=4 16616 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [1,0,0,1,0,0|2,0,0]=4 16617 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [1,0,0,1,0,0|1,0,0]=3 16618 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [1,0,0,1,0,0|1,0,0]=3 16619 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [1,0,0,1,0,0|2,0,0]=4 16620 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [1,0,0,1,0,0|2,0,0]=4 16621 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [1,0,0,1,0,0|1,0,0]=3 16622 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [1,0,0,1,0,0|2,0,0]=4 16623 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [1,0,0,1,0,0|2,0,0]=4 16624 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [1,0,0,1,0,0|1,0,0]=3 16625 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [1,0,0,1,0,0|2,0,0]=4 16626 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [1,0,0,1,0,0|2,0,0]=4 16627 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [1,0,0,1,0,0|2,0,0]=4 16628 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [1,0,0,1,0,0|2,0,0]=4 16629 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [1,0,0,1,0,0|1,0,0]=3 16630 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [1,0,0,1,0,0|2,0,0]=4 16631 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [1,0,0,1,0,0|2,0,0]=4 16632 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [1,0,0,1,0,0|2,0,0]=4 16633 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [1,0,0,1,0,0|2,0,0]=4 16634 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [1,0,0,1,0,0|1,0,0]=3 16635 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [1,0,0,1,0,0|1,0,1]=4 16636 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,0,0,1,0,0|0,0,0]=2 16637 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [1,0,0,1,0,0|1,0,0]=3 16638 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [1,0,0,1,0,0|1,0,0]=3 16639 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 16640 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 16641 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [1,0,0,1,0,0|1,0,0]=3 16642 B10R1.149 CCC(=O)N1CCSC1C 11a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 16643 B10R1.149 CCC(=O)N1CCSC1C 1626a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 16644 B10R1.149 CCC(=O)N1CCSC1C 240690a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 16645 B10R1.149 CCC(=O)N1CCSC1C 527a_200011216479_100000210414 [1,0,0,1,0,0|2,0,0]=4 16646 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [1,0,0,1,0,0|1,0,0]=3 16647 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [1,0,0,1,0,0|2,0,0]=4 16648 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,0,0,1,0,0|1,0,0]=3 16649 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 16650 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 16651 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,0,0,1,0,0|1,0,0]=3 16652 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 16653 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [1,0,0,1,0,0|2,0,0]=4 16654 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 16655 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [1,0,0,1,0,0|2,0,0]=4 16656 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [1,0,0,1,0,0|2,0,0]=4 16657 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 16658 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [1,0,0,1,0,0|2,0,0]=4 16659 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 16660 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [1,0,0,1,0,0|2,0,0]=4 16661 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [1,0,0,1,0,0|2,0,0]=4 16662 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 16663 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 16664 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [1,0,0,1,0,0|2,0,0]=4 16665 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [1,0,0,1,0,0|2,0,0]=4 16666 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [1,0,0,1,0,0|2,0,0]=4 16667 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [1,0,0,1,0,0|2,0,0]=4 16668 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [1,0,0,1,0,0|2,0,0]=4 16669 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [1,0,0,1,0,0|2,0,0]=4 16670 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [1,0,0,1,0,0|2,0,0]=4 16671 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [1,0,0,1,0,0|1,0,0]=3 16672 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [1,0,0,1,0,0|1,0,0]=3 16673 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [1,0,0,1,0,0|1,0,0]=3 16674 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [1,0,0,1,0,0|1,0,0]=3 16675 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [1,0,0,1,0,0|2,0,0]=4 16676 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [1,0,0,1,0,0|2,0,0]=4 16677 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [1,0,0,1,0,0|2,0,0]=4 16678 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [1,0,0,1,0,0|2,0,0]=4 16679 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [1,0,0,1,0,0|1,0,0]=3 16680 B10R1.151 CCC(=O)COC1COC1 34a_100000725409_100009818527 [1,0,0,1,0,0|2,0,0]=4 16681 B10R1.151 CCC(=O)COC1CSC1 7a_100000072292_100000747405 [1,0,0,1,0,0|2,0,0]=4 16682 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [1,0,0,1,0,0|1,0,0]=3 16683 B10R1.151 CCC(=O)CSC1COC1 62a_100000747405_100009818527 [1,0,0,1,0,0|2,0,0]=4 16684 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 16685 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 16686 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 16687 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [1,0,0,1,0,0|1,0,0]=3 16688 B10R1.151 CCC(=O)NCC1COC1 11a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 16689 B10R1.151 CCC(=O)NCC1COC1 1626a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 16690 B10R1.151 CCC(=O)NCC1COC1 240690a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 16691 B10R1.151 CCC(=O)NCC1COC1 527a_100015281925_100000210414 [1,0,0,1,0,0|2,0,0]=4 16692 B10R1.151 CCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 16693 B10R1.151 CCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 16694 B10R1.151 CCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 16695 B10R1.151 CCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210414 [1,0,0,1,0,0|2,0,0]=4 16696 B10R1.151 CCC(=O)NNC1CCC1 22a_100000736358_100000210414 [1,0,0,1,0,0|2,0,0]=4 16697 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [1,0,0,1,0,0|2,0,0]=4 16698 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [1,0,0,1,0,0|2,0,0]=4 16699 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [1,0,0,1,0,0|2,0,0]=4 16700 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [1,0,0,1,0,0|2,0,0]=4 16701 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [1,0,0,1,0,0|2,0,0]=4 16702 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [1,0,0,1,0,0|2,0,0]=4 16703 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [1,0,0,1,0,0|2,0,0]=4 16704 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [1,0,0,1,0,0|2,0,0]=4 16705 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 16706 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 16707 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [1,0,0,1,0,0|2,0,0]=4 16708 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [1,0,0,1,0,0|2,0,0]=4 16709 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [1,0,0,1,0,0|2,0,0]=4 16710 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [1,0,0,1,0,0|1,0,0]=3 16711 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [1,0,0,1,0,0|1,0,0]=3 16712 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [1,0,0,1,0,0|1,0,0]=3 16713 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [1,0,0,1,0,0|2,0,0]=4 16714 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [1,0,0,1,0,0|1,0,0]=3 16715 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [1,0,0,1,0,0|2,0,0]=4 16716 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [1,0,0,1,0,0|1,0,0]=3 16717 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [1,0,0,1,0,0|2,0,0]=4 16718 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [1,0,0,1,0,0|2,0,0]=4 16719 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [1,0,0,1,0,0|2,0,0]=4 16720 B10R1.153 CCC(=O)CC#CC1CC1 1458a_100000210414_100009895102 [1,0,0,1,0,0|0,0,2]=4 16721 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [1,0,0,1,0,0|1,0,0]=3 16722 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [1,0,0,1,0,0|1,0,0]=3 16723 B10R1.153 CCC(=O)COCC1CO1 34a_100000725409_102125554688 [1,0,0,1,0,0|2,0,0]=4 16724 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [1,0,0,1,0,0|1,0,0]=3 16725 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [1,0,0,1,0,0|1,0,0]=3 16726 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [1,0,0,1,0,0|1,0,0]=3 16727 B10R1.153 CCC(=O)CSCC1CO1 62a_100000747405_102125554688 [1,0,0,1,0,0|2,0,0]=4 16728 B10R1.153 CCC(=O)CSCC1CO1 62a_102125554688_100000747405 [1,0,0,1,0,0|2,0,0]=4 16729 B10R1.153 CCC(=O)CSCC1CS1 62a_100000031435_100000747405 [1,0,0,1,0,0|2,0,0]=4 16730 B10R1.153 CCC(=O)CSCC1CS1 62a_100000747405_100000031435 [1,0,0,1,0,0|2,0,0]=4 16731 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747405 [1,0,0,1,0,0|2,0,0]=4 16732 B10R1.153 CCC(=O)CSC[C@@H]1CO1 62a_100000747405_100000745022 [1,0,0,1,0,0|2,0,0]=4 16733 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 16734 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 16735 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [1,0,0,1,0,0|1,0,0]=3 16736 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [1,0,0,1,0,0|2,0,0]=4 16737 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [1,0,0,1,0,0|2,0,0]=4 16738 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [1,0,0,1,0,0|2,0,0]=4 16739 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [1,0,0,1,0,0|2,0,0]=4 16740 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [1,0,0,1,0,0|2,0,0]=4 16741 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [1,0,0,1,0,0|2,0,0]=4 16742 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [1,0,0,1,0,0|2,0,0]=4 16743 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [1,0,0,1,0,0|2,0,0]=4 16744 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [1,0,0,1,0,0|2,0,0]=4 16745 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [1,0,0,1,0,0|2,0,0]=4 16746 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [1,0,0,1,0,0|2,0,0]=4 16747 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [1,0,0,1,0,0|2,0,0]=4 16748 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 16749 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 16750 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [1,0,0,1,0,0|2,0,0]=4 16751 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [1,0,0,1,0,0|2,0,0]=4 16752 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [1,0,0,1,0,0|2,0,0]=4 16753 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [1,0,0,1,0,0|2,0,0]=4 16754 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 16755 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 16756 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [1,0,0,1,0,0|2,0,0]=4 16757 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [1,0,0,1,0,0|2,0,0]=4 16758 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [1,0,0,1,0,0|2,0,0]=4 16759 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [1,0,0,1,0,0|1,0,0]=3 16760 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [1,0,0,1,0,0|1,0,0]=3 16761 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [1,0,0,1,0,0|1,0,0]=3 16762 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [1,0,0,1,0,0|1,0,0]=3 16763 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [1,0,0,1,0,0|1,0,0]=3 16764 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [1,0,0,1,0,0|2,0,0]=4 16765 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [1,0,0,1,0,0|1,0,0]=3 16766 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [1,0,0,1,0,0|1,0,0]=3 16767 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [1,0,0,1,0,0|2,0,0]=4 16768 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [1,0,0,1,0,0|2,0,0]=4 16769 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [1,0,0,1,0,0|2,0,0]=4 16770 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [1,0,0,1,0,0|2,0,0]=4 16771 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [1,0,0,1,0,0|2,0,0]=4 16772 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [1,0,0,1,0,0|2,0,0]=4 16773 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [1,0,0,1,0,0|2,0,0]=4 16774 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [1,0,0,1,0,0|2,0,0]=4 16775 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 16776 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [1,0,0,1,0,0|2,0,0]=4 16777 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [1,0,0,1,0,0|1,0,1]=4 16778 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [1,0,0,1,0,0|1,0,1]=4 16779 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [1,0,0,1,0,0|1,0,0]=3 16780 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [1,0,0,1,0,0|1,0,0]=3 16781 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [1,0,0,1,0,0|2,0,0]=4 16782 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [1,0,0,1,0,0|2,0,0]=4 16783 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [1,0,0,1,0,0|2,0,0]=4 16784 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [1,0,0,1,0,0|2,0,0]=4 16785 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [1,0,0,1,0,0|1,0,1]=4 16786 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [1,0,0,1,0,0|1,0,1]=4 16787 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [1,0,0,1,0,0|1,0,1]=4 16788 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [1,0,0,1,0,0|1,0,1]=4 16789 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [1,0,0,1,0,0|1,0,0]=3 16790 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [1,0,0,1,0,0|2,0,0]=4 16791 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [1,0,0,1,0,0|2,0,0]=4 16792 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [1,0,0,1,0,0|1,0,0]=3 16793 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [1,0,0,1,0,0|1,0,0]=3 16794 B12R1.7 CCCCCCc1nc(no1)C 270196a_100000212224_100102632555 [0,1,0,1,0,0|1,0,1]=4 16795 B12R1.7 CCCCCCc1noc(n1)C 270196a_100011218096_100000070787 [0,1,0,1,0,0|1,0,1]=4 16796 B12R1.107 C=C(C)CC(=O)C1CCCCC1 1458a_100000210647_100000748629 [0,1,0,1,0,0|1,0,1]=4 16797 B12R1.107 CC(=CC(=O)C1CCCCC1)C 1458a_100000211388_100000210327 [0,1,0,1,0,0|1,0,1]=4 16798 B12R1.107 CC(=CC(=O)C1CCCCC1)Cl 1458a_200042562850_100000210327 [0,1,0,1,0,0|1,0,1]=4 16799 B12R1.107 CC(=CC(=O)C1CCCCC1)I 1458a_100025716642_100000210327 [0,1,0,1,0,0|1,0,1]=4 16800 B12R1.107 CC(=O)CC(=O)C1CCCCC1 1458a_100000070787_100000241979 [0,1,0,1,0,0|1,0,1]=4 16801 B12R1.107 CC(C)CC(=O)C1CCCCC1 1458a_100000210554_100000210327 [0,1,0,1,0,0|1,0,0]=3 16802 B12R1.107 CC(C)CC(=O)C1CCCCC1 1458a_100000210647_100000210624 [0,1,0,1,0,0|1,0,0]=3 16803 B12R1.107 CC(C)CC(=O)C1CCCCO1 1458a_100000748299_100000210624 [0,1,0,1,0,0|2,0,0]=4 16804 B12R1.107 CC(C)CC(=O)C1CCCOC1 1458a_100000210554_100000693364 [0,1,0,1,0,0|2,0,0]=4 16805 B12R1.107 CC(C)CC(=O)C1CCCOC1 1458a_100000741522_100000210624 [0,1,0,1,0,0|2,0,0]=4 16806 B12R1.107 CC(C)CC(=O)C1CCOCC1 1458a_100000195482_100000210624 [0,1,0,1,0,0|2,0,0]=4 16807 B12R1.107 CC(C)CC(=O)C1CCOCC1 1458a_100000210554_100011324220 [0,1,0,1,0,0|2,0,0]=4 16808 B12R1.107 CC(C)CC(=O)C1CCSCC1 1458a_100000755232_100000210624 [0,1,0,1,0,0|2,0,0]=4 16809 B12R1.107 CC(C)NC(=O)C1CCCCC1 11a_100138425928_100000210647 [0,1,0,1,0,0|1,0,0]=3 16810 B12R1.107 CC(C)NC(=O)C1CCCCC1 1626a_100138425928_100000210647 [0,1,0,1,0,0|1,0,0]=3 16811 B12R1.107 CC(C)NC(=O)C1CCCCC1 240690a_100138425928_100000210647 [0,1,0,1,0,0|1,0,0]=3 16812 B12R1.107 CC(C)NC(=O)C1CCCCC1 527a_100138425928_100000210647 [0,1,0,1,0,0|1,0,0]=3 16813 B12R1.107 CC(C)NC(=O)C1CCCCO1 11a_100138425928_100000748299 [0,1,0,1,0,0|2,0,0]=4 16814 B12R1.107 CC(C)NC(=O)C1CCCCO1 1626a_100138425928_100000748299 [0,1,0,1,0,0|2,0,0]=4 16815 B12R1.107 CC(C)NC(=O)C1CCCCO1 240690a_100138425928_100000748299 [0,1,0,1,0,0|2,0,0]=4 16816 B12R1.107 CC(C)NC(=O)C1CCCCO1 527a_100138425928_100000748299 [0,1,0,1,0,0|2,0,0]=4 16817 B12R1.107 CC(C)NC(=O)C1CCCOC1 11a_100138425928_100000741522 [0,1,0,1,0,0|2,0,0]=4 16818 B12R1.107 CC(C)NC(=O)C1CCCOC1 1626a_100138425928_100000741522 [0,1,0,1,0,0|2,0,0]=4 16819 B12R1.107 CC(C)NC(=O)C1CCCOC1 240690a_100138425928_100000741522 [0,1,0,1,0,0|2,0,0]=4 16820 B12R1.107 CC(C)NC(=O)C1CCCOC1 527a_100138425928_100000741522 [0,1,0,1,0,0|2,0,0]=4 16821 B12R1.107 CC(C)NC(=O)C1CCOCC1 11a_100138425928_100000195482 [0,1,0,1,0,0|2,0,0]=4 16822 B12R1.107 CC(C)NC(=O)C1CCOCC1 1626a_100138425928_100000195482 [0,1,0,1,0,0|2,0,0]=4 16823 B12R1.107 CC(C)NC(=O)C1CCOCC1 240690a_100138425928_100000195482 [0,1,0,1,0,0|2,0,0]=4 16824 B12R1.107 CC(C)NC(=O)C1CCOCC1 527a_100138425928_100000195482 [0,1,0,1,0,0|2,0,0]=4 16825 B12R1.107 CC(C)NC(=O)C1CCSCC1 11a_100138425928_100000755232 [0,1,0,1,0,0|2,0,0]=4 16826 B12R1.107 CC(C)NC(=O)C1CCSCC1 1626a_100138425928_100000755232 [0,1,0,1,0,0|2,0,0]=4 16827 B12R1.107 CC(C)NC(=O)C1CCSCC1 240690a_100138425928_100000755232 [0,1,0,1,0,0|2,0,0]=4 16828 B12R1.107 CC(C)NC(=O)C1CCSCC1 527a_100138425928_100000755232 [0,1,0,1,0,0|2,0,0]=4 16829 B12R1.107 CC(C)OC(C)C1CCCCC1 34a_100011216961_100000210206 [0,1,0,1,0,0|1,0,1]=4 16830 B12R1.107 CC(C)OC(C)C1CCCCC1 7a_100011216961_100000210206 [0,1,0,1,0,0|1,0,1]=4 16831 B12R1.107 CC(O)CC(=O)C1CCCCC1 1458a_100000210647_100011218427 [0,1,0,1,0,0|1,0,0]=3 16832 B12R1.107 CC(O)CC(=O)C1CCCCO1 1458a_100000748299_100011218427 [0,1,0,1,0,0|2,0,0]=4 16833 B12R1.107 CC(O)CC(=O)C1CCCOC1 1458a_100000741522_100011218427 [0,1,0,1,0,0|2,0,0]=4 16834 B12R1.107 CC(O)CC(=O)C1CCOCC1 1458a_100000195482_100011218427 [0,1,0,1,0,0|2,0,0]=4 16835 B12R1.107 CC(O)CC(=O)C1CCSCC1 1458a_100000755232_100011218427 [0,1,0,1,0,0|2,0,0]=4 16836 B12R1.107 CN(C)CC(=O)C1CCCCC1 1458a_100000750896_100000210327 [0,1,0,1,0,0|2,0,0]=4 16837 B12R1.107 CN(C)CC(=O)C1CCCCC1 2230a_100102631434_100000241979 [0,1,0,1,0,0|2,0,0]=4 16838 B12R1.107 CN(C)CC(=O)C1CCCCC1 269982a_100102631434_100000241979 [0,1,0,1,0,0|2,0,0]=4 16839 B12R1.107 C[C@@H](O)CC(=O)C1CCCCC1 1458a_100011933948_100000210327 [0,1,0,1,0,0|1,0,0]=3 16840 B12R1.107 C[C@@H](O)CC(=O)C1CCCOC1 1458a_100011933948_100000693364 [0,1,0,1,0,0|2,0,0]=4 16841 B12R1.107 C[C@@H](O)CC(=O)C1CCOCC1 1458a_100011933948_100011324220 [0,1,0,1,0,0|2,0,0]=4 16842 B12R1.107 C[S+](C)CC(=O)C1CCCCC1 1458a_200159257847_100000210327 [0,1,0,1,0,0|2,0,0]=4 16843 B12R1.107 O=C(CC(F)F)C1CCCCC1 1458a_100000210647_100011934356 [0,1,0,1,0,0|2,0,0]=4 16844 B12R1.142 CC(C)OC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011215430 [0,1,0,1,0,0|2,0,0]=4 16845 B12R1.142 CC(C)OC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011215430 [0,1,0,1,0,0|2,0,0]=4 16846 B12R1.142 CC(C)OC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011215430 [0,1,0,1,0,0|2,0,0]=4 16847 B12R1.144 C=C(C)CC(=O)C1CCCC1C 1458a_100000690547_100000748629 [0,1,0,1,0,0|1,0,1]=4 16848 B12R1.144 CC(C)CC(=O)C1CCCC1C 1458a_100000690547_100000210624 [0,1,0,1,0,0|1,0,0]=3 16849 B12R1.144 CC(C)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210554 [0,1,0,1,0,0|2,0,0]=4 16850 B12R1.144 CC(C)CC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210554 [0,1,0,1,0,0|2,0,0]=4 16851 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 11a_100015189458_100000210554 [0,1,0,1,0,0|2,0,0]=4 16852 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210554 [0,1,0,1,0,0|2,0,0]=4 16853 B12R1.144 CC(C)CC(=O)N1CCC[C@H]1C 527a_100015189458_100000210554 [0,1,0,1,0,0|2,0,0]=4 16854 B12R1.144 CC(C)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210624 [0,1,0,1,0,0|2,0,0]=4 16855 B12R1.144 CC(C)NC(=O)C1CCCC1C 11a_100138425928_100000690547 [0,1,0,1,0,0|1,0,0]=3 16856 B12R1.144 CC(C)NC(=O)C1CCCC1C 1626a_100138425928_100000690547 [0,1,0,1,0,0|1,0,0]=3 16857 B12R1.144 CC(C)NC(=O)C1CCCC1C 240690a_100138425928_100000690547 [0,1,0,1,0,0|1,0,0]=3 16858 B12R1.144 CC(C)NC(=O)C1CCCC1C 527a_100138425928_100000690547 [0,1,0,1,0,0|1,0,0]=3 16859 B12R1.144 CC(C)NC(=O)N1CCC[C@@H]1C 2708a_100138425928_100020605311 [0,1,0,1,0,0|2,0,0]=4 16860 B12R1.144 CC(C)NC(=O)N1CCC[C@@H]1C 273464a_100138425928_100020605311 [0,1,0,1,0,0|2,0,0]=4 16861 B12R1.144 CC(C)NC(=O)N1CCC[C@H]1C 2708a_100138425928_100015189458 [0,1,0,1,0,0|2,0,0]=4 16862 B12R1.144 CC(C)NC(=O)N1CCC[C@H]1C 273464a_100138425928_100015189458 [0,1,0,1,0,0|2,0,0]=4 16863 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C 11a_100138425928_100009816429 [0,1,0,1,0,0|2,0,0]=4 16864 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C 240690a_100138425928_100009816429 [0,1,0,1,0,0|2,0,0]=4 16865 B12R1.144 CC(C)NC(=O)[C@@H]1CCCN1C 527a_100138425928_100009816429 [0,1,0,1,0,0|2,0,0]=4 16866 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1C 2230a_100153395200_200000210301 [0,1,0,1,0,0|2,0,0]=4 16867 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1C 269982a_100153395200_200000210301 [0,1,0,1,0,0|2,0,0]=4 16868 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1C 34a_100153395200_200000210301 [0,1,0,1,0,0|2,0,0]=4 16869 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1[13CH3] 2230a_100153395200_200025704644 [0,1,0,1,0,0|2,0,0]=4 16870 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1[13CH3] 269982a_100153395200_200025704644 [0,1,0,1,0,0|2,0,0]=4 16871 B12R1.144 CC(C)NC(=O)[C@H]1CCCN1[13CH3] 34a_100153395200_200025704644 [0,1,0,1,0,0|2,0,0]=4 16872 B12R1.144 CC(O)CC(=O)C1CCCC1C 1458a_100000690547_100011218427 [0,1,0,1,0,0|1,0,0]=3 16873 B12R1.144 CC(O)CC(=O)[C@@H]1CCCN1C 1458a_100009816429_100011218427 [0,1,0,1,0,0|2,0,0]=4 16874 B12R1.144 CC1CCCC1C(=O)CC(F)F 1458a_100000690547_100011934356 [0,1,0,1,0,0|2,0,0]=4 16875 B12R1.144 C[C@@H](O)CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100011933948 [0,1,0,1,0,0|2,0,0]=4 16876 B12R1.144 C[C@@H]1CCCN1C(=O)C[C@@H](C)O 240690a_100015189458_100011933948 [0,1,0,1,0,0|2,0,0]=4 16877 B12R1.152 CC(C)NC(=O)CN1CCC1C 269982a_100000755817_100000183996 [0,1,0,1,0,0|2,0,0]=4 16878 B12R1.152 CC(C)NC(=O)CN1CCC1C 34a_100000755817_100000183996 [0,1,0,1,0,0|2,0,0]=4 16879 B12R1.152 CC(C)OC(=O)CN1CCC1C 269982a_100000755817_100011215430 [0,1,0,1,0,0|1,0,0]=3 16880 B12R1.152 CC(C)OC(=O)CN1CCC1C 34a_100000755817_100011215430 [0,1,0,1,0,0|1,0,0]=3 16881 B12R1.260 C=C(C)CC(=O)CC1CCCC1 1458a_100000210891_100000748629 [0,1,0,1,0,0|1,0,1]=4 16882 B12R1.260 CC(=CC(=O)CC1CCCC1)C 1458a_100000211388_100000740388 [0,1,0,1,0,0|1,0,1]=4 16883 B12R1.260 CC(=CC(=O)CC1CCCC1)Cl 1458a_200042562850_100000740388 [0,1,0,1,0,0|1,0,1]=4 16884 B12R1.260 CC(=CC(=O)CC1CCCC1)I 1458a_100025716642_100000740388 [0,1,0,1,0,0|1,0,1]=4 16885 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210554_100000740388 [0,1,0,1,0,0|1,0,0]=3 16886 B12R1.260 CC(C)CC(=O)CC1CCCC1 1458a_100000210891_100000210624 [0,1,0,1,0,0|1,0,0]=3 16887 B12R1.260 CC(C)CC(=O)CC1CCCO1 1458a_100000210554_100000203698 [0,1,0,1,0,0|2,0,0]=4 16888 B12R1.260 CC(C)CC(=O)CC1CCOC1 1458a_100000210554_100000702531 [0,1,0,1,0,0|2,0,0]=4 16889 B12R1.260 CC(C)CC(=O)CC1CCOC1 1458a_100011218419_100000210624 [0,1,0,1,0,0|2,0,0]=4 16890 B12R1.260 CC(C)CC(=O)CN1CCCC1 1458a_100000740243_100000210624 [0,1,0,1,0,0|2,0,0]=4 16891 B12R1.260 CC(C)CC(=O)NC1CCCC1 11a_100000211070_100000210554 [0,1,0,1,0,0|2,0,0]=4 16892 B12R1.260 CC(C)CC(=O)NC1CCCC1 1626a_100000211070_100000210554 [0,1,0,1,0,0|2,0,0]=4 16893 B12R1.260 CC(C)CC(=O)NC1CCCC1 240690a_100000211070_100000210554 [0,1,0,1,0,0|2,0,0]=4 16894 B12R1.260 CC(C)CC(=O)NC1CCCC1 527a_100000211070_100000210554 [0,1,0,1,0,0|2,0,0]=4 16895 B12R1.260 CC(C)NC(=O)CC1CCCC1 11a_100138425928_100000210891 [0,1,0,1,0,0|1,0,0]=3 16896 B12R1.260 CC(C)NC(=O)CC1CCCC1 1626a_100138425928_100000210891 [0,1,0,1,0,0|1,0,0]=3 16897 B12R1.260 CC(C)NC(=O)CC1CCCC1 240690a_100138425928_100000210891 [0,1,0,1,0,0|1,0,0]=3 16898 B12R1.260 CC(C)NC(=O)CC1CCCC1 527a_100138425928_100000210891 [0,1,0,1,0,0|1,0,0]=3 16899 B12R1.260 CC(C)NC(=O)CC1CCOC1 11a_100138425928_100011218419 [0,1,0,1,0,0|2,0,0]=4 16900 B12R1.260 CC(C)NC(=O)CC1CCOC1 1626a_100138425928_100011218419 [0,1,0,1,0,0|2,0,0]=4 16901 B12R1.260 CC(C)NC(=O)CC1CCOC1 240690a_100138425928_100011218419 [0,1,0,1,0,0|2,0,0]=4 16902 B12R1.260 CC(C)NC(=O)CC1CCOC1 527a_100138425928_100011218419 [0,1,0,1,0,0|2,0,0]=4 16903 B12R1.260 CC(C)NC(=O)CN1CCCC1 2230a_100000188435_100000183996 [0,1,0,1,0,0|2,0,0]=4 16904 B12R1.260 CC(C)NC(=O)CN1CCCC1 240690a_100138425928_100000740243 [0,1,0,1,0,0|2,0,0]=4 16905 B12R1.260 CC(C)NC(=O)CN1CCCC1 269982a_100000188435_100000183996 [0,1,0,1,0,0|2,0,0]=4 16906 B12R1.260 CC(C)NC(=O)CN1CCCC1 527a_100138425928_100000740243 [0,1,0,1,0,0|2,0,0]=4 16907 B12R1.260 CC(C)NC(=O)NC1CCCC1 2708a_100000211070_100138425928 [0,1,0,1,0,0|2,0,0]=4 16908 B12R1.260 CC(C)NC(=O)NC1CCCC1 2708a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 16909 B12R1.260 CC(C)NC(=O)NC1CCCC1 273464a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 16910 B12R1.260 CC(C)NC(=O)NC1CCCC1 512a_100000211070_100138425928 [0,1,0,1,0,0|2,0,0]=4 16911 B12R1.260 CC(C)NC(=O)NC1CCCC1 512a_100138425928_100000211070 [0,1,0,1,0,0|2,0,0]=4 16912 B12R1.260 CC(C)OC(=O)CN1CCCC1 2230a_100000188435_100011215430 [0,1,0,1,0,0|1,0,0]=3 16913 B12R1.260 CC(C)OC(=O)CN1CCCC1 269982a_100000188435_100011215430 [0,1,0,1,0,0|1,0,0]=3 16914 B12R1.260 CC(C)OC(=O)CN1CCSC1 2230a_100011215254_100011215430 [0,1,0,1,0,0|2,0,0]=4 16915 B12R1.260 CC(C)OC(=O)CN1CCSC1 269982a_100011215254_100011215430 [0,1,0,1,0,0|2,0,0]=4 16916 B12R1.260 CC(O)CC(=O)CC1CCCC1 1458a_100000210891_100011218427 [0,1,0,1,0,0|1,0,0]=3 16917 B12R1.260 CC(O)CC(=O)CC1CCOC1 1458a_100011218419_100011218427 [0,1,0,1,0,0|2,0,0]=4 16918 B12R1.260 CC(O)CC(=O)CN1CCCC1 1458a_100000740243_100011218427 [0,1,0,1,0,0|2,0,0]=4 16919 B12R1.260 CN(C)CC(=O)CC1CCCC1 1458a_100000750896_100000740388 [0,1,0,1,0,0|2,0,0]=4 16920 B12R1.260 C[C@@H](O)CC(=O)CC1CCCC1 1458a_100011933948_100000740388 [0,1,0,1,0,0|1,0,0]=3 16921 B12R1.260 C[C@@H](O)CC(=O)CC1CCCO1 1458a_100011933948_100000203698 [0,1,0,1,0,0|2,0,0]=4 16922 B12R1.260 C[C@@H](O)CC(=O)CC1CCOC1 1458a_100011933948_100000702531 [0,1,0,1,0,0|2,0,0]=4 16923 B12R1.260 C[C@@H](O)CC(=O)NC1CCCC1 240690a_100000211070_100011933948 [0,1,0,1,0,0|2,0,0]=4 16924 B12R1.260 C[S+](C)CC(=O)CC1CCCC1 1458a_200159257847_100000740388 [0,1,0,1,0,0|2,0,0]=4 16925 B12R1.260 O=C(CC(F)F)CC1CCCC1 1458a_100000210891_100011934356 [0,1,0,1,0,0|2,0,0]=4 16926 B12R1.438 CCC1CCCC(C1)OC(C)C 7a_100011985506_100000210206 [0,1,0,1,0,0|1,0,1]=4 16927 B12R1.456 CC1CC(C(=O)O1)NCCCF 2230a_100015189416_200000216747 [0,1,0,1,0,0|2,0,0]=4 16928 B12R1.456 CC1CC(C(=O)O1)NCCCF 34a_100015189416_200000216747 [0,1,0,1,0,0|2,0,0]=4 16929 B12R1.456 CC1CC(C(=O)O1)OCCCBr 34a_100011217188_200000216747 [0,1,0,1,0,0|2,0,0]=4 16930 B12R1.456 CC1CC(C(=O)O1)OCCCCl 34a_100000230001_200000216747 [0,1,0,1,0,0|2,0,0]=4 16931 B12R1.456 CC1CC(C(=O)O1)OCCCF 34a_100000759539_200000216747 [0,1,0,1,0,0|2,0,0]=4 16932 B12R1.456 CC1CC(C(=O)O1)OCCCN 34a_100000182051_200000216747 [0,1,0,1,0,0|2,0,0]=4 16933 B12R1.456 CC1CC(C(=O)O1)SCCCF 62a_100011934791_200000216747 [0,1,0,1,0,0|2,0,0]=4 16934 B12R1.456 CC1CC(C(=O)O1)SCCCF 62a_200000216747_100011934791 [0,1,0,1,0,0|2,0,0]=4 16935 B12R1.456 CC1CC(C(=O)O1)SCCCO 62a_100011215043_200000216747 [0,1,0,1,0,0|2,0,0]=4 16936 B12R1.456 CC1CC(C(=O)O1)SCCCO 62a_200000216747_100011215043 [0,1,0,1,0,0|2,0,0]=4 16937 B12R1.456 CCCCNC1CC(OC1=O)C 2230a_100000102301_200000216747 [0,1,0,1,0,0|1,0,0]=3 16938 B12R1.456 CCCCNC1CC(OC1=O)C 7a_106832991798_200000216747 [0,1,0,1,0,0|1,0,0]=3 16939 B12R1.456 CCCCOC1CC(OC1=O)C 34a_100000210227_200000216747 [0,1,0,1,0,0|1,0,0]=3 16940 B12R1.456 CCCCOC1CC(OC1=O)C 7a_100000210227_200000216747 [0,1,0,1,0,0|1,0,0]=3 16941 B12R1.456 CCCCSC1CC(OC1=O)C 62a_100000210211_200000216747 [0,1,0,1,0,0|1,0,0]=3 16942 B12R1.456 CCCCSC1CC(OC1=O)C 62a_200000216747_100000210210 [0,1,0,1,0,0|1,0,0]=3 16943 B12R1.456 CCOCSC1CC(OC1=O)C 62a_100000739092_200000216747 [0,1,0,1,0,0|2,0,0]=4 16944 B12R1.456 CCOCSC1CC(OC1=O)C 62a_200000216747_100000739092 [0,1,0,1,0,0|2,0,0]=4 16945 B12R1.456 COCCNC1CC(OC1=O)C 2230a_100000209980_200000216747 [0,1,0,1,0,0|2,0,0]=4 16946 B12R1.456 COCCOC1CC(OC1=O)C 34a_100000210237_200000216747 [0,1,0,1,0,0|2,0,0]=4 16947 B12R1.456 COCCSC1CC(OC1=O)C 62a_100000233755_200000216747 [0,1,0,1,0,0|2,0,0]=4 16948 B12R1.456 COCCSC1CC(OC1=O)C 62a_200000216747_100000233755 [0,1,0,1,0,0|2,0,0]=4 16949 B12R1.456 CSCCNC1CC(OC1=O)C 2230a_100020590264_200000216747 [0,1,0,1,0,0|2,0,0]=4 16950 B12R1.456 CSCCOC1CC(OC1=O)C 34a_100000230434_200000216747 [0,1,0,1,0,0|2,0,0]=4 16951 B12R1.456 CSCCOC1CC(OC1=O)C 7a_100000230434_200000216747 [0,1,0,1,0,0|2,0,0]=4 16952 B12R1.456 CSCCSC1CC(OC1=O)C 62a_100000212216_200000216747 [0,1,0,1,0,0|2,0,0]=4 16953 B12R1.456 CSCCSC1CC(OC1=O)C 62a_200000216747_100000751147 [0,1,0,1,0,0|2,0,0]=4 16954 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [0,1,0,1,0,0|1,0,0]=3 16955 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [0,1,0,1,0,0|1,0,0]=3 16956 B12R1.563 CCCCCCC(=O)CC1CO1 1458a_100102632555_100011216344 [0,1,0,1,0,0|1,0,0]=3 16957 B12R1.563 CCCCCCC(=O)CC1CS1 1458a_100102632555_100000031435 [0,1,0,1,0,0|1,0,0]=3 16958 B12R1.563 CCCCCCC(=O)C[C@@H]1CO1 1458a_100102632555_100000745022 [0,1,0,1,0,0|1,0,0]=3 16959 B12R1.563 CCCCCCC(=O)NC1CC1 1626a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 16960 B12R1.563 CCCCCCC(=O)NC1CC1 240690a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 16961 B12R1.563 CCCCCCC(=O)NC1CC1 527a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 16962 B12R1.563 CCCCCCC(C)OC1CC1 34a_100000210265_100000211595 [0,1,0,1,0,0|1,0,1]=4 16963 B12R1.563 CCCCCNC(=O)CC1CC1 11a_100000209983_100000738066 [0,1,0,1,0,0|2,0,0]=4 16964 B12R1.563 CCCCCNC(=O)CC1CC1 1626a_100000209983_100000738066 [0,1,0,1,0,0|2,0,0]=4 16965 B12R1.563 CCCCCNC(=O)CC1CC1 240690a_100000209983_100000738066 [0,1,0,1,0,0|2,0,0]=4 16966 B12R1.563 CCCCCNC(=O)CC1CC1 527a_100000209983_100000738066 [0,1,0,1,0,0|2,0,0]=4 16967 B12R1.563 CCCCCNC(=O)NC1CC1 2708a_100000209983_100000212008 [0,1,0,1,0,0|2,0,0]=4 16968 B12R1.563 CCCCCNC(=O)NC1CC1 2708a_100000212008_100000209983 [0,1,0,1,0,0|2,0,0]=4 16969 B12R1.563 CCCCCNC(=O)NC1CC1 273464a_100000209983_100000212008 [0,1,0,1,0,0|2,0,0]=4 16970 B12R1.563 CCCCCNC(=O)NC1CC1 273464a_100000212008_100000209983 [0,1,0,1,0,0|2,0,0]=4 16971 B12R1.563 CCCCCNC(=O)NC1CC1 512a_100000212008_100000209983 [0,1,0,1,0,0|2,0,0]=4 16972 B12R1.563 CCCCNCC(=O)NC1CC1 2230a_100000102301_100000182950 [0,1,0,1,0,0|2,0,0]=4 16973 B12R1.563 CCCCNCC(=O)NC1CC1 2230a_100000702991_100000210211 [0,1,0,1,0,0|2,0,0]=4 16974 B12R1.563 CCCCNCC(=O)NC1CC1 7a_106832991798_100000182950 [0,1,0,1,0,0|2,0,0]=4 16975 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000738066_100011995733 [0,1,0,1,0,0|2,0,0]=4 16976 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000757543_100000742324 [0,1,0,1,0,0|2,0,0]=4 16977 B12R1.563 CCCCOCC(=O)CC1CO1 1458a_100000757543_100011216344 [0,1,0,1,0,0|2,0,0]=4 16978 B12R1.563 CCCCOCC(=O)CC1CS1 1458a_100000757543_100000031435 [0,1,0,1,0,0|2,0,0]=4 16979 B12R1.563 CCCCOCC(=O)C[C@@H]1CO1 1458a_100000757543_100000745022 [0,1,0,1,0,0|2,0,0]=4 16980 B12R1.563 CCCCOCC(=O)NC1CC1 1626a_100000212008_100000757543 [0,1,0,1,0,0|2,0,0]=4 16981 B12R1.563 CCCCOCC(=O)NC1CC1 240690a_100000212008_100000757543 [0,1,0,1,0,0|2,0,0]=4 16982 B12R1.563 CCCCOCC(=O)NC1CC1 34a_100000210227_100000182950 [0,1,0,1,0,0|2,0,0]=4 16983 B12R1.563 CCCCOCC(=O)NC1CC1 527a_100000212008_100000757543 [0,1,0,1,0,0|2,0,0]=4 16984 B12R1.563 CCCCOCC(=O)NC1CC1 7a_100000210227_100000182950 [0,1,0,1,0,0|2,0,0]=4 16985 B12R1.563 CCCCSCC(=O)CC1CC1 1458a_100000191162_100000742324 [0,1,0,1,0,0|2,0,0]=4 16986 B12R1.563 CCCCSCC(=O)CC1CO1 1458a_100000191162_100011216344 [0,1,0,1,0,0|2,0,0]=4 16987 B12R1.563 CCCCSCC(=O)CC1CS1 1458a_100000191162_100000031435 [0,1,0,1,0,0|2,0,0]=4 16988 B12R1.563 CCCCSCC(=O)C[C@@H]1CO1 1458a_100000191162_100000745022 [0,1,0,1,0,0|2,0,0]=4 16989 B12R1.563 CCCCSCC(=O)NC1CC1 1626a_100000212008_100000191162 [0,1,0,1,0,0|2,0,0]=4 16990 B12R1.563 CCCCSCC(=O)NC1CC1 240690a_100000212008_100000191162 [0,1,0,1,0,0|2,0,0]=4 16991 B12R1.563 CCCCSCC(=O)NC1CC1 527a_100000212008_100000191162 [0,1,0,1,0,0|2,0,0]=4 16992 B12R1.563 CCCCSCC(=O)NC1CC1 62a_100000182950_100000210210 [0,1,0,1,0,0|2,0,0]=4 16993 B12R1.563 CCCCSCC(=O)NC1CC1 62a_100000210211_100000182950 [0,1,0,1,0,0|2,0,0]=4 16994 B12R1.563 CCCOCCC(=O)CC1CC1 1458a_100000738066_100011215938 [0,1,0,1,0,0|2,0,0]=4 16995 B12R1.563 CCCOCCC(=O)NC1CC1 34a_100000210258_100000737409 [0,1,0,1,0,0|2,0,0]=4 16996 B12R1.563 CCCSCCC(=O)NC1CC1 62a_100000210303_100000737409 [0,1,0,1,0,0|2,0,0]=4 16997 B12R1.563 CCCSCCC(=O)NC1CC1 62a_100000737409_100000210303 [0,1,0,1,0,0|2,0,0]=4 16998 B12R1.563 CCOCCCC(=O)CC1CC1 1458a_100000738066_100012232248 [0,1,0,1,0,0|2,0,0]=4 16999 B12R1.563 COCCCCC(=O)CC1CC1 1458a_100000738066_100000755781 [0,1,0,1,0,0|2,0,0]=4 17000 B12R1.563 O=C(CCCCCF)CC1CC1 1458a_100000738066_100000729378 [0,1,0,1,0,0|2,0,0]=4 17001 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100000738066_100000746330 [0,1,0,1,0,0|2,0,0]=4 17002 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100102619762_100000742324 [0,1,0,1,0,0|2,0,0]=4 17003 B12R1.563 O=C(CCCCCO)CC1CO1 1458a_100102619762_100011216344 [0,1,0,1,0,0|2,0,0]=4 17004 B12R1.563 O=C(CCCCCO)CC1CS1 1458a_100102619762_100000031435 [0,1,0,1,0,0|2,0,0]=4 17005 B12R1.563 O=C(CCCCCO)C[C@@H]1CO1 1458a_100102619762_100000745022 [0,1,0,1,0,0|2,0,0]=4 17006 B12R1.563 O=C(CCCCCO)NC1CC1 240690a_100000212008_100102619762 [0,1,0,1,0,0|2,0,0]=4 17007 B12R1.1376 CC(C)CC(=O)NCC1CCC1 11a_100000738700_100000210554 [0,1,0,1,0,0|2,0,0]=4 17008 B12R1.1376 CC(C)CC(=O)NCC1CCC1 1626a_100000738700_100000210554 [0,1,0,1,0,0|2,0,0]=4 17009 B12R1.1376 CC(C)CC(=O)NCC1CCC1 240690a_100000738700_100000210554 [0,1,0,1,0,0|2,0,0]=4 17010 B12R1.1376 CC(C)CC(=O)NCC1CCC1 527a_100000738700_100000210554 [0,1,0,1,0,0|2,0,0]=4 17011 B12R1.1376 CC(C)NC(=O)CCN1CCC1 269982a_100000754969_100000737564 [0,1,0,1,0,0|2,0,0]=4 17012 B12R1.1376 CC(C)NC(=O)CNC1CCC1 2230a_100000749019_100000183996 [0,1,0,1,0,0|2,0,0]=4 17013 B12R1.1376 CC(C)NC(=O)CNC1CCC1 270004a_100000168517_100000241760 [0,1,0,1,0,0|2,0,0]=4 17014 B12R1.1376 CC(C)NC(=O)CNC1CCC1 34a_100000749019_100000183996 [0,1,0,1,0,0|2,0,0]=4 17015 B12R1.1376 CC(C)NC(=O)COC1CCC1 34a_100000748187_100000183996 [0,1,0,1,0,0|2,0,0]=4 17016 B12R1.1376 CC(C)NC(=O)CSC1CCC1 62a_100000183996_100000749161 [0,1,0,1,0,0|2,0,0]=4 17017 B12R1.1376 CC(C)NC(=O)NCC1CCC1 2708a_100000738700_100138425928 [0,1,0,1,0,0|2,0,0]=4 17018 B12R1.1376 CC(C)NC(=O)NCC1CCC1 2708a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 17019 B12R1.1376 CC(C)NC(=O)NCC1CCC1 273464a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 17020 B12R1.1376 CC(C)NC(=O)NCC1CCC1 512a_100000738700_100138425928 [0,1,0,1,0,0|2,0,0]=4 17021 B12R1.1376 CC(C)NC(=O)NCC1CCC1 512a_100138425928_100000738700 [0,1,0,1,0,0|2,0,0]=4 17022 B12R1.1376 CC(C)OC(=O)CCN1CCC1 269982a_100000754969_100000760027 [0,1,0,1,0,0|1,0,0]=3 17023 B12R1.1376 CC(C)OC(=O)CNC1CCC1 2230a_100000749019_100011215430 [0,1,0,1,0,0|1,0,0]=3 17024 B12R1.1376 CC(C)OC(=O)CNC1CCC1 34a_100000749019_100011215430 [0,1,0,1,0,0|1,0,0]=3 17025 B12R1.1376 CC(C)OC(=O)CNC1COC1 2230a_100016991112_100011215430 [0,1,0,1,0,0|2,0,0]=4 17026 B12R1.1376 CC(C)OC(=O)COC1CCC1 34a_100000748187_100011215430 [0,1,0,1,0,0|1,0,0]=3 17027 B12R1.1376 CC(C)OC(=O)COC1CSC1 7a_100000072292_100011215430 [0,1,0,1,0,0|2,0,0]=4 17028 B12R1.1376 CC(C)OC(=O)CSC1CCC1 62a_100011215430_100000749161 [0,1,0,1,0,0|1,0,0]=3 17029 B12R1.1376 CC(C)OC(=O)CSC1COC1 62a_100011215430_100009818527 [0,1,0,1,0,0|2,0,0]=4 17030 B12R1.1376 CC(C)OC(=O)OCN1CCC1 269982a_100000754969_100010125566 [0,1,0,1,0,0|2,0,0]=4 17031 B12R1.1376 C[C@@H](O)CC(=O)NCC1CCC1 240690a_100000738700_100011933948 [0,1,0,1,0,0|2,0,0]=4 17032 B12R1.1377 CC(C)CC(=O)CCCC1CO1 1458a_100000210554_100000733510 [0,1,0,1,0,0|2,0,0]=4 17033 B12R1.1377 CC(C)CC(=O)CSCC1CC1 1458a_200011316215_100000210624 [0,1,0,1,0,0|2,0,0]=4 17034 B12R1.1377 CC(C)CC(=O)NCCC1CC1 1626a_100000764129_100000210554 [0,1,0,1,0,0|2,0,0]=4 17035 B12R1.1377 CC(C)CC(=O)NCCC1CC1 240690a_100000764129_100000210554 [0,1,0,1,0,0|2,0,0]=4 17036 B12R1.1377 CC(C)CC(=O)NCCC1CC1 527a_100000764129_100000210554 [0,1,0,1,0,0|2,0,0]=4 17037 B12R1.1377 CC(C)NC(=O)CCSC1CC1 62a_100000737564_100000211595 [0,1,0,1,0,0|2,0,0]=4 17038 B12R1.1377 CC(C)NC(=O)CNCC1CC1 2230a_100000168517_100000742324 [0,1,0,1,0,0|2,0,0]=4 17039 B12R1.1377 CC(C)NC(=O)CNCC1CC1 2230a_100000735609_100000183996 [0,1,0,1,0,0|2,0,0]=4 17040 B12R1.1377 CC(C)NC(=O)CNCC1CC1 269862a_100000168517_100000741477 [0,1,0,1,0,0|2,0,0]=4 17041 B12R1.1377 CC(C)NC(=O)CNCC1CC1 34a_100000735609_100000183996 [0,1,0,1,0,0|2,0,0]=4 17042 B12R1.1377 CC(C)NC(=O)COCC1CC1 34a_100000211283_100000183996 [0,1,0,1,0,0|2,0,0]=4 17043 B12R1.1377 CC(C)NC(=O)CSCC1CC1 11a_100138425928_200011316215 [0,1,0,1,0,0|2,0,0]=4 17044 B12R1.1377 CC(C)NC(=O)CSCC1CC1 1626a_100138425928_200011316215 [0,1,0,1,0,0|2,0,0]=4 17045 B12R1.1377 CC(C)NC(=O)CSCC1CC1 240690a_100138425928_200011316215 [0,1,0,1,0,0|2,0,0]=4 17046 B12R1.1377 CC(C)NC(=O)CSCC1CC1 527a_100138425928_200011316215 [0,1,0,1,0,0|2,0,0]=4 17047 B12R1.1377 CC(C)NC(=O)CSCC1CC1 62a_100000183996_100000742324 [0,1,0,1,0,0|2,0,0]=4 17048 B12R1.1377 CC(C)NC(=O)CSCC1CC1 62a_100000756562_100000183996 [0,1,0,1,0,0|2,0,0]=4 17049 B12R1.1377 CC(C)NC(=O)NCCC1CC1 2708a_100000764129_100138425928 [0,1,0,1,0,0|2,0,0]=4 17050 B12R1.1377 CC(C)NC(=O)NCCC1CC1 2708a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 17051 B12R1.1377 CC(C)NC(=O)NCCC1CC1 273464a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 17052 B12R1.1377 CC(C)NC(=O)NCCC1CC1 512a_100000764129_100138425928 [0,1,0,1,0,0|2,0,0]=4 17053 B12R1.1377 CC(C)NC(=O)NCCC1CC1 512a_100138425928_100000764129 [0,1,0,1,0,0|2,0,0]=4 17054 B12R1.1377 CC(C)OC(=O)CCSC1CC1 62a_100000760027_100000211595 [0,1,0,1,0,0|1,0,0]=3 17055 B12R1.1377 CC(C)OC(=O)CNCC1CC1 2230a_100000735609_100011215430 [0,1,0,1,0,0|1,0,0]=3 17056 B12R1.1377 CC(C)OC(=O)CNCC1CC1 34a_100000735609_100011215430 [0,1,0,1,0,0|1,0,0]=3 17057 B12R1.1377 CC(C)OC(=O)COCC1CC1 34a_100000211283_100011215430 [0,1,0,1,0,0|1,0,0]=3 17058 B12R1.1377 CC(C)OC(=O)COC[C@@H]1CO1 34a_100000757423_100011215430 [0,1,0,1,0,0|2,0,0]=4 17059 B12R1.1377 CC(C)OC(=O)CSCC1CC1 62a_100000756562_100011215430 [0,1,0,1,0,0|1,0,0]=3 17060 B12R1.1377 CC(C)OC(=O)CSCC1CC1 62a_100011215430_100000742324 [0,1,0,1,0,0|1,0,0]=3 17061 B12R1.1377 CC(C)OC(=O)CSCC1CO1 62a_100011215430_102125554688 [0,1,0,1,0,0|2,0,0]=4 17062 B12R1.1377 CC(C)OC(=O)CSCC1CO1 62a_102125554688_100011215430 [0,1,0,1,0,0|2,0,0]=4 17063 B12R1.1377 CC(C)OC(=O)CSCC1CS1 62a_100000031435_100011215430 [0,1,0,1,0,0|2,0,0]=4 17064 B12R1.1377 CC(C)OC(=O)CSCC1CS1 62a_100011215430_100000031435 [0,1,0,1,0,0|2,0,0]=4 17065 B12R1.1377 CC(C)OC(=O)CSC[C@@H]1CO1 62a_100000745022_100011215430 [0,1,0,1,0,0|2,0,0]=4 17066 B12R1.1377 CC(C)OC(=O)CSC[C@@H]1CO1 62a_100011215430_100000745022 [0,1,0,1,0,0|2,0,0]=4 17067 B12R1.1377 CC(C)OC(=O)OCSC1CC1 62a_100000003507_100000211595 [0,1,0,1,0,0|2,0,0]=4 17068 B12R1.1377 CC(O)CC(=O)CSCC1CC1 1458a_200011316215_100011218427 [0,1,0,1,0,0|2,0,0]=4 17069 B12R1.1377 C[C@@H](O)CC(=O)CCCC1CO1 1458a_100011933948_100000733510 [0,1,0,1,0,0|2,0,0]=4 17070 B12R1.1377 C[C@@H](O)CC(=O)NCCC1CC1 240690a_100000764129_100011933948 [0,1,0,1,0,0|2,0,0]=4 17071 B12R1.1392 CC(C)OC1CCCCCCC1 34a_100000210054_100000210206 [0,1,0,1,0,0|1,0,1]=4 17072 B12R1.1392 CC(C)OC1CCCCCCC1 7a_100000210054_100000210206 [0,1,0,1,0,0|1,0,1]=4 17073 B12R1.1829 CC(C)OC1(CCCCCC1)C 34a_100000708895_100000210206 [0,1,0,1,0,0|1,0,1]=4 17074 B12R1.1829 CC(C)OC1(CCCCCC1)C 7a_100000708895_100000210206 [0,1,0,1,0,0|1,0,1]=4 17075 B12R1.2563 CC1CC1C(=O)CCCCCF 1458a_100000211227_100000729378 [0,1,0,1,0,0|2,0,0]=4 17076 B12R1.2563 CC1CC1C(=O)CCCCCO 1458a_100000211227_100000746330 [0,1,0,1,0,0|2,0,0]=4 17077 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,1,0,1,0,0|1,0,0]=3 17078 B12R1.2563 CCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210757 [0,1,0,1,0,0|1,0,0]=3 17079 B12R1.2563 CCCCCNC(=O)C1CC1C 11a_100000209983_100000211227 [0,1,0,1,0,0|2,0,0]=4 17080 B12R1.2563 CCCCCNC(=O)C1CC1C 1626a_100000209983_100000211227 [0,1,0,1,0,0|2,0,0]=4 17081 B12R1.2563 CCCCCNC(=O)C1CC1C 527a_100000209983_100000211227 [0,1,0,1,0,0|2,0,0]=4 17082 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 17083 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 17084 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 17085 B12R1.2563 CCCCOCC(=O)C1CC1C 1458a_100000211227_100011995733 [0,1,0,1,0,0|2,0,0]=4 17086 B12R1.2563 CCCCOCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011995733 [0,1,0,1,0,0|2,0,0]=4 17087 B12R1.2563 CCCOCCC(=O)C1CC1C 1458a_100000211227_100011215938 [0,1,0,1,0,0|2,0,0]=4 17088 B12R1.2563 CCCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215938 [0,1,0,1,0,0|2,0,0]=4 17089 B12R1.2563 CCOCCCC(=O)C1CC1C 1458a_100000211227_100012232248 [0,1,0,1,0,0|2,0,0]=4 17090 B12R1.2563 CCOCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100012232248 [0,1,0,1,0,0|2,0,0]=4 17091 B12R1.2563 COCCCCC(=O)C1CC1C 1458a_100000211227_100000755781 [0,1,0,1,0,0|2,0,0]=4 17092 B12R1.2563 COCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000755781 [0,1,0,1,0,0|2,0,0]=4 17093 B12R1.2563 O=C(CCCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100000729378 [0,1,0,1,0,0|2,0,0]=4 17094 B12R1.2563 O=C(CCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000746330 [0,1,0,1,0,0|2,0,0]=4 17095 B12R1.28 C#CCCCN1CCOC(=O)C1 2230a_100000131268_100000731252 [0,1,0,1,0,0|0,0,2]=4 17096 B12R1.28 C=CCCCN1CCOC(=O)C1 2230a_100000131268_100011713584 [0,1,0,1,0,0|0,0,2]=4 17097 B12R1.28 CC/C=C\CN1CCOC(=O)C1 2230a_100000131268_100103147603 [0,1,0,1,0,0|0,0,2]=4 17098 B12R1.28 CCC#CCN1CCOC(=O)C1 2230a_100000131268_100009813939 [0,1,0,1,0,0|0,0,2]=4 17099 B12R1.28 CCCCCN1CCC=C(C1)C 2230a_100000725631_100000210326 [0,1,0,1,0,0|2,0,0]=4 17100 B12R1.28 CCCCCN1CCC=C(C1)C 269982a_100000725631_100000210215 [0,1,0,1,0,0|2,0,0]=4 17101 B12R1.28 CCCCCN1CCC=C(C1)C 34a_100000725631_100000718602 [0,1,0,1,0,0|2,0,0]=4 17102 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,1,0,1,0,0|1,0,0]=3 17103 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,1,0,1,0,0|0,0,0]=2 17104 B12R1.28 CCCCCN1CCOC(C1)C 2230a_100000729577_100000210326 [0,1,0,1,0,0|1,0,1]=4 17105 B12R1.28 CCCCCN1CCOC(C1)C 269982a_100000729577_100000210215 [0,1,0,1,0,0|1,0,1]=4 17106 B12R1.28 CCCCCN1CCOC(C1)C 34a_100000729577_100000718602 [0,1,0,1,0,0|1,0,1]=4 17107 B12R1.28 CCCCCN1CCOC(C1)O 2230a_100000688207_100000210326 [0,1,0,1,0,0|0,0,2]=4 17108 B12R1.28 CCCCCN1CCOC(C1)O 269982a_100000688207_100000210215 [0,1,0,1,0,0|0,0,2]=4 17109 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,1,0,1,0,0|1,0,0]=3 17110 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,1,0,1,0,0|1,0,0]=3 17111 B12R1.28 CCCCNC1CCOC(C1)C 270004a_100000102301_100000755752 [0,1,0,1,0,0|1,0,1]=4 17112 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,1,0,1,0,0|1,0,0]=3 17113 B12R1.28 CCCCOC1CCOC(C1)C 34a_100011986385_100000210210 [0,1,0,1,0,0|1,0,1]=4 17114 B12R1.28 CCCCOC1CCOC(C1)C 7a_100011986385_100000210211 [0,1,0,1,0,0|1,0,1]=4 17115 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,1,0,1,0,0|1,0,0]=3 17116 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,1,0,1,0,0|2,0,0]=4 17117 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,1,0,1,0,0|1,0,0]=3 17118 B12R1.28 CCOCCN1CCNC(=O)C1 2230a_100000184651_100011215890 [0,1,0,1,0,0|2,0,0]=4 17119 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,1,0,1,0,0|1,0,0]=3 17120 B12R1.28 CCSCCN1CCNC(=O)C1 2230a_100000184651_100000757381 [0,1,0,1,0,0|2,0,0]=4 17121 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,1,0,1,0,0|1,0,0]=3 17122 B12R1.28 CNCCCN1CCNC(=O)C1 2230a_100000757908_200000210301 [0,1,0,1,0,0|2,0,0]=4 17123 B12R1.28 COCCCN1CCNC(=O)C1 2230a_100000184651_100000740836 [0,1,0,1,0,0|2,0,0]=4 17124 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,1,0,1,0,0|1,0,0]=3 17125 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,1,0,1,0,0|2,0,0]=4 17126 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,1,0,1,0,0|2,0,0]=4 17127 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,1,0,1,0,0|2,0,0]=4 17128 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,1,0,1,0,0|2,0,0]=4 17129 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,1,0,1,0,0|2,0,0]=4 17130 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,1,0,1,0,0|2,0,0]=4 17131 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,1,0,1,0,0|2,0,0]=4 17132 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,1,0,1,0,0|2,0,0]=4 17133 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,1,0,1,0,0|2,0,0]=4 17134 B12R1.28 N#CCCCN1CCOC(=O)C1 2230a_100000131268_100000687738 [0,1,0,1,0,0|1,0,1]=4 17135 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,1,0,1,0,0|2,0,0]=4 17136 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,1,0,1,0,0|2,0,0]=4 17137 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,1,0,1,0,0|2,0,0]=4 17138 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,1,0,1,0,0|2,0,0]=4 17139 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,1,0,1,0,0|2,0,0]=4 17140 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,1,0,1,0,0|2,0,0]=4 17141 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,1,0,1,0,0|2,0,0]=4 17142 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,1,0,1,0,0|2,0,0]=4 17143 B12R1.28 O=C1CN(CCN1)CCCCF 2230a_100000184651_100000729493 [0,1,0,1,0,0|2,0,0]=4 17144 B12R1.28 O=C1CN(CCN1)CCCCO 2230a_100000184651_100000210776 [0,1,0,1,0,0|2,0,0]=4 17145 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,1,0,1,0,0|1,0,0]=3 17146 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,1,0,1,0,0|1,0,0]=3 17147 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,1,0,1,0,0|2,0,0]=4 17148 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,1,0,1,0,0|2,0,0]=4 17149 B12R1.28 O=CCCCN1CCOC(=O)C1 2230a_100000131268_200011292268 [0,1,0,1,0,0|1,0,1]=4 17150 B12R1.28 [13CH3]NCCCN1CCNC(=O)C1 2230a_100000757908_200025704644 [0,1,0,1,0,0|2,0,0]=4 17151 B12R1.32 CC#CC(=O)CC1CCCCC1 1458a_100000763181_100000211423 [0,1,0,1,0,0|1,0,1]=4 17152 B12R1.32 CC#CC(=O)CC1CCCCO1 1458a_100000763181_100000211543 [0,1,0,1,0,0|1,0,1]=4 17153 B12R1.32 CC#CC(=O)CC1CCCOC1 1458a_100000763181_100000741521 [0,1,0,1,0,0|1,0,1]=4 17154 B12R1.32 CC#CC(=O)CC1CCOCC1 1458a_100000763181_100000754603 [0,1,0,1,0,0|1,0,1]=4 17155 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [0,1,0,1,0,0|1,0,1]=4 17156 B12R1.32 CC=CC(=O)CC1CCCCO1 1458a_100000210699_100000211543 [0,1,0,1,0,0|1,0,1]=4 17157 B12R1.32 CC=CC(=O)CC1CCCOC1 1458a_100000210699_100000741521 [0,1,0,1,0,0|1,0,1]=4 17158 B12R1.32 CC=CC(=O)CC1CCOCC1 1458a_100000210699_100000754603 [0,1,0,1,0,0|1,0,1]=4 17159 B12R1.32 CC=CC(=O)NC1CCCCC1 11a_100000182618_100000210699 [0,1,0,1,0,0|1,0,1]=4 17160 B12R1.32 CC=CC(=O)NC1CCCCC1 1626a_100000182618_100000210699 [0,1,0,1,0,0|1,0,1]=4 17161 B12R1.32 CC=CC(=O)NC1CCCCC1 240690a_100000182618_100000210699 [0,1,0,1,0,0|1,0,1]=4 17162 B12R1.32 CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210303 [0,1,0,1,0,0|1,0,1]=4 17163 B12R1.32 CCCC(=O)CC1=CCCCC1 1458a_100000039269_100000210303 [0,1,0,1,0,0|1,0,1]=4 17164 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,1,0,1,0,0|1,0,0]=3 17165 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,1,0,1,0,0|1,0,0]=3 17166 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,1,0,1,0,0|1,0,0]=3 17167 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,1,0,1,0,0|1,0,0]=3 17168 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,1,0,1,0,0|1,0,0]=3 17169 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,1,0,1,0,0|1,0,0]=3 17170 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [0,1,0,1,0,0|1,0,0]=3 17171 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [0,1,0,1,0,0|1,0,0]=3 17172 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [0,1,0,1,0,0|1,0,0]=3 17173 B12R1.32 CCCC(=O)CN1CCCOC1 2230a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 17174 B12R1.32 CCCC(=O)CN1CCCOC1 269982a_100000131196_100000747444 [0,1,0,1,0,0|2,0,0]=4 17175 B12R1.32 CCCC(=O)CN1CCOCC1 1458a_100000740321_100000210303 [0,1,0,1,0,0|2,0,0]=4 17176 B12R1.32 CCCC(=O)CN1CCOCC1 2230a_100015191051_100000747444 [0,1,0,1,0,0|2,0,0]=4 17177 B12R1.32 CCCC(=O)CN1CCOCC1 269982a_100015191051_100000747444 [0,1,0,1,0,0|2,0,0]=4 17178 B12R1.32 CCCC(=O)CN1CCSCC1 2230a_100000737611_100000747444 [0,1,0,1,0,0|2,0,0]=4 17179 B12R1.32 CCCC(=O)CN1CCSCC1 269982a_100000737611_100000747444 [0,1,0,1,0,0|2,0,0]=4 17180 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 17181 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 17182 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 17183 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [0,1,0,1,0,0|1,0,0]=3 17184 B12R1.32 CCCC(=O)NC1CCCOC1 11a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 17185 B12R1.32 CCCC(=O)NC1CCCOC1 1626a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 17186 B12R1.32 CCCC(=O)NC1CCCOC1 240690a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 17187 B12R1.32 CCCC(=O)NC1CCCOC1 527a_100000719290_100000211992 [0,1,0,1,0,0|2,0,0]=4 17188 B12R1.32 CCCC(=O)NC1CCOCC1 11a_100000741149_100000211992 [0,1,0,1,0,0|2,0,0]=4 17189 B12R1.32 CCCC(=O)NC1CCOCC1 1626a_100000741149_100000211992 [0,1,0,1,0,0|2,0,0]=4 17190 B12R1.32 CCCC(=O)NC1CCOCC1 240690a_100000741149_100000211992 [0,1,0,1,0,0|2,0,0]=4 17191 B12R1.32 CCCC(=O)NC1CCOCC1 527a_100000741149_100000211992 [0,1,0,1,0,0|2,0,0]=4 17192 B12R1.32 CCCC(=O)NC1CCSCC1 11a_100000748639_100000211992 [0,1,0,1,0,0|2,0,0]=4 17193 B12R1.32 CCCC(=O)NC1CCSCC1 1626a_100000748639_100000211992 [0,1,0,1,0,0|2,0,0]=4 17194 B12R1.32 CCCC(=O)NC1CCSCC1 240690a_100000748639_100000211992 [0,1,0,1,0,0|2,0,0]=4 17195 B12R1.32 CCCC(=O)NC1CCSCC1 527a_100000748639_100000211992 [0,1,0,1,0,0|2,0,0]=4 17196 B12R1.32 CCNC(=O)C=C1CCCCC1 11a_100015525214_100000743792 [0,1,0,1,0,0|1,0,1]=4 17197 B12R1.32 CCNC(=O)C=C1CCCCC1 240690a_100015525214_100000743792 [0,1,0,1,0,0|1,0,1]=4 17198 B12R1.32 CCNC(=O)CC1=CCCCC1 11a_100015525214_100000039269 [0,1,0,1,0,0|1,0,1]=4 17199 B12R1.32 CCNC(=O)CC1=CCCCC1 240690a_100015525214_100000039269 [0,1,0,1,0,0|1,0,1]=4 17200 B12R1.32 CCNC(=O)CC1=CCCCC1 527a_100015525214_100000039269 [0,1,0,1,0,0|1,0,1]=4 17201 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 17202 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 17203 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,1,0,1,0,0|1,0,0]=3 17204 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 17205 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 17206 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,1,0,1,0,0|1,0,0]=3 17207 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 17208 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 17209 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [0,1,0,1,0,0|1,0,0]=3 17210 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [0,1,0,1,0,0|1,0,0]=3 17211 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [0,1,0,1,0,0|1,0,0]=3 17212 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [0,1,0,1,0,0|1,0,0]=3 17213 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [0,1,0,1,0,0|1,0,0]=3 17214 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [0,1,0,1,0,0|1,0,0]=3 17215 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [0,1,0,1,0,0|1,0,0]=3 17216 B12R1.32 CCNC(=O)CN1CCCOC1 2230a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 17217 B12R1.32 CCNC(=O)CN1CCCOC1 269982a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 17218 B12R1.32 CCNC(=O)CN1CCCOC1 34a_100000131196_100000183381 [0,1,0,1,0,0|2,0,0]=4 17219 B12R1.32 CCNC(=O)CN1CCOCC1 11a_100015525214_100000740321 [0,1,0,1,0,0|2,0,0]=4 17220 B12R1.32 CCNC(=O)CN1CCOCC1 2230a_100015191051_100000183381 [0,1,0,1,0,0|2,0,0]=4 17221 B12R1.32 CCNC(=O)CN1CCOCC1 240690a_100015525214_100000740321 [0,1,0,1,0,0|2,0,0]=4 17222 B12R1.32 CCNC(=O)CN1CCOCC1 269982a_100015191051_100000183381 [0,1,0,1,0,0|2,0,0]=4 17223 B12R1.32 CCNC(=O)CN1CCOCC1 34a_100015191051_100000183381 [0,1,0,1,0,0|2,0,0]=4 17224 B12R1.32 CCNC(=O)CN1CCOCC1 527a_100015525214_100000740321 [0,1,0,1,0,0|2,0,0]=4 17225 B12R1.32 CCNC(=O)CN1CCSCC1 2230a_100000737611_100000183381 [0,1,0,1,0,0|2,0,0]=4 17226 B12R1.32 CCNC(=O)CN1CCSCC1 269982a_100000737611_100000183381 [0,1,0,1,0,0|2,0,0]=4 17227 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [0,1,0,1,0,0|1,0,0]=3 17228 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [0,1,0,1,0,0|1,0,0]=3 17229 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [0,1,0,1,0,0|1,0,0]=3 17230 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [0,1,0,1,0,0|1,0,0]=3 17231 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 17232 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 17233 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 17234 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 17235 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100000719290_100015525214 [0,1,0,1,0,0|2,0,0]=4 17236 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100015525214_100000719290 [0,1,0,1,0,0|2,0,0]=4 17237 B12R1.32 CCNC(=O)NC1CCOCC1 2708a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 17238 B12R1.32 CCNC(=O)NC1CCOCC1 2708a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 17239 B12R1.32 CCNC(=O)NC1CCOCC1 273464a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 17240 B12R1.32 CCNC(=O)NC1CCOCC1 273464a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 17241 B12R1.32 CCNC(=O)NC1CCOCC1 512a_100000741149_100015525214 [0,1,0,1,0,0|2,0,0]=4 17242 B12R1.32 CCNC(=O)NC1CCOCC1 512a_100015525214_100000741149 [0,1,0,1,0,0|2,0,0]=4 17243 B12R1.32 CCNC(=O)NC1CCSCC1 2708a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 17244 B12R1.32 CCNC(=O)NC1CCSCC1 2708a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 17245 B12R1.32 CCNC(=O)NC1CCSCC1 273464a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 17246 B12R1.32 CCNC(=O)NC1CCSCC1 273464a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 17247 B12R1.32 CCNC(=O)NC1CCSCC1 512a_100000748639_100015525214 [0,1,0,1,0,0|2,0,0]=4 17248 B12R1.32 CCNC(=O)NC1CCSCC1 512a_100015525214_100000748639 [0,1,0,1,0,0|2,0,0]=4 17249 B12R1.32 CCOC(=O)CN1CC=CCC1 2230a_100000698166_100000188475 [0,1,0,1,0,0|0,0,2]=4 17250 B12R1.32 CCOC(=O)CN1CC=CCC1 269982a_100000698166_100000188475 [0,1,0,1,0,0|0,0,2]=4 17251 B12R1.32 CCOC(=O)CN1CC=CCC1 34a_100000698166_100000188475 [0,1,0,1,0,0|0,0,2]=4 17252 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,1,0,1,0,0|1,0,0]=3 17253 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,1,0,1,0,0|1,0,0]=3 17254 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,1,0,1,0,0|1,0,0]=3 17255 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [0,1,0,1,0,0|1,0,0]=3 17256 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [0,1,0,1,0,0|1,0,0]=3 17257 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [0,1,0,1,0,0|1,0,0]=3 17258 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [0,1,0,1,0,0|1,0,0]=3 17259 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [0,1,0,1,0,0|1,0,0]=3 17260 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_100015207117_200000210301 [0,1,0,1,0,0|2,0,0]=4 17261 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_106832991635_100000183541 [0,1,0,1,0,0|2,0,0]=4 17262 B12R1.32 CNCC(=O)NC1CCCCC1 34a_100102657272_100000183541 [0,1,0,1,0,0|2,0,0]=4 17263 B12R1.32 CNCC(=O)NC1CCCCC1 7a_106832991635_100000183541 [0,1,0,1,0,0|2,0,0]=4 17264 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,1,0,1,0,0|2,0,0]=4 17265 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,1,0,1,0,0|2,0,0]=4 17266 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,1,0,1,0,0|2,0,0]=4 17267 B12R1.32 CNNC(=O)CC1CCCCC1 22a_100016993582_100000211666 [0,1,0,1,0,0|2,0,0]=4 17268 B12R1.32 CNNC(=O)CC1CCCCO1 22a_100016993582_100000238585 [0,1,0,1,0,0|2,0,0]=4 17269 B12R1.32 CNNC(=O)CC1CCCOC1 22a_100016993582_100000741523 [0,1,0,1,0,0|2,0,0]=4 17270 B12R1.32 CNNC(=O)CC1CCOCC1 22a_100016993582_100000757261 [0,1,0,1,0,0|2,0,0]=4 17271 B12R1.32 CNNC(=O)CN1CCCCC1 22a_100016993582_100000740322 [0,1,0,1,0,0|2,0,0]=4 17272 B12R1.32 CNNC(=O)NC1CCCCC1 273464a_100000182618_100016993582 [0,1,0,1,0,0|2,0,0]=4 17273 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,1,0,1,0,0|2,0,0]=4 17274 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,1,0,1,0,0|2,0,0]=4 17275 B12R1.32 COCC(=O)CC1CCCOC1 1458a_100000210968_100000741521 [0,1,0,1,0,0|2,0,0]=4 17276 B12R1.32 COCC(=O)CC1CCOCC1 1458a_100000210968_100000754603 [0,1,0,1,0,0|2,0,0]=4 17277 B12R1.32 COCC(=O)NC1CCCCC1 11a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 17278 B12R1.32 COCC(=O)NC1CCCCC1 1626a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 17279 B12R1.32 COCC(=O)NC1CCCCC1 240690a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 17280 B12R1.32 COCC(=O)NC1CCCCC1 34a_100138415774_100000183541 [0,1,0,1,0,0|2,0,0]=4 17281 B12R1.32 COCC(=O)NC1CCCCC1 527a_100000182618_100000210968 [0,1,0,1,0,0|2,0,0]=4 17282 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,1,0,1,0,0|2,0,0]=4 17283 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [0,1,0,1,0,0|2,0,0]=4 17284 B12R1.32 CSCC(=O)CC1CCCCO1 1458a_100000184570_100000211543 [0,1,0,1,0,0|2,0,0]=4 17285 B12R1.32 CSCC(=O)CC1CCCOC1 1458a_100000184570_100000741521 [0,1,0,1,0,0|2,0,0]=4 17286 B12R1.32 CSCC(=O)CC1CCOCC1 1458a_100000184570_100000754603 [0,1,0,1,0,0|2,0,0]=4 17287 B12R1.32 CSCC(=O)NC1CCCCC1 11a_100000182618_100000184570 [0,1,0,1,0,0|2,0,0]=4 17288 B12R1.32 CSCC(=O)NC1CCCCC1 1626a_100000182618_100000184570 [0,1,0,1,0,0|2,0,0]=4 17289 B12R1.32 CSCC(=O)NC1CCCCC1 240690a_100000182618_100000184570 [0,1,0,1,0,0|2,0,0]=4 17290 B12R1.32 CSCC(=O)NC1CCCCC1 527a_100000182618_100000184570 [0,1,0,1,0,0|2,0,0]=4 17291 B12R1.32 CSCC(=O)NC1CCCCC1 62a_100000183541_200000210301 [0,1,0,1,0,0|2,0,0]=4 17292 B12R1.32 CSCC(=O)NC1CCCCC1 62a_200000210301_100000183541 [0,1,0,1,0,0|2,0,0]=4 17293 B12R1.32 CSCC(=O)OC1CCCCC1 62a_100000041653_200000210301 [0,1,0,1,0,0|2,0,0]=4 17294 B12R1.32 CSCC(=O)OC1CCCCC1 62a_200000210301_100000041653 [0,1,0,1,0,0|2,0,0]=4 17295 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,1,0,1,0,0|2,0,0]=4 17296 B12R1.32 O=C(CCF)CC1CCCCO1 1458a_100000238585_100011217306 [0,1,0,1,0,0|2,0,0]=4 17297 B12R1.32 O=C(CCF)CC1CCCOC1 1458a_100000741523_100011217306 [0,1,0,1,0,0|2,0,0]=4 17298 B12R1.32 O=C(CCF)CC1CCOCC1 1458a_100000757261_100011217306 [0,1,0,1,0,0|2,0,0]=4 17299 B12R1.32 O=C(CCF)CN1CCCCC1 1458a_100000740322_100011217306 [0,1,0,1,0,0|2,0,0]=4 17300 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,1,0,1,0,0|2,0,0]=4 17301 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,1,0,1,0,0|2,0,0]=4 17302 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,1,0,1,0,0|2,0,0]=4 17303 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,1,0,1,0,0|2,0,0]=4 17304 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100000741523_100000211926 [0,1,0,1,0,0|2,0,0]=4 17305 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100011216618_100000741521 [0,1,0,1,0,0|2,0,0]=4 17306 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100000757261_100000211926 [0,1,0,1,0,0|2,0,0]=4 17307 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100011216618_100000754603 [0,1,0,1,0,0|2,0,0]=4 17308 B12R1.32 O=C(CCO)CN1CCCCC1 1458a_100000740322_100000211926 [0,1,0,1,0,0|2,0,0]=4 17309 B12R1.32 O=C(CCO)NC1CCCCC1 240690a_100000182618_100011216618 [0,1,0,1,0,0|2,0,0]=4 17310 B12R1.32 [13CH3]NCC(=O)NC1CCCCC1 2230a_100015207117_200025704644 [0,1,0,1,0,0|2,0,0]=4 17311 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_100000183541_200025704644 [0,1,0,1,0,0|2,0,0]=4 17312 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_200025704644_100000183541 [0,1,0,1,0,0|2,0,0]=4 17313 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_100000041653_200025704644 [0,1,0,1,0,0|2,0,0]=4 17314 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_200025704644_100000041653 [0,1,0,1,0,0|2,0,0]=4 17315 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,1,0,1,0,0|1,0,1]=4 17316 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,1,0,1,0,0|1,0,1]=4 17317 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [0,1,0,1,0,0|0,0,2]=4 17318 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [0,1,0,1,0,0|0,0,2]=4 17319 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [0,1,0,1,0,0|0,0,2]=4 17320 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,1,0,1,0,0|1,0,1]=4 17321 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,1,0,1,0,0|1,0,1]=4 17322 B12R1.37 CCCCCOCC1=NCCN1 34a_100000210253_100000737910 [0,1,0,1,0,0|2,0,0]=4 17323 B12R1.37 CCCCCOCC1=NCCN1 7a_100000210253_100000737910 [0,1,0,1,0,0|2,0,0]=4 17324 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,1,0,1,0,0|1,0,1]=4 17325 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,1,0,1,0,0|1,0,1]=4 17326 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,1,0,1,0,0|1,0,1]=4 17327 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [0,1,0,1,0,0|0,0,2]=4 17328 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [0,1,0,1,0,0|0,0,2]=4 17329 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [0,1,0,1,0,0|0,0,2]=4 17330 B12R1.37 CCCCCSCC1=NCCN1 62a_100000210326_100000737910 [0,1,0,1,0,0|2,0,0]=4 17331 B12R1.37 CCCCCSCC1=NCCN1 62a_100000737910_100000210326 [0,1,0,1,0,0|2,0,0]=4 17332 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,1,0,1,0,0|1,0,1]=4 17333 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,1,0,1,0,0|1,0,1]=4 17334 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [0,1,0,1,0,0|0,0,2]=4 17335 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [0,1,0,1,0,0|0,0,2]=4 17336 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [0,1,0,1,0,0|0,0,2]=4 17337 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [0,1,0,1,0,0|0,0,2]=4 17338 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [0,1,0,1,0,0|0,0,2]=4 17339 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [0,1,0,1,0,0|0,0,2]=4 17340 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [0,1,0,1,0,0|0,0,2]=4 17341 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [0,1,0,1,0,0|0,0,2]=4 17342 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [0,1,0,1,0,0|0,0,2]=4 17343 B12R1.37 CCCOCCCC1OCCO1 34a_100000210258_100009861162 [0,1,0,1,0,0|0,0,2]=4 17344 B12R1.37 CCCOCCCC1OCCO1 34a_100009871617_100000210303 [0,1,0,1,0,0|0,0,2]=4 17345 B12R1.37 CCCOCCCC1OCCO1 7a_100009871617_100000210303 [0,1,0,1,0,0|0,0,2]=4 17346 B12R1.37 CCCSCCCC1OCCO1 62a_100000210303_100000042513 [0,1,0,1,0,0|0,0,2]=4 17347 B12R1.37 CCNCCCCC1OCCO1 2230a_100015525214_100000034956 [0,1,0,1,0,0|0,0,2]=4 17348 B12R1.37 CCOCCCCC1OCCO1 34a_100121572206_200009813554 [0,1,0,1,0,0|0,0,2]=4 17349 B12R1.37 CCSCCCCC1OCCO1 62a_100000210202_100000034956 [0,1,0,1,0,0|0,0,2]=4 17350 B12R1.51 C=COC(=O)CNC1CCCC1 2230a_100000211070_100000036128 [0,1,0,1,0,0|0,0,2]=4 17351 B12R1.51 C=COC(=O)CNC1CCCC1 34a_100000211070_100000036128 [0,1,0,1,0,0|0,0,2]=4 17352 B12R1.51 C=COC(=O)COC1CCCC1 34a_100000210269_100000036128 [0,1,0,1,0,0|0,0,2]=4 17353 B12R1.51 C=COC(=O)CSC1CCCC1 62a_100000036128_100000179811 [0,1,0,1,0,0|0,0,2]=4 17354 B12R1.51 C=COC(=O)CSC1CCCC1 62a_100011217020_100000036128 [0,1,0,1,0,0|0,0,2]=4 17355 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [0,1,0,1,0,0|1,0,1]=4 17356 B12R1.51 CC#CC(=O)CCN1CCCC1 1458a_100000763181_100000004467 [0,1,0,1,0,0|1,0,1]=4 17357 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [0,1,0,1,0,0|1,0,1]=4 17358 B12R1.51 CC=CC(=O)CCN1CCCC1 1458a_100000210699_100000004467 [0,1,0,1,0,0|1,0,1]=4 17359 B12R1.51 CC=CC(=O)NCC1CCCC1 11a_100000737975_100000210699 [0,1,0,1,0,0|1,0,1]=4 17360 B12R1.51 CC=CC(=O)NCC1CCCC1 1626a_100000737975_100000210699 [0,1,0,1,0,0|1,0,1]=4 17361 B12R1.51 CC=CC(=O)NCC1CCCC1 240690a_100000737975_100000210699 [0,1,0,1,0,0|1,0,1]=4 17362 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,1,0,1,0,0|1,0,0]=3 17363 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,1,0,1,0,0|1,0,0]=3 17364 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,1,0,1,0,0|1,0,0]=3 17365 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,1,0,1,0,0|2,0,0]=4 17366 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,1,0,1,0,0|2,0,0]=4 17367 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [0,1,0,1,0,0|1,0,0]=3 17368 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [0,1,0,1,0,0|1,0,0]=3 17369 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,1,0,1,0,0|2,0,0]=4 17370 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,1,0,1,0,0|1,0,0]=3 17371 B12R1.51 CCCC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747444 [0,1,0,1,0,0|2,0,0]=4 17372 B12R1.51 CCCC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747444 [0,1,0,1,0,0|2,0,0]=4 17373 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,1,0,1,0,0|1,0,0]=3 17374 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,1,0,1,0,0|1,0,0]=3 17375 B12R1.51 CCCC(=O)COC1CCSC1 7a_100011232664_100000747444 [0,1,0,1,0,0|2,0,0]=4 17376 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,1,0,1,0,0|1,0,0]=3 17377 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,1,0,1,0,0|1,0,0]=3 17378 B12R1.51 CCCC(=O)CSC1CCOC1 62a_100000747444_100000690089 [0,1,0,1,0,0|2,0,0]=4 17379 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 17380 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 17381 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 17382 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,1,0,1,0,0|1,0,0]=3 17383 B12R1.51 CCCC(=O)NCC1CCOC1 11a_100000737293_100000211992 [0,1,0,1,0,0|2,0,0]=4 17384 B12R1.51 CCCC(=O)NCC1CCOC1 1626a_100000737293_100000211992 [0,1,0,1,0,0|2,0,0]=4 17385 B12R1.51 CCCC(=O)NCC1CCOC1 240690a_100000737293_100000211992 [0,1,0,1,0,0|2,0,0]=4 17386 B12R1.51 CCCC(=O)NCC1CCOC1 527a_100000737293_100000211992 [0,1,0,1,0,0|2,0,0]=4 17387 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,1,0,1,0,0|2,0,0]=4 17388 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,1,0,1,0,0|2,0,0]=4 17389 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,1,0,1,0,0|2,0,0]=4 17390 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,1,0,1,0,0|2,0,0]=4 17391 B12R1.51 CCCC(=O)NNC1CCCC1 22a_100000737850_100000211992 [0,1,0,1,0,0|2,0,0]=4 17392 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,1,0,1,0,0|2,0,0]=4 17393 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,1,0,1,0,0|2,0,0]=4 17394 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 17395 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 17396 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,1,0,1,0,0|1,0,0]=3 17397 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,1,0,1,0,0|1,0,0]=3 17398 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,1,0,1,0,0|1,0,0]=3 17399 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,1,0,1,0,0|1,0,0]=3 17400 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [0,1,0,1,0,0|1,0,0]=3 17401 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [0,1,0,1,0,0|1,0,0]=3 17402 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [0,1,0,1,0,0|1,0,0]=3 17403 B12R1.51 CCNC(=O)CCN1CCCO1 240690a_100015525214_200015187630 [0,1,0,1,0,0|2,0,0]=4 17404 B12R1.51 CCNC(=O)CCN1CCSC1 2230a_100011215254_100000737597 [0,1,0,1,0,0|2,0,0]=4 17405 B12R1.51 CCNC(=O)CCN1CCSC1 269982a_100011215254_100000737597 [0,1,0,1,0,0|2,0,0]=4 17406 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,1,0,1,0,0|1,0,0]=3 17407 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,1,0,1,0,0|1,0,0]=3 17408 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,1,0,1,0,0|1,0,0]=3 17409 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,1,0,1,0,0|1,0,0]=3 17410 B12R1.51 CCNC(=O)CNC1CCOC1 2230a_100016988866_100000731011 [0,1,0,1,0,0|2,0,0]=4 17411 B12R1.51 CCNC(=O)CNC1CCOC1 270004a_100016988866_100000752484 [0,1,0,1,0,0|2,0,0]=4 17412 B12R1.51 CCNC(=O)CNC1CCSC1 270004a_100016988866_100000212027 [0,1,0,1,0,0|2,0,0]=4 17413 B12R1.51 CCNC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000183381 [0,1,0,1,0,0|2,0,0]=4 17414 B12R1.51 CCNC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000183381 [0,1,0,1,0,0|2,0,0]=4 17415 B12R1.51 CCNC(=O)CN[C@H]1CCOC1 34a_100015188467_100000183381 [0,1,0,1,0,0|2,0,0]=4 17416 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 17417 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 17418 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,1,0,1,0,0|1,0,0]=3 17419 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,1,0,1,0,0|1,0,0]=3 17420 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,1,0,1,0,0|1,0,0]=3 17421 B12R1.51 CCNC(=O)COC1CCCO1 34a_100000085407_100000183381 [0,1,0,1,0,0|2,0,0]=4 17422 B12R1.51 CCNC(=O)COC1CCSC1 7a_100011232664_100000183381 [0,1,0,1,0,0|2,0,0]=4 17423 B12R1.51 CCNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000183381 [0,1,0,1,0,0|2,0,0]=4 17424 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,1,0,1,0,0|1,0,0]=3 17425 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,1,0,1,0,0|1,0,0]=3 17426 B12R1.51 CCNC(=O)CSC1CCOC1 62a_100000183381_100000690089 [0,1,0,1,0,0|2,0,0]=4 17427 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,1,0,1,0,0|1,0,0]=3 17428 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,1,0,1,0,0|1,0,0]=3 17429 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,1,0,1,0,0|1,0,0]=3 17430 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,1,0,1,0,0|1,0,0]=3 17431 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,1,0,1,0,0|1,0,0]=3 17432 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,1,0,1,0,0|1,0,0]=3 17433 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 17434 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 17435 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 17436 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 17437 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100000737293_100015525214 [0,1,0,1,0,0|2,0,0]=4 17438 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100015525214_100000737293 [0,1,0,1,0,0|2,0,0]=4 17439 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100015525214_100020590478 [0,1,0,1,0,0|2,0,0]=4 17440 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 17441 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100015525214_100020590478 [0,1,0,1,0,0|2,0,0]=4 17442 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 17443 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100015525214 [0,1,0,1,0,0|2,0,0]=4 17444 B12R1.51 CCNC(=O)NNC1CCCC1 273464a_100015525214_100000737850 [0,1,0,1,0,0|2,0,0]=4 17445 B12R1.51 CCNC(=O)NNC1CCCC1 512a_100015525214_100000737850 [0,1,0,1,0,0|2,0,0]=4 17446 B12R1.51 CCOC(=O)CCN1CC=CC1 269982a_100015195280_100011206558 [0,1,0,1,0,0|0,0,2]=4 17447 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,1,0,1,0,0|0,0,0]=2 17448 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,1,0,1,0,0|0,0,0]=2 17449 B12R1.51 CCOC(=O)CCN1CCSC1 2230a_100011215254_100011206558 [0,1,0,1,0,0|1,0,0]=3 17450 B12R1.51 CCOC(=O)CCN1CCSC1 269982a_100011215254_100011206558 [0,1,0,1,0,0|1,0,0]=3 17451 B12R1.51 CCOC(=O)CNC1CC=CC1 2230a_100015188752_100000188475 [0,1,0,1,0,0|0,0,2]=4 17452 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,1,0,1,0,0|0,0,0]=2 17453 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,1,0,1,0,0|0,0,0]=2 17454 B12R1.51 CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000188475 [0,1,0,1,0,0|1,0,0]=3 17455 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000188475 [0,1,0,1,0,0|1,0,0]=3 17456 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000188475 [0,1,0,1,0,0|1,0,0]=3 17457 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,1,0,1,0,0|0,0,0]=2 17458 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,1,0,1,0,0|0,0,0]=2 17459 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,1,0,1,0,0|1,0,0]=3 17460 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [0,1,0,1,0,0|1,0,0]=3 17461 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [0,1,0,1,0,0|1,0,0]=3 17462 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,1,0,1,0,0|0,0,0]=2 17463 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,1,0,1,0,0|0,0,0]=2 17464 B12R1.51 CCOC(=O)CSC1CCOC1 62a_100000188475_100000690089 [0,1,0,1,0,0|1,0,0]=3 17465 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [0,1,0,1,0,0|2,0,0]=4 17466 B12R1.51 CNNC(=O)CCC1CCCO1 22a_100016993582_100011247709 [0,1,0,1,0,0|2,0,0]=4 17467 B12R1.51 CNNC(=O)CCN1CCCC1 22a_100016993582_100000738983 [0,1,0,1,0,0|2,0,0]=4 17468 B12R1.51 CNNC(=O)COC1CCCC1 22a_100016993582_100000741352 [0,1,0,1,0,0|2,0,0]=4 17469 B12R1.51 CNNC(=O)NCC1CCCC1 273464a_100000737975_100016993582 [0,1,0,1,0,0|2,0,0]=4 17470 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100000737975_100016993582 [0,1,0,1,0,0|2,0,0]=4 17471 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100016993582_100000737975 [0,1,0,1,0,0|2,0,0]=4 17472 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,1,0,1,0,0|2,0,0]=4 17473 B12R1.51 COCC(=O)CCN1CCCC1 1458a_100000210968_100000004467 [0,1,0,1,0,0|2,0,0]=4 17474 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 17475 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 17476 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 17477 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,1,0,1,0,0|2,0,0]=4 17478 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,1,0,1,0,0|2,0,0]=4 17479 B12R1.51 CSCC(=O)CCN1CCCC1 1458a_100000184570_100000004467 [0,1,0,1,0,0|2,0,0]=4 17480 B12R1.51 CSCC(=O)NCC1CCCC1 11a_100000737975_100000184570 [0,1,0,1,0,0|2,0,0]=4 17481 B12R1.51 CSCC(=O)NCC1CCCC1 1626a_100000737975_100000184570 [0,1,0,1,0,0|2,0,0]=4 17482 B12R1.51 CSCC(=O)NCC1CCCC1 240690a_100000737975_100000184570 [0,1,0,1,0,0|2,0,0]=4 17483 B12R1.51 CSCC(=O)NCC1CCCC1 527a_100000737975_100000184570 [0,1,0,1,0,0|2,0,0]=4 17484 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,1,0,1,0,0|2,0,0]=4 17485 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,1,0,1,0,0|2,0,0]=4 17486 B12R1.51 O=C(CCF)CCN1CCCC1 1458a_100000738983_100011217306 [0,1,0,1,0,0|2,0,0]=4 17487 B12R1.51 O=C(CCF)COC1CCCC1 1458a_100000741352_100011217306 [0,1,0,1,0,0|2,0,0]=4 17488 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,1,0,1,0,0|2,0,0]=4 17489 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,1,0,1,0,0|2,0,0]=4 17490 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,1,0,1,0,0|2,0,0]=4 17491 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100000738983_100000211926 [0,1,0,1,0,0|2,0,0]=4 17492 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100011216618_100000004467 [0,1,0,1,0,0|2,0,0]=4 17493 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,1,0,1,0,0|2,0,0]=4 17494 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,1,0,1,0,0|2,0,0]=4 17495 B12R1.51 O=C(CNC1CCCC1)NCO 2230a_100000211070_100000185155 [0,1,0,1,0,0|2,0,0]=4 17496 B12R1.51 O=C(CNC1CCCC1)NCO 34a_100000211070_100000185155 [0,1,0,1,0,0|2,0,0]=4 17497 B12R1.51 O=C(COC1CCCC1)NCO 34a_100000210269_100000185155 [0,1,0,1,0,0|2,0,0]=4 17498 B12R1.51 O=C(COC1CCCC1)NCO 7a_100000210269_100000185155 [0,1,0,1,0,0|2,0,0]=4 17499 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100000185155_100000179811 [0,1,0,1,0,0|2,0,0]=4 17500 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100011217020_100000185155 [0,1,0,1,0,0|2,0,0]=4 17501 B12R1.69 CCNCC1CCC(=CC1C)C 269862a_100015525214_100000075207 [0,1,0,1,0,0|2,0,0]=4 17502 B12R1.278 CCCN1CCCC(C1)OCC 2230a_100000745229_100000210303 [0,1,0,1,0,0|1,0,1]=4 17503 B12R1.278 CCCN1CCCC(C1)OCC 269982a_100000745229_100000210303 [0,1,0,1,0,0|1,0,1]=4 17504 B12R1.278 CCCN1CCCC(C1)OCC 34a_100000745229_100000210303 [0,1,0,1,0,0|1,0,1]=4 17505 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,1,0,1,0,0|2,0,0]=4 17506 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,1,0,1,0,0|2,0,0]=4 17507 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,1,0,1,0,0|2,0,0]=4 17508 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_100000182743_200025704644 [0,1,0,1,0,0|2,0,0]=4 17509 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000182743 [0,1,0,1,0,0|2,0,0]=4 17510 B12R1.308 CC=CC(=O)N1CCCCC1C 11a_100000211376_100000210699 [0,1,0,1,0,0|1,0,1]=4 17511 B12R1.308 CC=CC(=O)N1CCCCC1C 1626a_100000211376_100000210699 [0,1,0,1,0,0|1,0,1]=4 17512 B12R1.308 CC=CC(=O)N1CCCCC1C 240690a_100000211376_100000210699 [0,1,0,1,0,0|1,0,1]=4 17513 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,1,0,1,0,0|1,0,1]=4 17514 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,1,0,1,0,0|1,0,0]=3 17515 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,1,0,1,0,0|1,0,0]=3 17516 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 17517 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 17518 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 17519 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,1,0,1,0,0|1,0,0]=3 17520 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211992 [0,1,0,1,0,0|2,0,0]=4 17521 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211992 [0,1,0,1,0,0|2,0,0]=4 17522 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211992 [0,1,0,1,0,0|2,0,0]=4 17523 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [0,1,0,1,0,0|1,0,0]=3 17524 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 17525 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 17526 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,1,0,1,0,0|1,0,0]=3 17527 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,1,0,1,0,0|1,0,0]=3 17528 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,1,0,1,0,0|1,0,0]=3 17529 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 2708a_100015525214_100009815349 [0,1,0,1,0,0|2,0,0]=4 17530 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 273464a_100015525214_100009815349 [0,1,0,1,0,0|2,0,0]=4 17531 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [0,1,0,1,0,0|1,0,0]=3 17532 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [0,1,0,1,0,0|1,0,0]=3 17533 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [0,1,0,1,0,0|1,0,0]=3 17534 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,1,0,1,0,0|0,0,0]=2 17535 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,1,0,1,0,0|0,0,0]=2 17536 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,1,0,1,0,0|0,0,0]=2 17537 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,1,0,1,0,0|0,0,0]=2 17538 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [0,1,0,1,0,0|1,0,0]=3 17539 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [0,1,0,1,0,0|1,0,0]=3 17540 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [0,1,0,1,0,0|1,0,0]=3 17541 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [0,1,0,1,0,0|1,0,0]=3 17542 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [0,1,0,1,0,0|1,0,0]=3 17543 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [0,1,0,1,0,0|1,0,0]=3 17544 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [0,1,0,1,0,0|1,0,0]=3 17545 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [0,1,0,1,0,0|1,0,0]=3 17546 B12R1.308 CN1CCCC[C@@H]1C(=O)CCF 1458a_100000767060_100011217306 [0,1,0,1,0,0|2,0,0]=4 17547 B12R1.308 CN1CCCC[C@@H]1C(=O)CCO 1458a_100000767060_100000211926 [0,1,0,1,0,0|2,0,0]=4 17548 B12R1.308 CNCC(=O)N1CCCCC1C 2230a_106832991635_100000182743 [0,1,0,1,0,0|2,0,0]=4 17549 B12R1.308 CNCC(=O)N1CCCCC1C 34a_100102657272_100000182743 [0,1,0,1,0,0|2,0,0]=4 17550 B12R1.308 CNCC(=O)N1CCCCC1C 7a_106832991635_100000182743 [0,1,0,1,0,0|2,0,0]=4 17551 B12R1.308 CNNC(=O)C1CCCCC1C 22a_100016993582_100011215568 [0,1,0,1,0,0|2,0,0]=4 17552 B12R1.308 CNNC(=O)C1CCCCC1O 22a_100016993582_100011803323 [0,1,0,1,0,0|2,0,0]=4 17553 B12R1.308 CNNC(=O)[C@H]1CCCCN1C 22a_100016993582_100000767060 [0,1,0,1,0,0|2,0,0]=4 17554 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 17555 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 17556 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 17557 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,1,0,1,0,0|2,0,0]=4 17558 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,1,0,1,0,0|2,0,0]=4 17559 B12R1.308 CSCC(=O)N1CCCCC1C 11a_100000211376_100000184570 [0,1,0,1,0,0|2,0,0]=4 17560 B12R1.308 CSCC(=O)N1CCCCC1C 1626a_100000211376_100000184570 [0,1,0,1,0,0|2,0,0]=4 17561 B12R1.308 CSCC(=O)N1CCCCC1C 240690a_100000211376_100000184570 [0,1,0,1,0,0|2,0,0]=4 17562 B12R1.308 CSCC(=O)N1CCCCC1C 527a_100000211376_100000184570 [0,1,0,1,0,0|2,0,0]=4 17563 B12R1.308 CSCC(=O)N1CCCCC1C 62a_100000182743_200000210301 [0,1,0,1,0,0|2,0,0]=4 17564 B12R1.308 CSCC(=O)N1CCCCC1C 62a_200000210301_100000182743 [0,1,0,1,0,0|2,0,0]=4 17565 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,1,0,1,0,0|2,0,0]=4 17566 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,1,0,1,0,0|2,0,0]=4 17567 B12R1.310 C=COC(=O)CNCCC1CC1 34a_100000764129_100000036128 [0,1,0,1,0,0|0,0,2]=4 17568 B12R1.310 C=COC(=O)COCCC1CC1 34a_100000754188_100000036128 [0,1,0,1,0,0|0,0,2]=4 17569 B12R1.310 C=COC(=O)CSCCC1CC1 62a_100000036128_100000764125 [0,1,0,1,0,0|0,0,2]=4 17570 B12R1.310 C=COC(=O)CSCCC1CC1 62a_100000764125_100000036128 [0,1,0,1,0,0|0,0,2]=4 17571 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,1,0,1,0,0|1,0,0]=3 17572 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,1,0,1,0,0|1,0,0]=3 17573 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,1,0,1,0,0|1,0,0]=3 17574 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000732470_100000747444 [0,1,0,1,0,0|2,0,0]=4 17575 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000747444_100000732470 [0,1,0,1,0,0|2,0,0]=4 17576 B12R1.310 CCCC(=O)OCNCC1CC1 2230a_100000735609_100000034017 [0,1,0,1,0,0|2,0,0]=4 17577 B12R1.310 CCCC(=O)OCNCC1CC1 34a_100000735609_100000034017 [0,1,0,1,0,0|2,0,0]=4 17578 B12R1.310 CCCC(=O)OCOCC1CC1 34a_100000211283_100000034017 [0,1,0,1,0,0|2,0,0]=4 17579 B12R1.310 CCCC(=O)OCSCC1CC1 62a_100000756562_100000034017 [0,1,0,1,0,0|2,0,0]=4 17580 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [0,1,0,1,0,0|1,0,0]=3 17581 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [0,1,0,1,0,0|1,0,0]=3 17582 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [0,1,0,1,0,0|1,0,0]=3 17583 B12R1.310 CCNC(=O)CCNCC1CO1 34a_100025743525_102125554688 [0,1,0,1,0,0|2,0,0]=4 17584 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [0,1,0,1,0,0|1,0,0]=3 17585 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [0,1,0,1,0,0|1,0,0]=3 17586 B12R1.310 CCNC(=O)CCSCC1CO1 62a_100000737597_102125554688 [0,1,0,1,0,0|2,0,0]=4 17587 B12R1.310 CCNC(=O)CCSCC1CO1 62a_102125554688_100000737597 [0,1,0,1,0,0|2,0,0]=4 17588 B12R1.310 CCNC(=O)CCSCC1CS1 62a_100000031435_100000737597 [0,1,0,1,0,0|2,0,0]=4 17589 B12R1.310 CCNC(=O)CCSCC1CS1 62a_100000737597_100000031435 [0,1,0,1,0,0|2,0,0]=4 17590 B12R1.310 CCNC(=O)CCSC[C@@H]1CO1 62a_100000737597_100000745022 [0,1,0,1,0,0|2,0,0]=4 17591 B12R1.310 CCNC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000737597 [0,1,0,1,0,0|2,0,0]=4 17592 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [0,1,0,1,0,0|1,0,0]=3 17593 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [0,1,0,1,0,0|1,0,0]=3 17594 B12R1.310 CCNC(=O)CNCCC1CO1 2230a_100016988866_100000732470 [0,1,0,1,0,0|2,0,0]=4 17595 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,1,0,1,0,0|1,0,0]=3 17596 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,1,0,1,0,0|1,0,0]=3 17597 B12R1.310 CCNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183381 [0,1,0,1,0,0|2,0,0]=4 17598 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [0,1,0,1,0,0|1,0,0]=3 17599 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [0,1,0,1,0,0|1,0,0]=3 17600 B12R1.310 CCNC(=O)CSCCC1CO1 62a_100000183381_100000732470 [0,1,0,1,0,0|2,0,0]=4 17601 B12R1.310 CCNC(=O)CSCCC1CO1 62a_100000732470_100000183381 [0,1,0,1,0,0|2,0,0]=4 17602 B12R1.310 CCOC(=O)/C=C/CNC1CC1 34a_100000212008_100016267167 [0,1,0,1,0,0|0,0,2]=4 17603 B12R1.310 CCOC(=O)/C=C/CSC1CC1 62a_100016267167_100000211595 [0,1,0,1,0,0|0,0,2]=4 17604 B12R1.310 CCOC(=O)C=NNCC1CC1 4a_100000736359_100000742314 [0,1,0,1,0,0|1,0,1]=4 17605 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [0,1,0,1,0,0|0,0,0]=2 17606 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [0,1,0,1,0,0|0,0,0]=2 17607 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [0,1,0,1,0,0|0,0,0]=2 17608 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [0,1,0,1,0,0|0,0,0]=2 17609 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [0,1,0,1,0,0|0,0,0]=2 17610 B12R1.310 CCOC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000765890 [0,1,0,1,0,0|1,0,0]=3 17611 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [0,1,0,1,0,0|0,0,0]=2 17612 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [0,1,0,1,0,0|0,0,0]=2 17613 B12R1.310 CCOC(=O)CCSCC1CO1 62a_100000765890_102125554688 [0,1,0,1,0,0|1,0,0]=3 17614 B12R1.310 CCOC(=O)CCSCC1CO1 62a_102125554688_100000765890 [0,1,0,1,0,0|1,0,0]=3 17615 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000031435_100000765890 [0,1,0,1,0,0|1,0,0]=3 17616 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000765890_100000031435 [0,1,0,1,0,0|1,0,0]=3 17617 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000765890 [0,1,0,1,0,0|1,0,0]=3 17618 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000765890_100000745022 [0,1,0,1,0,0|1,0,0]=3 17619 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [0,1,0,1,0,0|0,0,0]=2 17620 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,1,0,1,0,0|0,0,0]=2 17621 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,1,0,1,0,0|0,0,0]=2 17622 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [0,1,0,1,0,0|1,0,0]=3 17623 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [0,1,0,1,0,0|0,0,0]=2 17624 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [0,1,0,1,0,0|0,0,0]=2 17625 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000188475_100000732470 [0,1,0,1,0,0|1,0,0]=3 17626 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000732470_100000188475 [0,1,0,1,0,0|1,0,0]=3 17627 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [0,1,0,1,0,0|1,0,0]=3 17628 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [0,1,0,1,0,0|1,0,0]=3 17629 B12R1.310 CCOC(=O)OCSCC1CO1 62a_102125554688_100000075025 [0,1,0,1,0,0|2,0,0]=4 17630 B12R1.310 CCOC(=O)OCSCC1CS1 62a_100000031435_100000075025 [0,1,0,1,0,0|2,0,0]=4 17631 B12R1.310 CCOC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000075025 [0,1,0,1,0,0|2,0,0]=4 17632 B12R1.310 O=C(CNCCC1CC1)NCO 34a_100000764129_100000185155 [0,1,0,1,0,0|2,0,0]=4 17633 B12R1.310 O=C(COCCC1CC1)NCO 34a_100000754188_100000185155 [0,1,0,1,0,0|2,0,0]=4 17634 B12R1.310 O=C(COCCC1CC1)NCO 7a_100000754188_100000185155 [0,1,0,1,0,0|2,0,0]=4 17635 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000185155_100000764125 [0,1,0,1,0,0|2,0,0]=4 17636 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000764125_100000185155 [0,1,0,1,0,0|2,0,0]=4 17637 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,1,0,1,0,0|1,0,1]=4 17638 B12R1.311 CCCC(=O)OCN1CCC1C 269982a_100000755817_100000034017 [0,1,0,1,0,0|2,0,0]=4 17639 B12R1.311 CCCC(=O)OCN1CCC1C 34a_100000755817_100000034017 [0,1,0,1,0,0|2,0,0]=4 17640 B12R1.311 CCNC(=O)CCN1CCC1C 269982a_100000755817_100000737597 [0,1,0,1,0,0|1,0,0]=3 17641 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [0,1,0,1,0,0|0,0,0]=2 17642 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [0,1,0,1,0,0|0,0,0]=2 17643 B12R1.311 CCOC(=O)CSC1CCC1=O 62a_100000188475_100009892977 [0,1,0,1,0,0|1,0,1]=4 17644 B12R1.311 CCOC(=O)CSC1CCC1=O 62a_100009892977_100000188475 [0,1,0,1,0,0|1,0,1]=4 17645 B12R1.315 C=COC(=O)CNCC1CCC1 2230a_100000738700_100000036128 [0,1,0,1,0,0|0,0,2]=4 17646 B12R1.315 C=COC(=O)CNCC1CCC1 34a_100000738700_100000036128 [0,1,0,1,0,0|0,0,2]=4 17647 B12R1.315 C=COC(=O)COCC1CCC1 34a_100000760304_100000036128 [0,1,0,1,0,0|0,0,2]=4 17648 B12R1.315 C=COC(=O)CSCC1CCC1 62a_100000036128_100000763275 [0,1,0,1,0,0|0,0,2]=4 17649 B12R1.315 C=COC(=O)CSCC1CCC1 62a_100000763275_100000036128 [0,1,0,1,0,0|0,0,2]=4 17650 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,1,0,1,0,0|1,0,0]=3 17651 B12R1.315 CCCC(=O)CNCC1COC1 2230a_100015281925_100000747444 [0,1,0,1,0,0|2,0,0]=4 17652 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747444 [0,1,0,1,0,0|2,0,0]=4 17653 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,1,0,1,0,0|1,0,0]=3 17654 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,1,0,1,0,0|1,0,0]=3 17655 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000103362_100000747444 [0,1,0,1,0,0|2,0,0]=4 17656 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000747444_100000103362 [0,1,0,1,0,0|2,0,0]=4 17657 B12R1.315 CCCC(=O)CSCC1COC1 62a_100000747444_100010264016 [0,1,0,1,0,0|2,0,0]=4 17658 B12R1.315 CCCC(=O)CSCC1COC1 62a_100010264016_100000747444 [0,1,0,1,0,0|2,0,0]=4 17659 B12R1.315 CCCC(=O)NCCN1CCC1 240690a_100000691440_100000211992 [0,1,0,1,0,0|2,0,0]=4 17660 B12R1.315 CCCC(=O)NNCC1CCC1 22a_200020586977_100000211992 [0,1,0,1,0,0|2,0,0]=4 17661 B12R1.315 CCCC(=O)OCNC1CCC1 2230a_100000749019_100000034017 [0,1,0,1,0,0|2,0,0]=4 17662 B12R1.315 CCCC(=O)OCNC1CCC1 34a_100000749019_100000034017 [0,1,0,1,0,0|2,0,0]=4 17663 B12R1.315 CCCC(=O)OCOC1CCC1 34a_100000748187_100000034017 [0,1,0,1,0,0|2,0,0]=4 17664 B12R1.315 CCNC(=O)CCNC1CCC1 2230a_100000749019_100000737597 [0,1,0,1,0,0|1,0,0]=3 17665 B12R1.315 CCNC(=O)CCNC1CCC1 270004a_100025743525_100000241760 [0,1,0,1,0,0|1,0,0]=3 17666 B12R1.315 CCNC(=O)CCNC1CCC1 34a_100025743525_100000749161 [0,1,0,1,0,0|1,0,0]=3 17667 B12R1.315 CCNC(=O)CCNC1COC1 2230a_100016991112_100000737597 [0,1,0,1,0,0|2,0,0]=4 17668 B12R1.315 CCNC(=O)CCNC1COC1 34a_100025743525_100009818527 [0,1,0,1,0,0|2,0,0]=4 17669 B12R1.315 CCNC(=O)CCOC1CSC1 7a_100000072292_100000737597 [0,1,0,1,0,0|2,0,0]=4 17670 B12R1.315 CCNC(=O)CCSC1CCC1 62a_100000737597_100000749161 [0,1,0,1,0,0|1,0,0]=3 17671 B12R1.315 CCNC(=O)CCSC1COC1 62a_100000737597_100009818527 [0,1,0,1,0,0|2,0,0]=4 17672 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [0,1,0,1,0,0|1,0,0]=3 17673 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [0,1,0,1,0,0|1,0,0]=3 17674 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [0,1,0,1,0,0|1,0,0]=3 17675 B12R1.315 CCNC(=O)CNCC1CCO1 2230a_100016988866_100000103362 [0,1,0,1,0,0|2,0,0]=4 17676 B12R1.315 CCNC(=O)CNCC1COC1 2230a_100015281925_100000183381 [0,1,0,1,0,0|2,0,0]=4 17677 B12R1.315 CCNC(=O)CNCC1COC1 2230a_100016988866_100010264016 [0,1,0,1,0,0|2,0,0]=4 17678 B12R1.315 CCNC(=O)CNCC1COC1 34a_100015281925_100000183381 [0,1,0,1,0,0|2,0,0]=4 17679 B12R1.315 CCNC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000183381 [0,1,0,1,0,0|2,0,0]=4 17680 B12R1.315 CCNC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000183381 [0,1,0,1,0,0|2,0,0]=4 17681 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [0,1,0,1,0,0|1,0,0]=3 17682 B12R1.315 CCNC(=O)COCC1CCO1 34a_100000039022_100000183381 [0,1,0,1,0,0|2,0,0]=4 17683 B12R1.315 CCNC(=O)COCC1CNC1 34a_100016987283_100000183381 [0,1,0,1,0,0|2,0,0]=4 17684 B12R1.315 CCNC(=O)COCC1COC1 34a_100000060846_100000183381 [0,1,0,1,0,0|2,0,0]=4 17685 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [0,1,0,1,0,0|1,0,0]=3 17686 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [0,1,0,1,0,0|1,0,0]=3 17687 B12R1.315 CCNC(=O)CSCC1CCO1 62a_100000103362_100000183381 [0,1,0,1,0,0|2,0,0]=4 17688 B12R1.315 CCNC(=O)CSCC1CCO1 62a_100000183381_100000103362 [0,1,0,1,0,0|2,0,0]=4 17689 B12R1.315 CCNC(=O)CSCC1COC1 62a_100000183381_100010264016 [0,1,0,1,0,0|2,0,0]=4 17690 B12R1.315 CCNC(=O)CSCC1COC1 62a_100010264016_100000183381 [0,1,0,1,0,0|2,0,0]=4 17691 B12R1.315 CCNC(=O)NCCN1CCC1 2708a_100000691440_100015525214 [0,1,0,1,0,0|2,0,0]=4 17692 B12R1.315 CCNC(=O)NCCN1CCC1 2708a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 17693 B12R1.315 CCNC(=O)NCCN1CCC1 273464a_100000691440_100015525214 [0,1,0,1,0,0|2,0,0]=4 17694 B12R1.315 CCNC(=O)NCCN1CCC1 273464a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 17695 B12R1.315 CCNC(=O)NCCN1CCC1 512a_100015525214_100000691440 [0,1,0,1,0,0|2,0,0]=4 17696 B12R1.315 CCNC(=O)NNCC1CCC1 273464a_100015525214_200020586977 [0,1,0,1,0,0|2,0,0]=4 17697 B12R1.315 CCNC(=O)NNCC1CCC1 512a_100015525214_200020586977 [0,1,0,1,0,0|2,0,0]=4 17698 B12R1.315 CCNC(=O)NNCC1CCC1 512a_200020586977_100015525214 [0,1,0,1,0,0|2,0,0]=4 17699 B12R1.315 CCOC(=O)/C=C/CN1CCC1 269982a_100000754969_100016267167 [0,1,0,1,0,0|0,0,2]=4 17700 B12R1.315 CCOC(=O)C=NNC1CCC1 4a_100000736358_100000742314 [0,1,0,1,0,0|1,0,1]=4 17701 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [0,1,0,1,0,0|0,0,0]=2 17702 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [0,1,0,1,0,0|0,0,0]=2 17703 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [0,1,0,1,0,0|0,0,0]=2 17704 B12R1.315 CCOC(=O)CCNC1COC1 2230a_100016991112_100011206558 [0,1,0,1,0,0|1,0,0]=3 17705 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [0,1,0,1,0,0|0,0,0]=2 17706 B12R1.315 CCOC(=O)CCOC1CSC1 7a_100000072292_100011206558 [0,1,0,1,0,0|1,0,0]=3 17707 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [0,1,0,1,0,0|0,0,0]=2 17708 B12R1.315 CCOC(=O)CCSC1COC1 62a_100000765890_100009818527 [0,1,0,1,0,0|1,0,0]=3 17709 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [0,1,0,1,0,0|0,0,0]=2 17710 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [0,1,0,1,0,0|0,0,0]=2 17711 B12R1.315 CCOC(=O)CNCC1COC1 2230a_100015281925_100000188475 [0,1,0,1,0,0|1,0,0]=3 17712 B12R1.315 CCOC(=O)CNCC1COC1 34a_100015281925_100000188475 [0,1,0,1,0,0|1,0,0]=3 17713 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000188475 [0,1,0,1,0,0|1,0,0]=3 17714 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000188475 [0,1,0,1,0,0|1,0,0]=3 17715 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [0,1,0,1,0,0|0,0,0]=2 17716 B12R1.315 CCOC(=O)COCC1CCO1 34a_100000039022_100000188475 [0,1,0,1,0,0|1,0,0]=3 17717 B12R1.315 CCOC(=O)COCC1CNC1 34a_100016987283_100000188475 [0,1,0,1,0,0|1,0,0]=3 17718 B12R1.315 CCOC(=O)COCC1COC1 34a_100000060846_100000188475 [0,1,0,1,0,0|1,0,0]=3 17719 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [0,1,0,1,0,0|0,0,0]=2 17720 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [0,1,0,1,0,0|0,0,0]=2 17721 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000103362_100000188475 [0,1,0,1,0,0|1,0,0]=3 17722 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000188475_100000103362 [0,1,0,1,0,0|1,0,0]=3 17723 B12R1.315 CCOC(=O)CSCC1COC1 62a_100000188475_100010264016 [0,1,0,1,0,0|1,0,0]=3 17724 B12R1.315 CCOC(=O)CSCC1COC1 62a_100010264016_100000188475 [0,1,0,1,0,0|1,0,0]=3 17725 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [0,1,0,1,0,0|1,0,0]=3 17726 B12R1.315 O=C(CNCC1CCC1)NCO 2230a_100000738700_100000185155 [0,1,0,1,0,0|2,0,0]=4 17727 B12R1.315 O=C(CNCC1CCC1)NCO 34a_100000738700_100000185155 [0,1,0,1,0,0|2,0,0]=4 17728 B12R1.315 O=C(COCC1CCC1)NCO 34a_100000760304_100000185155 [0,1,0,1,0,0|2,0,0]=4 17729 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000185155_100000763275 [0,1,0,1,0,0|2,0,0]=4 17730 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000763275_100000185155 [0,1,0,1,0,0|2,0,0]=4 17731 B12R1.316 CC=CC(=O)N1CCCC1CC 11a_100000754278_100000210699 [0,1,0,1,0,0|1,0,1]=4 17732 B12R1.316 CC=CC(=O)N1CCCC1CC 1626a_100000754278_100000210699 [0,1,0,1,0,0|1,0,1]=4 17733 B12R1.316 CC=CC(=O)N1CCCC1CC 240690a_100000754278_100000210699 [0,1,0,1,0,0|1,0,1]=4 17734 B12R1.316 CCC1CCCN1C(=O)CCO 240690a_100000754278_100011216618 [0,1,0,1,0,0|2,0,0]=4 17735 B12R1.316 CCC1CCCN1C(=O)COC 11a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 17736 B12R1.316 CCC1CCCN1C(=O)COC 1626a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 17737 B12R1.316 CCC1CCCN1C(=O)COC 240690a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 17738 B12R1.316 CCC1CCCN1C(=O)COC 527a_100000754278_100000210968 [0,1,0,1,0,0|2,0,0]=4 17739 B12R1.316 CCC1CCCN1C(=O)CSC 11a_100000754278_100000184570 [0,1,0,1,0,0|2,0,0]=4 17740 B12R1.316 CCC1CCCN1C(=O)CSC 1626a_100000754278_100000184570 [0,1,0,1,0,0|2,0,0]=4 17741 B12R1.316 CCC1CCCN1C(=O)CSC 240690a_100000754278_100000184570 [0,1,0,1,0,0|2,0,0]=4 17742 B12R1.316 CCC1CCCN1C(=O)CSC 527a_100000754278_100000184570 [0,1,0,1,0,0|2,0,0]=4 17743 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [0,1,0,1,0,0|1,0,0]=3 17744 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 17745 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 17746 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 17747 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [0,1,0,1,0,0|1,0,0]=3 17748 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000211992 [0,1,0,1,0,0|2,0,0]=4 17749 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000211992 [0,1,0,1,0,0|2,0,0]=4 17750 B12R1.316 CCN1CCCC1C(=O)CCF 1458a_106256033941_100011217306 [0,1,0,1,0,0|2,0,0]=4 17751 B12R1.316 CCN1CCCC1C(=O)CCO 1458a_106256033941_100000211926 [0,1,0,1,0,0|2,0,0]=4 17752 B12R1.316 CCN1CCCC1C(=O)NNC 22a_100016993582_106256033941 [0,1,0,1,0,0|2,0,0]=4 17753 B12R1.316 CCNC(=O)C1CCCN1CC 240690a_100015525214_106256033941 [0,1,0,1,0,0|1,0,0]=3 17754 B12R1.316 CCNC(=O)C1CCCN1CC 527a_100015525214_106256033941 [0,1,0,1,0,0|1,0,0]=3 17755 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [0,1,0,1,0,0|1,0,0]=3 17756 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [0,1,0,1,0,0|1,0,0]=3 17757 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 2708a_100015525214_100000745186 [0,1,0,1,0,0|2,0,0]=4 17758 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 273464a_100015525214_100000745186 [0,1,0,1,0,0|2,0,0]=4 17759 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 2230a_100020641767_100000210202 [0,1,0,1,0,0|1,0,0]=3 17760 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 269982a_100020641767_100000204670 [0,1,0,1,0,0|1,0,0]=3 17761 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 34a_100020641767_100000210202 [0,1,0,1,0,0|1,0,0]=3 17762 B12R1.316 CCNC(=O)[C@@H]1CCCN1CF 269982a_100020641767_100015361967 [0,1,0,1,0,0|2,0,0]=4 17763 B12R1.316 CCNC(=O)[C@@H]1CCCN1CF 34a_100020641767_100015361967 [0,1,0,1,0,0|2,0,0]=4 17764 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [0,1,0,1,0,0|0,0,0]=2 17765 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [0,1,0,1,0,0|0,0,0]=2 17766 B12R1.316 CCOC(=O)[C@@H]1CCCN1CF 269982a_100000703725_100015361967 [0,1,0,1,0,0|1,0,0]=3 17767 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [0,1,0,1,0,0|0,0,0]=2 17768 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [0,1,0,1,0,0|0,0,0]=2 17769 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC 269982a_100016989239_100000204670 [0,1,0,1,0,0|1,0,0]=3 17770 B12R1.316 CCOC(=O)[C@@H]1CSCN1CF 269982a_100016989239_100015361967 [0,1,0,1,0,0|2,0,0]=4 17771 B12R1.318 C=COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000036128 [0,1,0,1,0,0|0,0,2]=4 17772 B12R1.318 C=COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000036128 [0,1,0,1,0,0|0,0,2]=4 17773 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000036128 [0,1,0,1,0,0|0,0,2]=4 17774 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000036128 [0,1,0,1,0,0|0,0,2]=4 17775 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000036128 [0,1,0,1,0,0|0,0,2]=4 17776 B12R1.318 CC(CCBr)OC1CCOC1=O 34a_100012276601_100000211211 [0,1,0,1,0,0|2,0,0]=4 17777 B12R1.318 CC(CCO)SC1CCOC1=O 62a_100000211211_100009893172 [0,1,0,1,0,0|2,0,0]=4 17778 B12R1.318 CC(CCO)SC1CCOC1=O 62a_100009893172_100000211211 [0,1,0,1,0,0|2,0,0]=4 17779 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [0,1,0,1,0,0|1,0,0]=3 17780 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [0,1,0,1,0,0|1,0,0]=3 17781 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [0,1,0,1,0,0|1,0,0]=3 17782 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [0,1,0,1,0,0|1,0,0]=3 17783 B12R1.318 CCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210303 [0,1,0,1,0,0|1,0,1]=4 17784 B12R1.318 CCCC(=O)CN1CCSC1C 2230a_200011216479_100000747444 [0,1,0,1,0,0|2,0,0]=4 17785 B12R1.318 CCCC(=O)CN1CCSC1C 269982a_200011216479_100000747444 [0,1,0,1,0,0|2,0,0]=4 17786 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000211992 [0,1,0,1,0,0|2,0,0]=4 17787 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000211992 [0,1,0,1,0,0|2,0,0]=4 17788 B12R1.318 CCCC(C)NC1CCCC1=O 2230a_100000741246_100000211823 [0,1,0,1,0,0|2,0,0]=4 17789 B12R1.318 CCCC(C)NC1CCNC1=O 2230a_100016995588_100000766640 [0,1,0,1,0,0|2,0,0]=4 17790 B12R1.318 CCCC(C)NC1CCNC1=O 270004a_100016995588_100000211909 [0,1,0,1,0,0|2,0,0]=4 17791 B12R1.318 CCCC(C)NC1CCNC1=O 34a_100016995588_100000766640 [0,1,0,1,0,0|2,0,0]=4 17792 B12R1.318 CCCC(C)NC1CCOC1=O 2230a_100000741246_100000211211 [0,1,0,1,0,0|1,0,0]=3 17793 B12R1.318 CCCC(C)OC1CCCC1=O 34a_100000764384_100000709159 [0,1,0,1,0,0|2,0,0]=4 17794 B12R1.318 CCCC(C)OC1CCCC1=O 34a_200000719330_100000766640 [0,1,0,1,0,0|2,0,0]=4 17795 B12R1.318 CCCC(C)OC1CCCC1=O 7a_100000764384_100000211823 [0,1,0,1,0,0|2,0,0]=4 17796 B12R1.318 CCCC(C)OC1CCOC1=O 34a_100000764384_100000211211 [0,1,0,1,0,0|1,0,0]=3 17797 B12R1.318 CCCC(C)OC1CCOC1=O 7a_100000764384_100000211211 [0,1,0,1,0,0|1,0,0]=3 17798 B12R1.318 CCCC(C)O[C@H]1CCNC1=O 34a_100000688343_100000766640 [0,1,0,1,0,0|2,0,0]=4 17799 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000211823_100000766640 [0,1,0,1,0,0|2,0,0]=4 17800 B12R1.318 CCCC(C)SC1CCCC1=O 62a_100000766640_100000211823 [0,1,0,1,0,0|2,0,0]=4 17801 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000211211_100000766640 [0,1,0,1,0,0|1,0,0]=3 17802 B12R1.318 CCCC(C)SC1CCOC1=O 62a_100000766640_100000211211 [0,1,0,1,0,0|1,0,0]=3 17803 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [0,1,0,1,0,0|1,0,0]=3 17804 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [0,1,0,1,0,0|1,0,0]=3 17805 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [0,1,0,1,0,0|1,0,0]=3 17806 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [0,1,0,1,0,0|1,0,0]=3 17807 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [0,1,0,1,0,0|1,0,0]=3 17808 B12R1.318 CCNC(=O)CN1CCSC1C 2230a_200011216479_100000183381 [0,1,0,1,0,0|2,0,0]=4 17809 B12R1.318 CCNC(=O)CN1CCSC1C 269982a_200011216479_100000183381 [0,1,0,1,0,0|2,0,0]=4 17810 B12R1.318 CCNC(=O)CN1CCSC1C 34a_200011216479_100000183381 [0,1,0,1,0,0|2,0,0]=4 17811 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100015525214_100000748460 [0,1,0,1,0,0|2,0,0]=4 17812 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100015525214 [0,1,0,1,0,0|2,0,0]=4 17813 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100015525214_100000748460 [0,1,0,1,0,0|2,0,0]=4 17814 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,1,0,1,0,0|0,0,0]=2 17815 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,1,0,1,0,0|0,0,0]=2 17816 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,1,0,1,0,0|0,0,0]=2 17817 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,1,0,1,0,0|0,0,0]=2 17818 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,1,0,1,0,0|0,0,0]=2 17819 B12R1.318 CCOC(=O)CN1CCSC1C 2230a_200011216479_100000188475 [0,1,0,1,0,0|1,0,0]=3 17820 B12R1.318 CCOC(=O)CN1CCSC1C 269982a_200011216479_100000188475 [0,1,0,1,0,0|1,0,0]=3 17821 B12R1.318 CCOC(=O)CN1CCSC1C 34a_200011216479_100000188475 [0,1,0,1,0,0|1,0,0]=3 17822 B12R1.318 COCC(C)SC1CCOC1=O 62a_100000211211_100000765312 [0,1,0,1,0,0|2,0,0]=4 17823 B12R1.318 COCC(C)SC1CCOC1=O 62a_100000765312_100000211211 [0,1,0,1,0,0|2,0,0]=4 17824 B12R1.318 COC[C@@H](C)NC1CCOC1=O 2230a_100000764878_100000211211 [0,1,0,1,0,0|2,0,0]=4 17825 B12R1.318 COC[C@@H](C)OC1CCOC1=O 34a_100011934205_100000211211 [0,1,0,1,0,0|2,0,0]=4 17826 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 2230a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 17827 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 269982a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 17828 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 34a_100015189458_100000185155 [0,1,0,1,0,0|2,0,0]=4 17829 B12R1.318 C[C@H](CCO)NC1CCOC1=O 2230a_100000706166_100000211211 [0,1,0,1,0,0|2,0,0]=4 17830 B12R1.318 C[C@H](CCO)NC1CCOC1=O 34a_100000706166_100000211211 [0,1,0,1,0,0|2,0,0]=4 17831 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 2230a_100020605311_100000185155 [0,1,0,1,0,0|2,0,0]=4 17832 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 269982a_100020605311_100000185155 [0,1,0,1,0,0|2,0,0]=4 17833 B12R1.340 CCCC1CCC(=NNCC)C1 4a_100000756455_200012087856 [0,1,0,1,0,0|2,0,0]=4 17834 B12R1.340 CCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210211 [0,1,0,1,0,0|1,0,1]=4 17835 B12R1.340 CCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210211 [0,1,0,1,0,0|1,0,1]=4 17836 B12R1.340 CCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210210 [0,1,0,1,0,0|1,0,1]=4 17837 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,1,0,1,0,0|1,0,0]=3 17838 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,1,0,1,0,0|1,0,0]=3 17839 B12R1.348 CCOCN1CCNC(=O)CC1 269982a_100000698595_100000739092 [0,1,0,1,0,0|2,0,0]=4 17840 B12R1.348 COCCN1CCNC(=O)CC1 2230a_100000698595_100011201679 [0,1,0,1,0,0|2,0,0]=4 17841 B12R1.348 COCCN1CCNC(=O)CC1 269982a_100000698595_100000233755 [0,1,0,1,0,0|2,0,0]=4 17842 B12R1.348 CSCCN1CCNC(=O)CC1 2230a_100000698595_100000751147 [0,1,0,1,0,0|2,0,0]=4 17843 B12R1.348 CSCCN1CCNC(=O)CC1 269982a_100000698595_100000212216 [0,1,0,1,0,0|2,0,0]=4 17844 B12R1.348 O=C1CCN(CCN1)CCCF 2230a_100000698595_100011934791 [0,1,0,1,0,0|2,0,0]=4 17845 B12R1.348 O=C1CCN(CCN1)CCCF 269982a_100000698595_100011934791 [0,1,0,1,0,0|2,0,0]=4 17846 B12R1.348 O=C1CCN(CCN1)CCCO 2230a_100000698595_100000230001 [0,1,0,1,0,0|2,0,0]=4 17847 B12R1.348 O=C1CCN(CCN1)CCCO 269982a_100000698595_100011215043 [0,1,0,1,0,0|2,0,0]=4 17848 B12R1.372 C#CCCCNC1CCOC1=O 34a_100000718082_100000211211 [0,1,0,1,0,0|0,0,2]=4 17849 B12R1.372 C#CCCCOC1CCOC1=O 34a_100000215630_100000211211 [0,1,0,1,0,0|0,0,2]=4 17850 B12R1.372 C#CCCCOC1CCOC1=O 7a_100000215630_100000211211 [0,1,0,1,0,0|0,0,2]=4 17851 B12R1.372 C#CCCCSC1CCOC1=O 62a_100000211211_100011215417 [0,1,0,1,0,0|0,0,2]=4 17852 B12R1.372 C#CCCCSC1CCOC1=O 62a_100011215417_100000211211 [0,1,0,1,0,0|0,0,2]=4 17853 B12R1.372 C/C=C/CCOC1CCOC1=O 34a_100016278192_100000211211 [0,1,0,1,0,0|0,0,2]=4 17854 B12R1.372 C=CCCCNC1CCOC1=O 2230a_100000700776_100000211211 [0,1,0,1,0,0|0,0,2]=4 17855 B12R1.372 C=CCCCNC1CCOC1=O 34a_100000700776_100000211211 [0,1,0,1,0,0|0,0,2]=4 17856 B12R1.372 C=CCCCOC1CCOC1=O 34a_100000758997_100000211211 [0,1,0,1,0,0|0,0,2]=4 17857 B12R1.372 C=CCCCOC1CCOC1=O 7a_100000758997_100000211211 [0,1,0,1,0,0|0,0,2]=4 17858 B12R1.372 C=CCCCSC1CCOC1=O 62a_100000211211_100000757094 [0,1,0,1,0,0|0,0,2]=4 17859 B12R1.372 C=CCCCSC1CCOC1=O 62a_100011713584_100000211211 [0,1,0,1,0,0|0,0,2]=4 17860 B12R1.372 CC#CCCOC1CCOC1=O 34a_100000750427_100000211211 [0,1,0,1,0,0|0,0,2]=4 17861 B12R1.372 CC/C=C\COC1CCOC1=O 34a_100016268518_100000211211 [0,1,0,1,0,0|0,0,2]=4 17862 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100000211211_100103147603 [0,1,0,1,0,0|0,0,2]=4 17863 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100103147603_100000211211 [0,1,0,1,0,0|0,0,2]=4 17864 B12R1.372 CCC#CCOC1CCOC1=O 34a_100000032950_100000211211 [0,1,0,1,0,0|0,0,2]=4 17865 B12R1.372 CCC#CCSC1CCOC1=O 62a_100000211211_100009813939 [0,1,0,1,0,0|0,0,2]=4 17866 B12R1.372 CCC#CCSC1CCOC1=O 62a_100009813939_100000211211 [0,1,0,1,0,0|0,0,2]=4 17867 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,1,0,1,0,0|1,0,0]=3 17868 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,1,0,1,0,0|1,0,0]=3 17869 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,1,0,1,0,0|1,0,0]=3 17870 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,1,0,1,0,0|0,0,0]=2 17871 B12R1.372 CCCCCNC1CCOC1C 270004a_100000209983_100000691750 [0,1,0,1,0,0|1,0,1]=4 17872 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,1,0,1,0,0|2,0,0]=4 17873 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,1,0,1,0,0|2,0,0]=4 17874 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,1,0,1,0,0|1,0,0]=3 17875 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,1,0,1,0,0|1,0,0]=3 17876 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,1,0,1,0,0|1,0,0]=3 17877 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,1,0,1,0,0|0,0,0]=2 17878 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,1,0,1,0,0|0,0,0]=2 17879 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,1,0,1,0,0|1,0,0]=3 17880 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,1,0,1,0,0|1,0,0]=3 17881 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,1,0,1,0,0|1,0,0]=3 17882 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,1,0,1,0,0|0,0,0]=2 17883 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,1,0,1,0,0|0,0,0]=2 17884 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [0,1,0,1,0,0|2,0,0]=4 17885 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,1,0,1,0,0|1,0,0]=3 17886 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [0,1,0,1,0,0|2,0,0]=4 17887 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [0,1,0,1,0,0|2,0,0]=4 17888 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,1,0,1,0,0|2,0,0]=4 17889 B12R1.372 CCCNCCN1CCNC1=O 2230a_100011207550_100000210303 [0,1,0,1,0,0|2,0,0]=4 17890 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,1,0,1,0,0|2,0,0]=4 17891 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,1,0,1,0,0|2,0,0]=4 17892 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,1,0,1,0,0|2,0,0]=4 17893 B12R1.372 CCCOCCN1CCNC1=O 34a_100000216532_100000210303 [0,1,0,1,0,0|2,0,0]=4 17894 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,1,0,1,0,0|2,0,0]=4 17895 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,1,0,1,0,0|2,0,0]=4 17896 B12R1.372 CCCSCCN1CCNC1=O 62a_100000090651_100000210303 [0,1,0,1,0,0|2,0,0]=4 17897 B12R1.372 CCCSCCN1CCNC1=O 62a_100000210303_100000090651 [0,1,0,1,0,0|2,0,0]=4 17898 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,1,0,1,0,0|2,0,0]=4 17899 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,1,0,1,0,0|2,0,0]=4 17900 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,1,0,1,0,0|2,0,0]=4 17901 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,1,0,1,0,0|2,0,0]=4 17902 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [0,1,0,1,0,0|2,0,0]=4 17903 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [0,1,0,1,0,0|2,0,0]=4 17904 B12R1.372 CCOCCNC1CCNC1=O 2230a_100016995588_100011215890 [0,1,0,1,0,0|2,0,0]=4 17905 B12R1.372 CCOCCNC1CCNC1=O 34a_100016995588_100000210147 [0,1,0,1,0,0|2,0,0]=4 17906 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,1,0,1,0,0|1,0,0]=3 17907 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,1,0,1,0,0|1,0,0]=3 17908 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,1,0,1,0,0|2,0,0]=4 17909 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,1,0,1,0,0|2,0,0]=4 17910 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,1,0,1,0,0|2,0,0]=4 17911 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,1,0,1,0,0|1,0,0]=3 17912 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,1,0,1,0,0|1,0,0]=3 17913 B12R1.372 CCOCCO[C@H]1CCNC1=O 34a_100000688343_100000210147 [0,1,0,1,0,0|2,0,0]=4 17914 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [0,1,0,1,0,0|2,0,0]=4 17915 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [0,1,0,1,0,0|2,0,0]=4 17916 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,1,0,1,0,0|1,0,0]=3 17917 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,1,0,1,0,0|1,0,0]=3 17918 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [0,1,0,1,0,0|2,0,0]=4 17919 B12R1.372 CCSCCNC1CCNC1=O 2230a_100016995588_100000757381 [0,1,0,1,0,0|2,0,0]=4 17920 B12R1.372 CCSCCNC1CCNC1=O 34a_100016995588_100000757381 [0,1,0,1,0,0|2,0,0]=4 17921 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,1,0,1,0,0|1,0,0]=3 17922 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,1,0,1,0,0|2,0,0]=4 17923 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,1,0,1,0,0|2,0,0]=4 17924 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,1,0,1,0,0|2,0,0]=4 17925 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,1,0,1,0,0|1,0,0]=3 17926 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,1,0,1,0,0|1,0,0]=3 17927 B12R1.372 CCSCCO[C@H]1CCNC1=O 34a_100000688343_100000757381 [0,1,0,1,0,0|2,0,0]=4 17928 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [0,1,0,1,0,0|2,0,0]=4 17929 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [0,1,0,1,0,0|2,0,0]=4 17930 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,1,0,1,0,0|1,0,0]=3 17931 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,1,0,1,0,0|1,0,0]=3 17932 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,1,0,1,0,0|2,0,0]=4 17933 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,1,0,1,0,0|1,0,0]=3 17934 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,1,0,1,0,0|2,0,0]=4 17935 B12R1.372 COCCCNC1CCNC1=O 2230a_100016995588_100000740836 [0,1,0,1,0,0|2,0,0]=4 17936 B12R1.372 COCCCNC1CCNC1=O 34a_100016995588_100000740836 [0,1,0,1,0,0|2,0,0]=4 17937 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [0,1,0,1,0,0|1,0,0]=3 17938 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,1,0,1,0,0|2,0,0]=4 17939 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,1,0,1,0,0|2,0,0]=4 17940 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,1,0,1,0,0|1,0,0]=3 17941 B12R1.372 COCCCO[C@H]1CCNC1=O 34a_100000688343_100000740836 [0,1,0,1,0,0|2,0,0]=4 17942 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,1,0,1,0,0|2,0,0]=4 17943 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,1,0,1,0,0|2,0,0]=4 17944 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [0,1,0,1,0,0|1,0,0]=3 17945 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [0,1,0,1,0,0|1,0,0]=3 17946 B12R1.372 COCCOCC1CCNC1=O 34a_100000133458_100011201679 [0,1,0,1,0,0|2,0,0]=4 17947 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,1,0,1,0,0|2,0,0]=4 17948 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [0,1,0,1,0,0|1,0,0]=3 17949 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,1,0,1,0,0|2,0,0]=4 17950 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,1,0,1,0,0|2,0,0]=4 17951 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,1,0,1,0,0|1,0,0]=3 17952 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,1,0,1,0,0|1,0,0]=3 17953 B12R1.372 CSCCOCC1CCNC1=O 34a_100000133458_100000212216 [0,1,0,1,0,0|2,0,0]=4 17954 B12R1.372 N#CCCCSC1CCOC1=O 62a_100000211211_100000687738 [0,1,0,1,0,0|1,0,1]=4 17955 B12R1.372 N#CCCCSC1CCOC1=O 62a_100000687738_100000211211 [0,1,0,1,0,0|1,0,1]=4 17956 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,1,0,1,0,0|2,0,0]=4 17957 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,1,0,1,0,0|1,0,0]=3 17958 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,1,0,1,0,0|2,0,0]=4 17959 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,1,0,1,0,0|2,0,0]=4 17960 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,1,0,1,0,0|2,0,0]=4 17961 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,1,0,1,0,0|2,0,0]=4 17962 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,1,0,1,0,0|2,0,0]=4 17963 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,1,0,1,0,0|2,0,0]=4 17964 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,1,0,1,0,0|2,0,0]=4 17965 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,1,0,1,0,0|2,0,0]=4 17966 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,1,0,1,0,0|2,0,0]=4 17967 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,1,0,1,0,0|2,0,0]=4 17968 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [0,1,0,1,0,0|2,0,0]=4 17969 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [0,1,0,1,0,0|2,0,0]=4 17970 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [0,1,0,1,0,0|2,0,0]=4 17971 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [0,1,0,1,0,0|2,0,0]=4 17972 B12R1.372 O=C1NCCC1COCCCF 34a_100000133458_100011934791 [0,1,0,1,0,0|2,0,0]=4 17973 B12R1.372 O=C1NCCC1COCCCO 34a_100000133458_100000230001 [0,1,0,1,0,0|2,0,0]=4 17974 B12R1.372 O=C1NCCC1NCCCCF 2230a_100016995588_100000729493 [0,1,0,1,0,0|2,0,0]=4 17975 B12R1.372 O=C1NCCC1NCCCCF 34a_100016995588_100000729493 [0,1,0,1,0,0|2,0,0]=4 17976 B12R1.372 O=C1NCCC1NCCCCO 2230a_100016995588_100000210776 [0,1,0,1,0,0|2,0,0]=4 17977 B12R1.372 O=C1NCCC1NCCCCO 34a_100016995588_100011216708 [0,1,0,1,0,0|2,0,0]=4 17978 B12R1.372 O=C1NCC[C@@H]1OCCCCF 34a_100000688343_100000729493 [0,1,0,1,0,0|2,0,0]=4 17979 B12R1.372 O=C1NCC[C@@H]1OCCCCO 34a_100000688343_100011216708 [0,1,0,1,0,0|2,0,0]=4 17980 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [0,1,0,1,0,0|1,0,0]=3 17981 B12R1.372 O=C1OCCC1NCCCCO 34a_100000750430_100000211211 [0,1,0,1,0,0|1,0,0]=3 17982 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [0,1,0,1,0,0|1,0,0]=3 17983 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [0,1,0,1,0,0|1,0,0]=3 17984 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [0,1,0,1,0,0|1,0,0]=3 17985 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [0,1,0,1,0,0|1,0,0]=3 17986 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [0,1,0,1,0,0|1,0,0]=3 17987 B12R1.372 O=C1OCCC1OCCCCI 34a_200012148704_100000211211 [0,1,0,1,0,0|1,0,0]=3 17988 B12R1.372 O=C1OCCC1SCCCCF 62a_100000211211_100000729493 [0,1,0,1,0,0|1,0,0]=3 17989 B12R1.372 O=C1OCCC1SCCCCF 62a_100000729493_100000211211 [0,1,0,1,0,0|1,0,0]=3 17990 B12R1.372 O=C1OCCC1SCCCCO 62a_100000210776_100000211211 [0,1,0,1,0,0|1,0,0]=3 17991 B12R1.372 O=C1OCCC1SCCCCO 62a_100000211211_100000210776 [0,1,0,1,0,0|1,0,0]=3 17992 B12R1.372 O=CCCCSC1CCOC1=O 62a_100000211211_200011292268 [0,1,0,1,0,0|1,0,1]=4 17993 B12R1.372 O=CCCCSC1CCOC1=O 62a_200011292268_100000211211 [0,1,0,1,0,0|1,0,1]=4 17994 B12R1.535 CCCC(=O)N1CCC1COC 11a_100015195929_100000211992 [0,1,0,1,0,0|2,0,0]=4 17995 B12R1.535 CCCC(=O)N1CCC1COC 1626a_100015195929_100000211992 [0,1,0,1,0,0|2,0,0]=4 17996 B12R1.535 CCCC(=O)N1CCC1COC 240690a_100015195929_100000211992 [0,1,0,1,0,0|2,0,0]=4 17997 B12R1.535 CCCC(=O)N1CCC1COC 527a_100015195929_100000211992 [0,1,0,1,0,0|2,0,0]=4 17998 B12R1.535 CCNC(=O)N1CCC1COC 2708a_100015525214_100015195929 [0,1,0,1,0,0|2,0,0]=4 17999 B12R1.535 CCNC(=O)N1CCC1COC 273464a_100015525214_100015195929 [0,1,0,1,0,0|2,0,0]=4 18000 B12R1.542 CCCN1CCNC(=O)C1CC 2230a_100000187962_100000210303 [0,1,0,1,0,0|2,0,0]=4 18001 B12R1.542 CCCN1CCNC(=O)C1CC 269982a_100000187962_100000210303 [0,1,0,1,0,0|2,0,0]=4 18002 B12R1.542 CCCN1CCNC(=O)C1CC 34a_100000187962_100000210303 [0,1,0,1,0,0|2,0,0]=4 18003 B12R1.923 C#CCCCCCC(=O)C1CC1 1458a_100000210395_100012094781 [0,1,0,1,0,0|1,0,1]=4 18004 B12R1.923 C=CCCCCCC(=O)C1CC1 1458a_100000210395_100000700193 [0,1,0,1,0,0|1,0,1]=4 18005 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,1,0,1,0,0|1,0,0]=3 18006 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,1,0,1,0,0|2,0,0]=4 18007 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 18008 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 18009 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 18010 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [0,1,0,1,0,0|1,0,0]=3 18011 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 18012 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 18013 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 18014 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,1,0,1,0,0|2,0,0]=4 18015 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [0,1,0,1,0,0|1,0,0]=3 18016 B12R1.923 CCCCCNNC(=O)C1CC1 22a_100000694160_100000210395 [0,1,0,1,0,0|2,0,0]=4 18017 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [0,1,0,1,0,0|1,0,0]=3 18018 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [0,1,0,1,0,0|1,0,0]=3 18019 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [0,1,0,1,0,0|1,0,0]=3 18020 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [0,1,0,1,0,0|1,0,0]=3 18021 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [0,1,0,1,0,0|1,0,0]=3 18022 B12R1.923 CCCCNCOC(=O)C1CC1 2230a_100000102301_100000140896 [0,1,0,1,0,0|2,0,0]=4 18023 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [0,1,0,1,0,0|1,0,0]=3 18024 B12R1.923 CCCCOCCC(=O)C1CO1 1458a_100000701028_100000743108 [0,1,0,1,0,0|2,0,0]=4 18025 B12R1.923 CCCCOCOC(=O)C1CC1 34a_100000210227_100000140896 [0,1,0,1,0,0|2,0,0]=4 18026 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000140896_100000210210 [0,1,0,1,0,0|2,0,0]=4 18027 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000210211_100000140896 [0,1,0,1,0,0|2,0,0]=4 18028 B12R1.923 CCCOCCNC(=O)C1CC1 1626a_100161115042_100000210395 [0,1,0,1,0,0|2,0,0]=4 18029 B12R1.923 CCCOCCNC(=O)C1CC1 240690a_100161115042_100000210395 [0,1,0,1,0,0|2,0,0]=4 18030 B12R1.923 CCCOCCNC(=O)C1CC1 527a_100161115042_100000210395 [0,1,0,1,0,0|2,0,0]=4 18031 B12R1.923 CCCSCCNC(=O)C1CC1 11a_100020603323_100000210395 [0,1,0,1,0,0|2,0,0]=4 18032 B12R1.923 CCCSCCNC(=O)C1CC1 240690a_100020603323_100000210395 [0,1,0,1,0,0|2,0,0]=4 18033 B12R1.923 CCCSCCNC(=O)C1CC1 527a_100020603323_100000210395 [0,1,0,1,0,0|2,0,0]=4 18034 B12R1.923 CCOCCCNC(=O)C1CC1 11a_100000210961_100000210395 [0,1,0,1,0,0|2,0,0]=4 18035 B12R1.923 CCOCCCNC(=O)C1CC1 1626a_100000210961_100000210395 [0,1,0,1,0,0|2,0,0]=4 18036 B12R1.923 CCOCCCNC(=O)C1CC1 240690a_100000210961_100000210395 [0,1,0,1,0,0|2,0,0]=4 18037 B12R1.923 CCOCCCNC(=O)C1CC1 527a_100000210961_100000210395 [0,1,0,1,0,0|2,0,0]=4 18038 B12R1.923 CCOCCNCC(=O)C1CC1 2230a_102516460346_100000746382 [0,1,0,1,0,0|2,0,0]=4 18039 B12R1.923 CCOCCNCC(=O)C1CC1 34a_102516460346_100000746382 [0,1,0,1,0,0|2,0,0]=4 18040 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000210136_100000746382 [0,1,0,1,0,0|2,0,0]=4 18041 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000686663_100000210147 [0,1,0,1,0,0|2,0,0]=4 18042 B12R1.923 CCOCCOCC(=O)C1CC1 7a_100000210136_100000746382 [0,1,0,1,0,0|2,0,0]=4 18043 B12R1.923 CCOCCSCC(=O)C1CC1 62a_100000210147_100000746382 [0,1,0,1,0,0|2,0,0]=4 18044 B12R1.923 CCOCCSCC(=O)C1CC1 62a_100000746382_100011215890 [0,1,0,1,0,0|2,0,0]=4 18045 B12R1.923 CCSCCNCC(=O)C1CC1 2230a_100000106463_100000746382 [0,1,0,1,0,0|2,0,0]=4 18046 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000212035_100000746382 [0,1,0,1,0,0|2,0,0]=4 18047 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000686663_100000757381 [0,1,0,1,0,0|2,0,0]=4 18048 B12R1.923 CCSCCOCC(=O)C1CC1 7a_100000212035_100000746382 [0,1,0,1,0,0|2,0,0]=4 18049 B12R1.923 CCSCCSCC(=O)C1CC1 62a_100000746382_100000757381 [0,1,0,1,0,0|2,0,0]=4 18050 B12R1.923 CCSCCSCC(=O)C1CC1 62a_100000757381_100000746382 [0,1,0,1,0,0|2,0,0]=4 18051 B12R1.923 CNCCCOCC(=O)C1CC1 34a_100000213112_100000746382 [0,1,0,1,0,0|2,0,0]=4 18052 B12R1.923 COCCCNCC(=O)C1CC1 34a_100150723488_100000746382 [0,1,0,1,0,0|2,0,0]=4 18053 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000686663_100000740836 [0,1,0,1,0,0|2,0,0]=4 18054 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000740835_100000746382 [0,1,0,1,0,0|2,0,0]=4 18055 B12R1.923 COCCCSCC(=O)C1CC1 62a_100000709357_100000746382 [0,1,0,1,0,0|2,0,0]=4 18056 B12R1.923 COCCCSCC(=O)C1CC1 62a_100000746382_100000709357 [0,1,0,1,0,0|2,0,0]=4 18057 B12R1.923 COCCOCCC(=O)C1CC1 1458a_100000210395_100000695917 [0,1,0,1,0,0|2,0,0]=4 18058 B12R1.923 CSCCCNCC(=O)C1CC1 2230a_100000749238_100000746382 [0,1,0,1,0,0|2,0,0]=4 18059 B12R1.923 CSCCCOCC(=O)C1CC1 34a_100000690336_100000746382 [0,1,0,1,0,0|2,0,0]=4 18060 B12R1.923 CSCCCOCC(=O)C1CC1 7a_100000690336_100000746382 [0,1,0,1,0,0|2,0,0]=4 18061 B12R1.923 N#CCCCCCC(=O)C1CC1 1458a_100000210395_100009813376 [0,1,0,1,0,0|1,0,1]=4 18062 B12R1.923 NCCCCOCC(=O)C1CC1 34a_100000750430_100000746382 [0,1,0,1,0,0|2,0,0]=4 18063 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [0,1,0,1,0,0|1,0,0]=3 18064 B12R1.923 O=C(CCCCCCF)C1CO1 1458a_100000701028_100015922095 [0,1,0,1,0,0|2,0,0]=4 18065 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [0,1,0,1,0,0|1,0,0]=3 18066 B12R1.923 O=C(CCCCCCO)C1CO1 1458a_100000701028_100000766143 [0,1,0,1,0,0|2,0,0]=4 18067 B12R1.923 O=C(CNCCCCO)C1CC1 2230a_100000750430_100000746382 [0,1,0,1,0,0|2,0,0]=4 18068 B12R1.923 O=C(CNCCCCO)C1CC1 34a_100000750430_100000746382 [0,1,0,1,0,0|2,0,0]=4 18069 B12R1.923 O=C(COCCCCBr)C1CC1 34a_100011216708_100000746382 [0,1,0,1,0,0|2,0,0]=4 18070 B12R1.923 O=C(COCCCCCl)C1CC1 34a_100000210776_100000746382 [0,1,0,1,0,0|2,0,0]=4 18071 B12R1.923 O=C(COCCCCCl)C1CC1 7a_100000210776_100000746382 [0,1,0,1,0,0|2,0,0]=4 18072 B12R1.923 O=C(COCCCCF)C1CC1 34a_100000686663_100000729493 [0,1,0,1,0,0|2,0,0]=4 18073 B12R1.923 O=C(COCCCCF)C1CC1 34a_100011995726_100000746382 [0,1,0,1,0,0|2,0,0]=4 18074 B12R1.923 O=C(COCCCCF)C1CC1 7a_100011995726_100000746382 [0,1,0,1,0,0|2,0,0]=4 18075 B12R1.923 O=C(COCCCCI)C1CC1 34a_200012148704_100000746382 [0,1,0,1,0,0|2,0,0]=4 18076 B12R1.923 O=C(COCCCCO)C1CC1 34a_100000686663_100011216708 [0,1,0,1,0,0|2,0,0]=4 18077 B12R1.923 O=C(CSCCCCF)C1CC1 62a_100000729493_100000746382 [0,1,0,1,0,0|2,0,0]=4 18078 B12R1.923 O=C(CSCCCCF)C1CC1 62a_100000746382_100000729493 [0,1,0,1,0,0|2,0,0]=4 18079 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000210776_100000746382 [0,1,0,1,0,0|2,0,0]=4 18080 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000746382_100000210776 [0,1,0,1,0,0|2,0,0]=4 18081 B12R1.923 O=C(NCCCCCO)C1CC1 240690a_100000762737_100000210395 [0,1,0,1,0,0|2,0,0]=4 18082 B12R1.1419 CCCCCN1CC(C1)OCC 269982a_100000732654_100000210215 [0,1,0,1,0,0|1,0,1]=4 18083 B12R1.1419 CCCCCN1CC(C1)OCC 34a_100000732654_100000718602 [0,1,0,1,0,0|1,0,1]=4 18084 B12R1.1505 C=COC(=O)COCC1CC1C 34a_100000744939_100000036128 [0,1,0,1,0,0|0,0,2]=4 18085 B12R1.1505 CC1CC1COCC(=O)NCO 34a_100000744939_100000185155 [0,1,0,1,0,0|2,0,0]=4 18086 B12R1.1505 CC1CC1COCC(=O)NCO 7a_100000744939_100000185155 [0,1,0,1,0,0|2,0,0]=4 18087 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,1,0,1,0,0|1,0,0]=3 18088 B12R1.1505 CCNC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000737597 [0,1,0,1,0,0|2,0,0]=4 18089 B12R1.1505 CCNC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000737597 [0,1,0,1,0,0|2,0,0]=4 18090 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,1,0,1,0,0|1,0,0]=3 18091 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,1,0,1,0,0|1,0,0]=3 18092 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011206558 [0,1,0,1,0,0|1,0,0]=3 18093 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100011206558 [0,1,0,1,0,0|1,0,0]=3 18094 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000765890 [0,1,0,1,0,0|1,0,0]=3 18095 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,1,0,1,0,0|0,0,0]=2 18096 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,1,0,1,0,0|0,0,0]=2 18097 B12R1.1564 CC#CC(=O)C1CCCCCC1 1458a_100000763181_100011217769 [0,1,0,1,0,0|1,0,1]=4 18098 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,1,0,1,0,0|1,0,1]=4 18099 B12R1.1564 CC=CC(=O)N1CCCCCC1 11a_100000185865_100000210699 [0,1,0,1,0,0|1,0,1]=4 18100 B12R1.1564 CC=CC(=O)N1CCCCCC1 1626a_100000185865_100000210699 [0,1,0,1,0,0|1,0,1]=4 18101 B12R1.1564 CC=CC(=O)N1CCCCCC1 240690a_100000185865_100000210699 [0,1,0,1,0,0|1,0,1]=4 18102 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [0,1,0,1,0,0|1,0,1]=4 18103 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,1,0,1,0,0|1,0,0]=3 18104 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,1,0,1,0,0|1,0,0]=3 18105 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 18106 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 18107 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 18108 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,1,0,1,0,0|1,0,0]=3 18109 B12R1.1564 CCCC(=O)N1CCCOCC1 11a_100000685342_100000211992 [0,1,0,1,0,0|2,0,0]=4 18110 B12R1.1564 CCCC(=O)N1CCCOCC1 1626a_100000685342_100000211992 [0,1,0,1,0,0|2,0,0]=4 18111 B12R1.1564 CCCC(=O)N1CCCOCC1 240690a_100000685342_100000211992 [0,1,0,1,0,0|2,0,0]=4 18112 B12R1.1564 CCCC(=O)N1CCCOCC1 527a_100000685342_100000211992 [0,1,0,1,0,0|2,0,0]=4 18113 B12R1.1564 CCNC(=O)C1CCC=CCC1 11a_100015525214_100000048548 [0,1,0,1,0,0|1,0,1]=4 18114 B12R1.1564 CCNC(=O)C1CCC=CCC1 240690a_100015525214_100000048548 [0,1,0,1,0,0|1,0,1]=4 18115 B12R1.1564 CCNC(=O)C1CCC=CCC1 527a_100015525214_100000048548 [0,1,0,1,0,0|1,0,1]=4 18116 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 18117 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 18118 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,1,0,1,0,0|1,0,0]=3 18119 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,1,0,1,0,0|1,0,0]=3 18120 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,1,0,1,0,0|1,0,0]=3 18121 B12R1.1564 CCNC(=O)N1CCCOCC1 2708a_100015525214_100000685342 [0,1,0,1,0,0|2,0,0]=4 18122 B12R1.1564 CCNC(=O)N1CCCOCC1 273464a_100015525214_100000685342 [0,1,0,1,0,0|2,0,0]=4 18123 B12R1.1564 CNCC(=O)N1CCCCCC1 2230a_106832991635_100000182869 [0,1,0,1,0,0|2,0,0]=4 18124 B12R1.1564 CNCC(=O)N1CCCCCC1 34a_100102657272_100000182869 [0,1,0,1,0,0|2,0,0]=4 18125 B12R1.1564 CNCC(=O)N1CCCCCC1 7a_106832991635_100000182869 [0,1,0,1,0,0|2,0,0]=4 18126 B12R1.1564 CNNC(=O)C1CCCCCC1 22a_100016993582_100000749507 [0,1,0,1,0,0|2,0,0]=4 18127 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,1,0,1,0,0|2,0,0]=4 18128 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 18129 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 18130 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 18131 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,1,0,1,0,0|2,0,0]=4 18132 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,1,0,1,0,0|2,0,0]=4 18133 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,1,0,1,0,0|2,0,0]=4 18134 B12R1.1564 CSCC(=O)N1CCCCCC1 11a_100000185865_100000184570 [0,1,0,1,0,0|2,0,0]=4 18135 B12R1.1564 CSCC(=O)N1CCCCCC1 1626a_100000185865_100000184570 [0,1,0,1,0,0|2,0,0]=4 18136 B12R1.1564 CSCC(=O)N1CCCCCC1 240690a_100000185865_100000184570 [0,1,0,1,0,0|2,0,0]=4 18137 B12R1.1564 CSCC(=O)N1CCCCCC1 527a_100000185865_100000184570 [0,1,0,1,0,0|2,0,0]=4 18138 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_100000182869_200000210301 [0,1,0,1,0,0|2,0,0]=4 18139 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_200000210301_100000182869 [0,1,0,1,0,0|2,0,0]=4 18140 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,1,0,1,0,0|2,0,0]=4 18141 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,1,0,1,0,0|2,0,0]=4 18142 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,1,0,1,0,0|2,0,0]=4 18143 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,1,0,1,0,0|2,0,0]=4 18144 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_100000182869_200025704644 [0,1,0,1,0,0|2,0,0]=4 18145 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_200025704644_100000182869 [0,1,0,1,0,0|2,0,0]=4 18146 B12R1.31 CCCC(=O)CC1CCN(C1)C 1458a_100000211992_200000690779 [0,1,0,1,0,0|2,0,0]=4 18147 B12R1.31 CCCC(=O)CN1CCC(C1)O 2230a_100011215560_100000747444 [0,1,0,1,0,0|2,0,0]=4 18148 B12R1.31 CCCC(=O)CN1CCC(C1)O 269982a_100011215560_100000747444 [0,1,0,1,0,0|2,0,0]=4 18149 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747444 [0,1,0,1,0,0|2,0,0]=4 18150 B12R1.31 CCCC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000747444 [0,1,0,1,0,0|2,0,0]=4 18151 B12R1.31 CCCC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000747444 [0,1,0,1,0,0|2,0,0]=4 18152 B12R1.31 CCCC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000747444 [0,1,0,1,0,0|2,0,0]=4 18153 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000211992 [0,1,0,1,0,0|2,0,0]=4 18154 B12R1.31 CCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000211992 [0,1,0,1,0,0|2,0,0]=4 18155 B12R1.31 CCNC(=O)CN1CCC(C1)O 2230a_100011215560_100000183381 [0,1,0,1,0,0|2,0,0]=4 18156 B12R1.31 CCNC(=O)CN1CCC(C1)O 269982a_100011215560_100000183381 [0,1,0,1,0,0|2,0,0]=4 18157 B12R1.31 CCNC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000183381 [0,1,0,1,0,0|2,0,0]=4 18158 B12R1.31 CCNC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000183381 [0,1,0,1,0,0|2,0,0]=4 18159 B12R1.31 CCNC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000183381 [0,1,0,1,0,0|2,0,0]=4 18160 B12R1.31 CCNC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000183381 [0,1,0,1,0,0|2,0,0]=4 18161 B12R1.31 CCNC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000183381 [0,1,0,1,0,0|2,0,0]=4 18162 B12R1.31 CCNC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000183381 [0,1,0,1,0,0|2,0,0]=4 18163 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100015195300_100015525214 [0,1,0,1,0,0|2,0,0]=4 18164 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 2708a_100015525214_100015195300 [0,1,0,1,0,0|2,0,0]=4 18165 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100015195300_100015525214 [0,1,0,1,0,0|2,0,0]=4 18166 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 273464a_100015525214_100015195300 [0,1,0,1,0,0|2,0,0]=4 18167 B12R1.31 CCNC(=O)N[C@H]1CC[C@H](C1)O 512a_100015195300_100015525214 [0,1,0,1,0,0|2,0,0]=4 18168 B12R1.31 CCOC(=O)CN1CCC(C1)O 2230a_100011215560_100000188475 [0,1,0,1,0,0|1,0,0]=3 18169 B12R1.31 CCOC(=O)CN1CCC(C1)O 269982a_100011215560_100000188475 [0,1,0,1,0,0|1,0,0]=3 18170 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000188475 [0,1,0,1,0,0|1,0,0]=3 18171 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000188475 [0,1,0,1,0,0|1,0,0]=3 18172 B12R1.31 CCOC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000188475 [0,1,0,1,0,0|1,0,0]=3 18173 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000188475 [0,1,0,1,0,0|1,0,0]=3 18174 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000188475 [0,1,0,1,0,0|1,0,0]=3 18175 B12R1.31 CCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000188475 [0,1,0,1,0,0|1,0,0]=3 18176 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 2230a_106256037354_200000210301 [0,1,0,1,0,0|1,0,0]=3 18177 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)C 269982a_106256037354_200000210301 [0,1,0,1,0,0|1,0,0]=3 18178 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 2230a_106256037354_200025704644 [0,1,0,1,0,0|1,0,0]=3 18179 B12R1.31 CCOC(=O)C[C@H]1CCN(C1)[13CH3] 269982a_106256037354_200025704644 [0,1,0,1,0,0|1,0,0]=3 18180 B12R1.53 C#CCCC(=O)CC1CCCC1 1458a_100000210891_100000753159 [0,1,0,1,0,0|1,0,1]=4 18181 B12R1.53 C#CCCC(=O)CC1CCCC1 1458a_100000692101_100000740388 [0,1,0,1,0,0|1,0,1]=4 18182 B12R1.53 C#CCNC(=O)CC1CCCC1 11a_100000212058_100000210891 [0,1,0,1,0,0|1,0,1]=4 18183 B12R1.53 C#CCNC(=O)CC1CCCC1 1626a_100000212058_100000210891 [0,1,0,1,0,0|1,0,1]=4 18184 B12R1.53 C#CCNC(=O)CC1CCCC1 240690a_100000212058_100000210891 [0,1,0,1,0,0|1,0,1]=4 18185 B12R1.53 C#CCNC(=O)CC1CCCC1 527a_100000212058_100000210891 [0,1,0,1,0,0|1,0,1]=4 18186 B12R1.53 C/C=C/CC(=O)CC1CCCC1 1458a_100000210891_100102629194 [0,1,0,1,0,0|1,0,1]=4 18187 B12R1.53 C=C(CN1CCCC1)OCOC 269982a_100000188435_100000042856 [0,1,0,1,0,0|2,0,0]=4 18188 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000210891_100000754431 [0,1,0,1,0,0|1,0,1]=4 18189 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000749702_100000740388 [0,1,0,1,0,0|1,0,1]=4 18190 B12R1.53 C=CCNC(=O)CC1CCCC1 1626a_100020586998_100000210891 [0,1,0,1,0,0|1,0,1]=4 18191 B12R1.53 C=CCNC(=O)CC1CCCC1 240690a_100020586998_100000210891 [0,1,0,1,0,0|1,0,1]=4 18192 B12R1.53 C=CCNC(=O)CC1CCCC1 527a_100020586998_100000210891 [0,1,0,1,0,0|1,0,1]=4 18193 B12R1.53 C=CCOC(=O)CN1CCCC1 2230a_100000188435_100000033060 [0,1,0,1,0,0|1,0,1]=4 18194 B12R1.53 C=CCOC(=O)CN1CCCC1 269982a_100000188435_100000033060 [0,1,0,1,0,0|1,0,1]=4 18195 B12R1.53 CC#CCC(=O)CC1CCCC1 1458a_100000210891_100000748600 [0,1,0,1,0,0|1,0,1]=4 18196 B12R1.53 CC=CCC(=O)CC1CCCC1 1458a_100000210891_100000070051 [0,1,0,1,0,0|1,0,1]=4 18197 B12R1.53 CC=CCC(=O)CC1CCCC1 1458a_100121576822_100000740388 [0,1,0,1,0,0|1,0,1]=4 18198 B12R1.53 CCC#CC(=O)CC1CCCC1 1458a_100011827653_100000740388 [0,1,0,1,0,0|1,0,0]=3 18199 B12R1.53 CCC#CC(=O)CC1CCCO1 1458a_100011827653_100000203698 [0,1,0,1,0,0|2,0,0]=4 18200 B12R1.53 CCC#CC(=O)CC1CCOC1 1458a_100011827653_100000702531 [0,1,0,1,0,0|2,0,0]=4 18201 B12R1.53 CCC=CC(=O)CC1CCCC1 1458a_100000212282_100000740388 [0,1,0,1,0,0|1,0,0]=3 18202 B12R1.53 CCC=CC(=O)CC1CCCO1 1458a_100000212282_100000203698 [0,1,0,1,0,0|2,0,0]=4 18203 B12R1.53 CCC=CC(=O)CC1CCOC1 1458a_100000212282_100000702531 [0,1,0,1,0,0|2,0,0]=4 18204 B12R1.53 CCC=CC(=O)NC1CCCC1 11a_100000211070_100000212282 [0,1,0,1,0,0|2,0,0]=4 18205 B12R1.53 CCC=CC(=O)NC1CCCC1 1626a_100000211070_100000212282 [0,1,0,1,0,0|2,0,0]=4 18206 B12R1.53 CCC=CC(=O)NC1CCCC1 240690a_100000211070_100000212282 [0,1,0,1,0,0|2,0,0]=4 18207 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [0,1,0,1,0,0|1,0,0]=3 18208 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [0,1,0,1,0,0|1,0,0]=3 18209 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [0,1,0,1,0,0|2,0,0]=4 18210 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100000210183_100000702531 [0,1,0,1,0,0|2,0,0]=4 18211 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100011218419_100000210211 [0,1,0,1,0,0|2,0,0]=4 18212 B12R1.53 CCCCC(=O)CN1CCCC1 1458a_100000740243_100000210211 [0,1,0,1,0,0|2,0,0]=4 18213 B12R1.53 CCCCC(=O)NC1CCCC1 11a_100000211070_100000210183 [0,1,0,1,0,0|2,0,0]=4 18214 B12R1.53 CCCCC(=O)NC1CCCC1 1626a_100000211070_100000210183 [0,1,0,1,0,0|2,0,0]=4 18215 B12R1.53 CCCCC(=O)NC1CCCC1 240690a_100000211070_100000210183 [0,1,0,1,0,0|2,0,0]=4 18216 B12R1.53 CCCCC(=O)NC1CCCC1 527a_100000211070_100000210183 [0,1,0,1,0,0|2,0,0]=4 18217 B12R1.53 CCCNC(=O)CC1CCCC1 11a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 18218 B12R1.53 CCCNC(=O)CC1CCCC1 1626a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 18219 B12R1.53 CCCNC(=O)CC1CCCC1 240690a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 18220 B12R1.53 CCCNC(=O)CC1CCCC1 527a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 18221 B12R1.53 CCCNC(=O)CC1CCOC1 11a_100020643023_100011218419 [0,1,0,1,0,0|2,0,0]=4 18222 B12R1.53 CCCNC(=O)CC1CCOC1 1626a_100020643023_100011218419 [0,1,0,1,0,0|2,0,0]=4 18223 B12R1.53 CCCNC(=O)CC1CCOC1 240690a_100020643023_100011218419 [0,1,0,1,0,0|2,0,0]=4 18224 B12R1.53 CCCNC(=O)CC1CCOC1 527a_100020643023_100011218419 [0,1,0,1,0,0|2,0,0]=4 18225 B12R1.53 CCCNC(=O)CN1CCCC1 2230a_100000188435_100000183358 [0,1,0,1,0,0|2,0,0]=4 18226 B12R1.53 CCCNC(=O)CN1CCCC1 240690a_100020643023_100000740243 [0,1,0,1,0,0|2,0,0]=4 18227 B12R1.53 CCCNC(=O)CN1CCCC1 269982a_100000188435_100000183358 [0,1,0,1,0,0|2,0,0]=4 18228 B12R1.53 CCCNC(=O)CN1CCCC1 527a_100020643023_100000740243 [0,1,0,1,0,0|2,0,0]=4 18229 B12R1.53 CCCNC(=O)NC1CCCC1 2708a_100000211070_100020643023 [0,1,0,1,0,0|2,0,0]=4 18230 B12R1.53 CCCNC(=O)NC1CCCC1 2708a_100020643023_100000211070 [0,1,0,1,0,0|2,0,0]=4 18231 B12R1.53 CCCNC(=O)NC1CCCC1 273464a_100000211070_100020643023 [0,1,0,1,0,0|2,0,0]=4 18232 B12R1.53 CCCNC(=O)NC1CCCC1 273464a_100020643023_100000211070 [0,1,0,1,0,0|2,0,0]=4 18233 B12R1.53 CCCNC(=O)NC1CCCC1 512a_100000211070_100020643023 [0,1,0,1,0,0|2,0,0]=4 18234 B12R1.53 CCCNC(=O)NC1CCCC1 512a_100020643023_100000211070 [0,1,0,1,0,0|2,0,0]=4 18235 B12R1.53 CCCOC(=O)CN1CCCC1 2230a_100000188435_200011215008 [0,1,0,1,0,0|1,0,0]=3 18236 B12R1.53 CCCOC(=O)CN1CCCC1 269982a_100000188435_200011215008 [0,1,0,1,0,0|1,0,0]=3 18237 B12R1.53 CCCOC(=O)CN1CCSC1 2230a_100011215254_200011215008 [0,1,0,1,0,0|2,0,0]=4 18238 B12R1.53 CCCOC(=O)CN1CCSC1 269982a_100011215254_200011215008 [0,1,0,1,0,0|2,0,0]=4 18239 B12R1.53 CCNCC(=O)NC1CCCC1 2230a_100000747513_100000210202 [0,1,0,1,0,0|2,0,0]=4 18240 B12R1.53 CCNCC(=O)NC1CCCC1 2230a_100015525214_100000183512 [0,1,0,1,0,0|2,0,0]=4 18241 B12R1.53 CCNN=C(C)CC1CCCC1 4a_100000756455_100000692464 [0,1,0,1,0,0|2,0,0]=4 18242 B12R1.53 CCNNC(=O)CC1CCCC1 22a_100000756455_100000210891 [0,1,0,1,0,0|1,0,0]=3 18243 B12R1.53 CCNNC(=O)CC1CCOC1 22a_100000756455_100011218419 [0,1,0,1,0,0|2,0,0]=4 18244 B12R1.53 CCNNC(=O)CN1CCCC1 22a_100000756455_100000740243 [0,1,0,1,0,0|2,0,0]=4 18245 B12R1.53 CCNNC(=O)NC1CCCC1 273464a_100000211070_100000756455 [0,1,0,1,0,0|2,0,0]=4 18246 B12R1.53 CCNNC(=O)NC1CCCC1 512a_100000211070_100000756455 [0,1,0,1,0,0|2,0,0]=4 18247 B12R1.53 CCNNC(=O)NC1CCCC1 512a_100000756455_100000211070 [0,1,0,1,0,0|2,0,0]=4 18248 B12R1.53 CCOCC(=O)CC1CCCC1 1458a_100000211967_100000740388 [0,1,0,1,0,0|0,0,0]=2 18249 B12R1.53 CCOCC(=O)CC1CCCO1 1458a_100000211967_100000203698 [0,1,0,1,0,0|1,0,0]=3 18250 B12R1.53 CCOCC(=O)CC1CCOC1 1458a_100000211967_100000702531 [0,1,0,1,0,0|1,0,0]=3 18251 B12R1.53 CCOCC(=O)CC1OCCO1 1458a_100000211967_100000755774 [0,1,0,1,0,0|2,0,0]=4 18252 B12R1.53 CCOCC(=O)NC1CCCC1 11a_100000211070_100000211967 [0,1,0,1,0,0|1,0,0]=3 18253 B12R1.53 CCOCC(=O)NC1CCCC1 1626a_100000211070_100000211967 [0,1,0,1,0,0|1,0,0]=3 18254 B12R1.53 CCOCC(=O)NC1CCCC1 240690a_100000211070_100000211967 [0,1,0,1,0,0|1,0,0]=3 18255 B12R1.53 CCOCC(=O)NC1CCCC1 34a_100121572206_100000183512 [0,1,0,1,0,0|1,0,0]=3 18256 B12R1.53 CCOCC(=O)NC1CCCC1 527a_100000211070_100000211967 [0,1,0,1,0,0|1,0,0]=3 18257 B12R1.53 CCOCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211967 [0,1,0,1,0,0|2,0,0]=4 18258 B12R1.53 CCOCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211967 [0,1,0,1,0,0|2,0,0]=4 18259 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211967 [0,1,0,1,0,0|2,0,0]=4 18260 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211967 [0,1,0,1,0,0|2,0,0]=4 18261 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211967 [0,1,0,1,0,0|2,0,0]=4 18262 B12R1.53 CCOCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211967 [0,1,0,1,0,0|2,0,0]=4 18263 B12R1.53 CCSCC(=O)CC1CCCC1 1458a_100000230394_100000740388 [0,1,0,1,0,0|0,1,0]=3 18264 B12R1.53 CCSCC(=O)CC1CCCO1 1458a_100000230394_100000203698 [0,1,0,1,0,0|1,1,0]=4 18265 B12R1.53 CCSCC(=O)CC1CCOC1 1458a_100000230394_100000702531 [0,1,0,1,0,0|1,1,0]=4 18266 B12R1.53 CCSCC(=O)NC1CCCC1 11a_100000211070_100000230394 [0,1,0,1,0,0|1,1,0]=4 18267 B12R1.53 CCSCC(=O)NC1CCCC1 1626a_100000211070_100000230394 [0,1,0,1,0,0|1,1,0]=4 18268 B12R1.53 CCSCC(=O)NC1CCCC1 240690a_100000211070_100000230394 [0,1,0,1,0,0|1,1,0]=4 18269 B12R1.53 CCSCC(=O)NC1CCCC1 527a_100000211070_100000230394 [0,1,0,1,0,0|1,1,0]=4 18270 B12R1.53 CCSCC(=O)NC1CCCC1 62a_100000183512_100000210202 [0,1,0,1,0,0|1,1,0]=4 18271 B12R1.53 CCSCC(=O)NC1CCCC1 62a_100000210202_100000183512 [0,1,0,1,0,0|1,1,0]=4 18272 B12R1.53 CNCCC(=O)NC1CCCC1 2230a_106832991635_100000743710 [0,1,0,1,0,0|2,0,0]=4 18273 B12R1.53 CNCCC(=O)NC1CCCC1 7a_106832991635_100000743710 [0,1,0,1,0,0|2,0,0]=4 18274 B12R1.53 COC=CC(=O)CC1CCCC1 1458a_100016268678_100000740388 [0,1,0,1,0,0|1,0,1]=4 18275 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000210891_100000233755 [0,1,0,1,0,0|1,0,0]=3 18276 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000749529_100000740388 [0,1,0,1,0,0|1,0,0]=3 18277 B12R1.53 COCCC(=O)CC1CCCO1 1458a_100000749529_100000203698 [0,1,0,1,0,0|2,0,0]=4 18278 B12R1.53 COCCC(=O)CC1CCOC1 1458a_100000749529_100000702531 [0,1,0,1,0,0|2,0,0]=4 18279 B12R1.53 COCCC(=O)CC1CCOC1 1458a_100011218419_100000233755 [0,1,0,1,0,0|2,0,0]=4 18280 B12R1.53 COCCC(=O)CN1CCCC1 1458a_100000740243_100000233755 [0,1,0,1,0,0|2,0,0]=4 18281 B12R1.53 COCCC(=O)NC1CCCC1 11a_100000211070_100000749529 [0,1,0,1,0,0|2,0,0]=4 18282 B12R1.53 COCCC(=O)NC1CCCC1 1626a_100000211070_100000749529 [0,1,0,1,0,0|2,0,0]=4 18283 B12R1.53 COCCC(=O)NC1CCCC1 240690a_100000211070_100000749529 [0,1,0,1,0,0|2,0,0]=4 18284 B12R1.53 COCCC(=O)NC1CCCC1 527a_100000211070_100000749529 [0,1,0,1,0,0|2,0,0]=4 18285 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000174002_100000740388 [0,1,0,1,0,0|1,0,0]=3 18286 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000210891_100000751147 [0,1,0,1,0,0|1,0,0]=3 18287 B12R1.53 CSCCC(=O)CC1CCCO1 1458a_100000174002_100000203698 [0,1,0,1,0,0|2,0,0]=4 18288 B12R1.53 CSCCC(=O)CC1CCOC1 1458a_100000174002_100000702531 [0,1,0,1,0,0|2,0,0]=4 18289 B12R1.53 CSCCC(=O)CC1CCOC1 1458a_100011218419_100000751147 [0,1,0,1,0,0|2,0,0]=4 18290 B12R1.53 CSCCC(=O)CN1CCCC1 1458a_100000740243_100000751147 [0,1,0,1,0,0|2,0,0]=4 18291 B12R1.53 CSCCC(=O)NC1CCCC1 11a_100000211070_100000174002 [0,1,0,1,0,0|2,0,0]=4 18292 B12R1.53 CSCCC(=O)NC1CCCC1 1626a_100000211070_100000174002 [0,1,0,1,0,0|2,0,0]=4 18293 B12R1.53 CSCCC(=O)NC1CCCC1 240690a_100000211070_100000174002 [0,1,0,1,0,0|2,0,0]=4 18294 B12R1.53 CSCCC(=O)NC1CCCC1 527a_100000211070_100000174002 [0,1,0,1,0,0|2,0,0]=4 18295 B12R1.53 CSCCC(=O)NC1CCCC1 62a_100000743710_200000210301 [0,1,0,1,0,0|2,0,0]=4 18296 B12R1.53 CSCCC(=O)NC1CCCC1 62a_200000210301_100000743710 [0,1,0,1,0,0|2,0,0]=4 18297 B12R1.53 N#CCCC(=O)CC1CCCC1 1458a_100000210891_100011215226 [0,1,0,1,0,0|1,0,1]=4 18298 B12R1.53 N#CCCC(=O)CC1CCCC1 1458a_100011934036_100000740388 [0,1,0,1,0,0|1,0,1]=4 18299 B12R1.53 N#CCNC(=O)CC1CCCC1 1626a_100000734998_100000210891 [0,1,0,1,0,0|1,0,1]=4 18300 B12R1.53 N#CCNC(=O)CC1CCCC1 527a_100000734998_100000210891 [0,1,0,1,0,0|1,0,1]=4 18301 B12R1.53 O=C(C#CCO)CC1CCCC1 1458a_100000049017_100000740388 [0,1,0,1,0,0|1,0,1]=4 18302 B12R1.53 O=C(CC1CCCC1)NCCF 11a_100000724931_100000210891 [0,1,0,1,0,0|1,0,0]=3 18303 B12R1.53 O=C(CC1CCCC1)NCCF 1626a_100000724931_100000210891 [0,1,0,1,0,0|1,0,0]=3 18304 B12R1.53 O=C(CC1CCCC1)NCCF 240690a_100000724931_100000210891 [0,1,0,1,0,0|1,0,0]=3 18305 B12R1.53 O=C(CC1CCCC1)NCCF 527a_100000724931_100000210891 [0,1,0,1,0,0|1,0,0]=3 18306 B12R1.53 O=C(CC1CCCC1)NCCO 240690a_100000210304_100000210891 [0,1,0,1,0,0|1,0,0]=3 18307 B12R1.53 O=C(CC1CCCC1)NCCO 527a_100000210304_100000210891 [0,1,0,1,0,0|1,0,0]=3 18308 B12R1.53 O=C(CC1CCOC1)NCCF 11a_100000724931_100011218419 [0,1,0,1,0,0|2,0,0]=4 18309 B12R1.53 O=C(CC1CCOC1)NCCF 1626a_100000724931_100011218419 [0,1,0,1,0,0|2,0,0]=4 18310 B12R1.53 O=C(CC1CCOC1)NCCF 240690a_100000724931_100011218419 [0,1,0,1,0,0|2,0,0]=4 18311 B12R1.53 O=C(CC1CCOC1)NCCF 527a_100000724931_100011218419 [0,1,0,1,0,0|2,0,0]=4 18312 B12R1.53 O=C(CC1CCOC1)NCCO 240690a_100000210304_100011218419 [0,1,0,1,0,0|2,0,0]=4 18313 B12R1.53 O=C(CC1CCOC1)NCCO 527a_100000210304_100011218419 [0,1,0,1,0,0|2,0,0]=4 18314 B12R1.53 O=C(CCCF)CC1CCCC1 1458a_100000210891_100011934791 [0,1,0,1,0,0|1,0,0]=3 18315 B12R1.53 O=C(CCCF)CC1CCOC1 1458a_100011218419_100011934791 [0,1,0,1,0,0|2,0,0]=4 18316 B12R1.53 O=C(CCCF)CN1CCCC1 1458a_100000740243_100011934791 [0,1,0,1,0,0|2,0,0]=4 18317 B12R1.53 O=C(CCCO)CC1CCCC1 1458a_100000210891_100011215043 [0,1,0,1,0,0|1,0,0]=3 18318 B12R1.53 O=C(CCCO)CC1CCOC1 1458a_100011218419_100011215043 [0,1,0,1,0,0|2,0,0]=4 18319 B12R1.53 O=C(CCCO)CN1CCCC1 1458a_100000740243_100011215043 [0,1,0,1,0,0|2,0,0]=4 18320 B12R1.53 O=C(CN1CCCC1)NCCF 240690a_100000724931_100000740243 [0,1,0,1,0,0|2,0,0]=4 18321 B12R1.53 O=C(CN1CCCC1)NCCF 527a_100000724931_100000740243 [0,1,0,1,0,0|2,0,0]=4 18322 B12R1.53 O=C(CN1CCCC1)NCCO 240690a_100000210304_100000740243 [0,1,0,1,0,0|2,0,0]=4 18323 B12R1.53 O=C(CN1CCCC1)NCCO 527a_100000210304_100000740243 [0,1,0,1,0,0|2,0,0]=4 18324 B12R1.53 O=C(NCCF)NC1CCCC1 2708a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 18325 B12R1.53 O=C(NCCF)NC1CCCC1 273464a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 18326 B12R1.53 O=C(NCCF)NC1CCCC1 273464a_100000724931_100000211070 [0,1,0,1,0,0|2,0,0]=4 18327 B12R1.53 O=C(NCCF)NC1CCCC1 512a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 18328 B12R1.53 O=C(NCCO)NC1CCCC1 2708a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 18329 B12R1.53 O=C(NCCO)NC1CCCC1 273464a_100000210304_100000211070 [0,1,0,1,0,0|2,0,0]=4 18330 B12R1.53 O=C(NCCO)NC1CCCC1 273464a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 18331 B12R1.53 O=C(NCCO)NC1CCCC1 512a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 18332 B12R1.53 [13CH3]SCCC(=O)NC1CCCC1 62a_100000743710_200025704644 [0,1,0,1,0,0|2,0,0]=4 18333 B12R1.53 [13CH3]SCCC(=O)NC1CCCC1 62a_200025704644_100000743710 [0,1,0,1,0,0|2,0,0]=4 18334 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,1,0,1,0,0|2,0,0]=4 18335 B12R1.380 CCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210303 [0,1,0,1,0,0|2,0,0]=4 18336 B12R1.380 CCCNC1CC(=O)N(C1)CC 34a_100015184948_100000210303 [0,1,0,1,0,0|2,0,0]=4 18337 B12R1.380 CCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210202 [0,1,0,1,0,0|2,0,0]=4 18338 B12R1.380 CCNCC1CC(=O)N(C1)CC 34a_100011935115_100000210202 [0,1,0,1,0,0|2,0,0]=4 18339 B12R1.380 CCOCC1CC(=O)N(C1)CC 34a_100000758270_100000210202 [0,1,0,1,0,0|2,0,0]=4 18340 B12R1.380 CCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210202 [0,1,0,1,0,0|2,0,0]=4 18341 B12R1.460 C#CCCC(=O)C1CCCC1C 1458a_100000690547_100000753159 [0,1,0,1,0,0|1,0,1]=4 18342 B12R1.460 C#CCNC(=O)C1CCCC1C 11a_100000212058_100000690547 [0,1,0,1,0,0|1,0,1]=4 18343 B12R1.460 C#CCNC(=O)C1CCCC1C 1626a_100000212058_100000690547 [0,1,0,1,0,0|1,0,1]=4 18344 B12R1.460 C#CCNC(=O)C1CCCC1C 240690a_100000212058_100000690547 [0,1,0,1,0,0|1,0,1]=4 18345 B12R1.460 C#CCNC(=O)C1CCCC1C 527a_100000212058_100000690547 [0,1,0,1,0,0|1,0,1]=4 18346 B12R1.460 C/C=C/CC(=O)C1CCCC1C 1458a_100000690547_100102629194 [0,1,0,1,0,0|1,0,1]=4 18347 B12R1.460 C=CCCC(=O)C1CCCC1C 1458a_100000690547_100000754431 [0,1,0,1,0,0|1,0,1]=4 18348 B12R1.460 C=CCNC(=O)C1CCCC1C 1626a_100020586998_100000690547 [0,1,0,1,0,0|1,0,1]=4 18349 B12R1.460 C=CCNC(=O)C1CCCC1C 240690a_100020586998_100000690547 [0,1,0,1,0,0|1,0,1]=4 18350 B12R1.460 C=CCNC(=O)C1CCCC1C 527a_100020586998_100000690547 [0,1,0,1,0,0|1,0,1]=4 18351 B12R1.460 CC#CCC(=O)C1CCCC1C 1458a_100000690547_100000748600 [0,1,0,1,0,0|1,0,1]=4 18352 B12R1.460 CC1CCCC1C(=O)CCC#N 1458a_100000690547_100011215226 [0,1,0,1,0,0|1,0,1]=4 18353 B12R1.460 CC1CCCC1C(=O)CCCF 1458a_100000690547_100011934791 [0,1,0,1,0,0|1,0,0]=3 18354 B12R1.460 CC1CCCC1C(=O)CCCO 1458a_100000690547_100011215043 [0,1,0,1,0,0|1,0,0]=3 18355 B12R1.460 CC1CCCC1C(=O)NCC#N 1626a_100000734998_100000690547 [0,1,0,1,0,0|1,0,1]=4 18356 B12R1.460 CC1CCCC1C(=O)NCC#N 527a_100000734998_100000690547 [0,1,0,1,0,0|1,0,1]=4 18357 B12R1.460 CC1CCCC1C(=O)NCCF 11a_100000724931_100000690547 [0,1,0,1,0,0|1,0,0]=3 18358 B12R1.460 CC1CCCC1C(=O)NCCF 1626a_100000724931_100000690547 [0,1,0,1,0,0|1,0,0]=3 18359 B12R1.460 CC1CCCC1C(=O)NCCF 240690a_100000724931_100000690547 [0,1,0,1,0,0|1,0,0]=3 18360 B12R1.460 CC1CCCC1C(=O)NCCF 527a_100000724931_100000690547 [0,1,0,1,0,0|1,0,0]=3 18361 B12R1.460 CC1CCCC1C(=O)NCCO 240690a_100000210304_100000690547 [0,1,0,1,0,0|1,0,0]=3 18362 B12R1.460 CC1CCCC1C(=O)NCCO 527a_100000210304_100000690547 [0,1,0,1,0,0|1,0,0]=3 18363 B12R1.460 CC=CCC(=O)C1CCCC1C 1458a_100000690547_100000070051 [0,1,0,1,0,0|1,0,1]=4 18364 B12R1.460 CCC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000212282 [0,1,0,1,0,0|2,0,0]=4 18365 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000212282 [0,1,0,1,0,0|2,0,0]=4 18366 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000212282 [0,1,0,1,0,0|2,0,0]=4 18367 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [0,1,0,1,0,0|1,0,1]=4 18368 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [0,1,0,1,0,0|1,0,0]=3 18369 B12R1.460 CCCCC(=O)C1CCOC1=O 1458a_100000210183_100000211211 [0,1,0,1,0,0|0,0,1]=3 18370 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210183 [0,1,0,1,0,0|2,0,0]=4 18371 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210183 [0,1,0,1,0,0|2,0,0]=4 18372 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210183 [0,1,0,1,0,0|2,0,0]=4 18373 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210183 [0,1,0,1,0,0|2,0,0]=4 18374 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210183 [0,1,0,1,0,0|2,0,0]=4 18375 B12R1.460 CCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210211 [0,1,0,1,0,0|2,0,0]=4 18376 B12R1.460 CCCCN(C)C1CCCC1=O 2230a_100000207549_100000211823 [0,1,0,1,0,0|2,0,0]=4 18377 B12R1.460 CCCCN(C)C1CCCC1=O 269982a_100000207549_100000211823 [0,1,0,1,0,0|2,0,0]=4 18378 B12R1.460 CCCCN(C)C1CCOC1=O 2230a_100000207549_100000211211 [0,1,0,1,0,0|1,0,0]=3 18379 B12R1.460 CCCCN(C)C1CCOC1=O 269982a_100000207549_100000211211 [0,1,0,1,0,0|1,0,0]=3 18380 B12R1.460 CCCNC(=O)C1CCCC1C 11a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 18381 B12R1.460 CCCNC(=O)C1CCCC1C 1626a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 18382 B12R1.460 CCCNC(=O)C1CCCC1C 240690a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 18383 B12R1.460 CCCNC(=O)C1CCCC1C 527a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 18384 B12R1.460 CCCNC(=O)N1CCC[C@@H]1C 2708a_100020643023_100020605311 [0,1,0,1,0,0|2,0,0]=4 18385 B12R1.460 CCCNC(=O)N1CCC[C@@H]1C 273464a_100020643023_100020605311 [0,1,0,1,0,0|2,0,0]=4 18386 B12R1.460 CCCNC(=O)N1CCC[C@H]1C 2708a_100020643023_100015189458 [0,1,0,1,0,0|2,0,0]=4 18387 B12R1.460 CCCNC(=O)N1CCC[C@H]1C 273464a_100020643023_100015189458 [0,1,0,1,0,0|2,0,0]=4 18388 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 11a_100020643023_100009816429 [0,1,0,1,0,0|2,0,0]=4 18389 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 240690a_100020643023_100009816429 [0,1,0,1,0,0|2,0,0]=4 18390 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 527a_100020643023_100009816429 [0,1,0,1,0,0|2,0,0]=4 18391 B12R1.460 CCNNC(=O)C1CCCC1C 22a_100000756455_100000690547 [0,1,0,1,0,0|1,0,0]=3 18392 B12R1.460 CCNNC(=O)[C@@H]1CCCN1C 22a_100000756455_100009816429 [0,1,0,1,0,0|2,0,0]=4 18393 B12R1.460 CCOCC(=O)C1CCCC1=O 1458a_100000211967_100000211823 [0,1,0,1,0,0|1,0,1]=4 18394 B12R1.460 CCOCC(=O)C1CCOC1=O 1458a_100000211967_100000211211 [0,1,0,1,0,0|1,0,1]=4 18395 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211967 [0,1,0,1,0,0|1,0,0]=3 18396 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211967 [0,1,0,1,0,0|1,0,0]=3 18397 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211967 [0,1,0,1,0,0|1,0,0]=3 18398 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211967 [0,1,0,1,0,0|1,0,0]=3 18399 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211967 [0,1,0,1,0,0|1,0,0]=3 18400 B12R1.460 CCOCC(=O)N1CCSC1C 11a_200011216479_100000211967 [0,1,0,1,0,0|2,0,0]=4 18401 B12R1.460 CCOCC(=O)N1CCSC1C 1626a_200011216479_100000211967 [0,1,0,1,0,0|2,0,0]=4 18402 B12R1.460 CCOCC(=O)N1CCSC1C 240690a_200011216479_100000211967 [0,1,0,1,0,0|2,0,0]=4 18403 B12R1.460 CCOCC(=O)N1CCSC1C 527a_200011216479_100000211967 [0,1,0,1,0,0|2,0,0]=4 18404 B12R1.460 CCSCC(=O)C1CCOC1=O 1458a_100000230394_100000211211 [0,1,0,1,0,0|1,0,1]=4 18405 B12R1.460 CCSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000230394 [0,1,0,1,0,0|1,1,0]=4 18406 B12R1.460 CCSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000230394 [0,1,0,1,0,0|1,1,0]=4 18407 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000230394 [0,1,0,1,0,0|1,1,0]=4 18408 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000230394 [0,1,0,1,0,0|1,1,0]=4 18409 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000230394 [0,1,0,1,0,0|1,1,0]=4 18410 B12R1.460 CN(CCCO)C1CCOC1=O 2230a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 18411 B12R1.460 CN(CCCO)C1CCOC1=O 269982a_100000213112_100000211211 [0,1,0,1,0,0|2,0,0]=4 18412 B12R1.460 CN1CCC[C@H]1C(=O)CCCF 1458a_100009816429_100011934791 [0,1,0,1,0,0|2,0,0]=4 18413 B12R1.460 CN1CCC[C@H]1C(=O)CCCO 1458a_100009816429_100011215043 [0,1,0,1,0,0|2,0,0]=4 18414 B12R1.460 CN1CCC[C@H]1C(=O)NCCF 11a_100000724931_100009816429 [0,1,0,1,0,0|2,0,0]=4 18415 B12R1.460 CN1CCC[C@H]1C(=O)NCCF 240690a_100000724931_100009816429 [0,1,0,1,0,0|2,0,0]=4 18416 B12R1.460 CN1CCC[C@H]1C(=O)NCCF 527a_100000724931_100009816429 [0,1,0,1,0,0|2,0,0]=4 18417 B12R1.460 CN1CCC[C@H]1C(=O)NCCO 240690a_100000210304_100009816429 [0,1,0,1,0,0|2,0,0]=4 18418 B12R1.460 CN1CCC[C@H]1C(=O)NCCO 527a_100000210304_100009816429 [0,1,0,1,0,0|2,0,0]=4 18419 B12R1.460 COCCC(=O)C1CCCC1C 1458a_100000690547_100000233755 [0,1,0,1,0,0|1,0,0]=3 18420 B12R1.460 COCCC(=O)C1CCOC1=O 1458a_100000749529_100000211211 [0,1,0,1,0,0|1,0,1]=4 18421 B12R1.460 COCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000749529 [0,1,0,1,0,0|2,0,0]=4 18422 B12R1.460 COCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000749529 [0,1,0,1,0,0|2,0,0]=4 18423 B12R1.460 COCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000749529 [0,1,0,1,0,0|2,0,0]=4 18424 B12R1.460 COCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000749529 [0,1,0,1,0,0|2,0,0]=4 18425 B12R1.460 COCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000749529 [0,1,0,1,0,0|2,0,0]=4 18426 B12R1.460 COCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000233755 [0,1,0,1,0,0|2,0,0]=4 18427 B12R1.460 COCCN(C)C1CCOC1=O 2230a_100000743101_100000211211 [0,1,0,1,0,0|2,0,0]=4 18428 B12R1.460 COCCN(C)C1CCOC1=O 269982a_100000743101_100000211211 [0,1,0,1,0,0|2,0,0]=4 18429 B12R1.460 CSCCC(=O)C1CCCC1C 1458a_100000690547_100000751147 [0,1,0,1,0,0|1,0,0]=3 18430 B12R1.460 CSCCC(=O)C1CCOC1=O 1458a_100000174002_100000211211 [0,1,0,1,0,0|1,0,1]=4 18431 B12R1.460 CSCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000174002 [0,1,0,1,0,0|2,0,0]=4 18432 B12R1.460 CSCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000174002 [0,1,0,1,0,0|2,0,0]=4 18433 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000174002 [0,1,0,1,0,0|2,0,0]=4 18434 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000174002 [0,1,0,1,0,0|2,0,0]=4 18435 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000174002 [0,1,0,1,0,0|2,0,0]=4 18436 B12R1.460 CSCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000751147 [0,1,0,1,0,0|2,0,0]=4 18437 B12R1.460 CSCCN(C)C1CCOC1=O 2230a_100000686725_100000211211 [0,1,0,1,0,0|2,0,0]=4 18438 B12R1.460 CSCCN(C)C1CCOC1=O 269982a_100000686725_100000211211 [0,1,0,1,0,0|2,0,0]=4 18439 B12R1.460 C[C@@H]1CCCN1C(=O)NCCF 273464a_100000724931_100015189458 [0,1,0,1,0,0|2,0,0]=4 18440 B12R1.460 C[C@@H]1CCCN1C(=O)NCCO 273464a_100000210304_100015189458 [0,1,0,1,0,0|2,0,0]=4 18441 B12R1.460 C[C@H]1CCCN1C(=O)NCCF 273464a_100000724931_100020605311 [0,1,0,1,0,0|2,0,0]=4 18442 B12R1.460 C[C@H]1CCCN1C(=O)NCCO 273464a_100000210304_100020605311 [0,1,0,1,0,0|2,0,0]=4 18443 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747444 [0,1,0,1,0,0|1,0,1]=4 18444 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000211992_100000686122 [0,1,0,1,0,0|1,0,1]=4 18445 B12R1.519 CCCC(=O)CN(C)C1CCC1 2230a_100000758072_100000747444 [0,1,0,1,0,0|2,0,0]=4 18446 B12R1.519 CCCC(=O)CN(C)C1CCC1 269982a_100000758072_100000747444 [0,1,0,1,0,0|2,0,0]=4 18447 B12R1.519 CCCC(=O)NC(C)C1CCC1 11a_100016994624_100000211992 [0,1,0,1,0,0|2,0,0]=4 18448 B12R1.519 CCCC(=O)NC(C)C1CCC1 1626a_100016994624_100000211992 [0,1,0,1,0,0|2,0,0]=4 18449 B12R1.519 CCCC(=O)NC(C)C1CCC1 240690a_100016994624_100000211992 [0,1,0,1,0,0|2,0,0]=4 18450 B12R1.519 CCCC(=O)NC(C)C1CCC1 527a_100016994624_100000211992 [0,1,0,1,0,0|2,0,0]=4 18451 B12R1.519 CCNC(=O)CC(=O)C1CCC1 1458a_100000209988_100000183381 [0,1,0,1,0,0|1,0,1]=4 18452 B12R1.519 CCNC(=O)CN(C)C1CCC1 2230a_100000758072_100000183381 [0,1,0,1,0,0|2,0,0]=4 18453 B12R1.519 CCNC(=O)CN(C)C1CCC1 269982a_100000741943_100000749161 [0,1,0,1,0,0|2,0,0]=4 18454 B12R1.519 CCNC(=O)CN(C)C1CCC1 269982a_100000758072_100000183381 [0,1,0,1,0,0|2,0,0]=4 18455 B12R1.519 CCNC(=O)CN(C)C1CCC1 270004a_100000741943_100000241760 [0,1,0,1,0,0|2,0,0]=4 18456 B12R1.519 CCNC(=O)CN(C)C1CCC1 34a_100000758072_100000183381 [0,1,0,1,0,0|2,0,0]=4 18457 B12R1.519 CCNC(=O)NC(C)C1CCC1 2708a_100015525214_100016994624 [0,1,0,1,0,0|2,0,0]=4 18458 B12R1.519 CCNC(=O)NC(C)C1CCC1 2708a_100016994624_100015525214 [0,1,0,1,0,0|2,0,0]=4 18459 B12R1.519 CCNC(=O)NC(C)C1CCC1 273464a_100015525214_100016994624 [0,1,0,1,0,0|2,0,0]=4 18460 B12R1.519 CCNC(=O)NC(C)C1CCC1 273464a_100016994624_100015525214 [0,1,0,1,0,0|2,0,0]=4 18461 B12R1.519 CCNC(=O)NC(C)C1CCC1 512a_100015525214_100016994624 [0,1,0,1,0,0|2,0,0]=4 18462 B12R1.519 CCNC(=O)NC(C)C1CCC1 512a_100016994624_100015525214 [0,1,0,1,0,0|2,0,0]=4 18463 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000209988_100000188475 [0,1,0,1,0,0|0,0,1]=3 18464 B12R1.519 CCOC(=O)CC(=O)C1CCC1 1458a_100000243816_100000749161 [0,1,0,1,0,0|0,0,1]=3 18465 B12R1.519 CCOC(=O)CC(=O)C1CCO1 1458a_100000089072_100000188475 [0,1,0,1,0,0|1,0,1]=4 18466 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000243816_100000687716 [0,1,0,1,0,0|1,0,1]=4 18467 B12R1.519 CCOC(=O)CC(=O)C1COC1 1458a_100000758290_100000188475 [0,1,0,1,0,0|1,0,1]=4 18468 B12R1.519 CCOC(=O)CC(=O)N1CCC1 240690a_100000754969_100000243816 [0,1,0,1,0,0|1,0,1]=4 18469 B12R1.519 CCOC(=O)CC(C)N1CCC1 269982a_100000754969_100009817359 [0,1,0,1,0,0|1,0,0]=3 18470 B12R1.519 CCOC(=O)CN(C)C1CCC1 2230a_100000758072_100000188475 [0,1,0,1,0,0|1,0,0]=3 18471 B12R1.519 CCOC(=O)CN(C)C1CCC1 269982a_100000758072_100000188475 [0,1,0,1,0,0|1,0,0]=3 18472 B12R1.519 CCOC(=O)CN(C)C1CCC1 270004a_100000220588_100000241760 [0,1,0,1,0,0|1,0,0]=3 18473 B12R1.519 CCOC(=O)CN(C)C1CCC1 34a_100000758072_100000188475 [0,1,0,1,0,0|1,0,0]=3 18474 B12R1.519 CCOC(=O)CN(C)C1COC1 2230a_100102693430_100000188475 [0,1,0,1,0,0|2,0,0]=4 18475 B12R1.519 CCOC(=O)CN(C)C1COC1 269982a_100102693430_100000188475 [0,1,0,1,0,0|2,0,0]=4 18476 B12R1.519 CCOC(=O)OC(C)N1CCC1 269982a_100000754969_100000036008 [0,1,0,1,0,0|2,0,0]=4 18477 B12R1.521 CCCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747444 [0,1,0,1,0,0|1,0,1]=4 18478 B12R1.521 CCCC(=O)CN(C)CC1CC1 2230a_100000741881_100000747444 [0,1,0,1,0,0|2,0,0]=4 18479 B12R1.521 CCCC(=O)CN(C)CC1CC1 269982a_100000741881_100000747444 [0,1,0,1,0,0|2,0,0]=4 18480 B12R1.521 CCCC(=O)CS(=O)CC1CC1 1458a_100011387478_100000210303 [0,1,0,1,0,0|2,0,0]=4 18481 B12R1.521 CCNC(=O)CC(=O)CC1CC1 1458a_100000738066_100000183381 [0,1,0,1,0,0|1,0,1]=4 18482 B12R1.521 CCNC(=O)CN(C)CC1CC1 2230a_100000741881_100000183381 [0,1,0,1,0,0|2,0,0]=4 18483 B12R1.521 CCNC(=O)CN(C)CC1CC1 2230a_100000741943_100000742324 [0,1,0,1,0,0|2,0,0]=4 18484 B12R1.521 CCNC(=O)CN(C)CC1CC1 269982a_100000741881_100000183381 [0,1,0,1,0,0|2,0,0]=4 18485 B12R1.521 CCNC(=O)CN(C)CC1CC1 269982a_100000741943_100000756562 [0,1,0,1,0,0|2,0,0]=4 18486 B12R1.521 CCNC(=O)CS(=O)CC1CC1 11a_100015525214_100011387478 [0,1,0,1,0,0|2,0,0]=4 18487 B12R1.521 CCNC(=O)CS(=O)CC1CC1 240690a_100015525214_100011387478 [0,1,0,1,0,0|2,0,0]=4 18488 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000243816_100000742324 [0,1,0,1,0,0|0,0,1]=3 18489 B12R1.521 CCOC(=O)CC(=O)CC1CC1 1458a_100000738066_100000188475 [0,1,0,1,0,0|0,0,1]=3 18490 B12R1.521 CCOC(=O)CC(=O)CC1CO1 1458a_100000243816_100011216344 [0,1,0,1,0,0|1,0,1]=4 18491 B12R1.521 CCOC(=O)CC(=O)CC1CS1 1458a_100000243816_100000031435 [0,1,0,1,0,0|1,0,1]=4 18492 B12R1.521 CCOC(=O)CC(=O)C[C@@H]1CO1 1458a_100000243816_100000745022 [0,1,0,1,0,0|1,0,1]=4 18493 B12R1.521 CCOC(=O)CC(=O)NC1CC1 240690a_100000212008_100000243816 [0,1,0,1,0,0|1,0,1]=4 18494 B12R1.521 CCOC(=O)CC(C)SC1CC1 62a_100009817359_100000211595 [0,1,0,1,0,0|1,0,0]=3 18495 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000220588_100000742324 [0,1,0,1,0,0|1,0,0]=3 18496 B12R1.521 CCOC(=O)CN(C)CC1CC1 2230a_100000741881_100000188475 [0,1,0,1,0,0|1,0,0]=3 18497 B12R1.521 CCOC(=O)CN(C)CC1CC1 269982a_100000741881_100000188475 [0,1,0,1,0,0|1,0,0]=3 18498 B12R1.521 CCOC(=O)CN(C)CC1CO1 2230a_100000220588_100011216344 [0,1,0,1,0,0|2,0,0]=4 18499 B12R1.521 CCOC(=O)OC(C)SC1CC1 62a_100000036008_100000211595 [0,1,0,1,0,0|2,0,0]=4 18500 B12R1.841 CCCCC(=O)CC(=O)C1CC1 1458a_100000210183_100000746382 [0,1,0,1,0,0|1,0,1]=4 18501 B12R1.841 CCCCC(C)NC(=O)C1CC1 11a_100000126638_100000210395 [0,1,0,1,0,0|2,0,0]=4 18502 B12R1.841 CCCCC(C)NC(=O)C1CC1 1626a_100000126638_100000210395 [0,1,0,1,0,0|2,0,0]=4 18503 B12R1.841 CCCCC(C)NC(=O)C1CC1 240690a_100000126638_100000210395 [0,1,0,1,0,0|2,0,0]=4 18504 B12R1.841 CCCCC(C)NC(=O)C1CC1 527a_100000126638_100000210395 [0,1,0,1,0,0|2,0,0]=4 18505 B12R1.841 CCCCN(C)CC(=O)C1CC1 2230a_100000207549_100000746382 [0,1,0,1,0,0|2,0,0]=4 18506 B12R1.841 CCCCN(C)CC(=O)C1CC1 269982a_100000207549_100000746382 [0,1,0,1,0,0|2,0,0]=4 18507 B12R1.1589 CCCC(=O)N1C(CCC1C)C 11a_100000687148_100000211992 [0,1,0,1,0,0|2,0,0]=4 18508 B12R1.1589 CCCC(=O)N1C(CCC1C)C 240690a_100000687148_100000211992 [0,1,0,1,0,0|2,0,0]=4 18509 B12R1.1589 CCCC(=O)N1C(CCC1C)C 527a_100000687148_100000211992 [0,1,0,1,0,0|2,0,0]=4 18510 B12R1.1589 CCNC(=O)N1C(CCC1C)C 2708a_100015525214_100000687148 [0,1,0,1,0,0|2,0,0]=4 18511 B12R1.1589 CCNC(=O)N1C(CCC1C)C 273464a_100015525214_100000687148 [0,1,0,1,0,0|2,0,0]=4 18512 B12R1.1621 CCCC(=O)CN1CC(C1)CC 2230a_100015205115_100000747444 [0,1,0,1,0,0|2,0,0]=4 18513 B12R1.1621 CCCC(=O)CN1CC(C1)CC 269982a_100015205115_100000747444 [0,1,0,1,0,0|2,0,0]=4 18514 B12R1.1621 CCNC(=O)CN1CC(C1)CC 2230a_100015205115_100000183381 [0,1,0,1,0,0|2,0,0]=4 18515 B12R1.1621 CCNC(=O)CN1CC(C1)CC 269982a_100015205115_100000183381 [0,1,0,1,0,0|2,0,0]=4 18516 B12R1.1621 CCOC(=O)CC1CC(C1)OC 7a_100010742785_200000210301 [0,1,0,1,0,0|1,0,0]=3 18517 B12R1.1621 CCOC(=O)CC1CC(C1)O[13CH3] 7a_100010742785_200025704644 [0,1,0,1,0,0|1,0,0]=3 18518 B12R1.1621 CCOC(=O)CN1CC(C1)CC 2230a_100015205115_100000188475 [0,1,0,1,0,0|1,0,0]=3 18519 B12R1.1621 CCOC(=O)CN1CC(C1)CC 269982a_100015205115_100000188475 [0,1,0,1,0,0|1,0,0]=3 18520 B12R1.1621 CCOC(=O)CN1CC(C1)CF 269982a_100010363649_100000188475 [0,1,0,1,0,0|2,0,0]=4 18521 B12R1.1621 CCOC(=O)CN1CC(C1)CF 34a_100010363649_100000188475 [0,1,0,1,0,0|2,0,0]=4 18522 B12R1.1621 CCOC(=O)CN1CC(C1)CO 269982a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 18523 B12R1.1621 CCOC(=O)CN1CC(C1)CO 34a_100016987283_100000188475 [0,1,0,1,0,0|2,0,0]=4 18524 B12R1.1621 CCOC(=O)CN1CC(C1)OC 269982a_100000755009_100000188475 [0,1,0,1,0,0|2,0,0]=4 18525 B12R1.1621 CCOC(=O)CN1CC(C1)SC 269982a_100016990038_100000188475 [0,1,0,1,0,0|2,0,0]=4 18526 B12R1.3418 CCCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747444 [0,1,0,1,0,0|1,0,1]=4 18527 B12R1.3418 CCNC(=O)CC(=O)C1CC1C 1458a_100000211227_100000183381 [0,1,0,1,0,0|1,0,1]=4 18528 B12R1.3418 CCOC(=O)CC(=O)C1CC1C 1458a_100000211227_100000188475 [0,1,0,1,0,0|0,0,1]=3 18529 B12R1.3418 CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000188475 [0,1,0,1,0,0|1,0,1]=4 18530 B12R1.17 CC(CCO)N1CCOC(=O)C1 2230a_100000131268_100009893172 [0,1,0,1,0,0|2,0,0]=4 18531 B12R1.17 CC1CCCC(C1)C(=O)CCF 1458a_100011215569_100011217306 [0,1,0,1,0,0|2,0,0]=4 18532 B12R1.17 CC1CCCC(C1)C(=O)CCO 1458a_100011215569_100000211926 [0,1,0,1,0,0|2,0,0]=4 18533 B12R1.17 CCCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210303 [0,1,0,1,0,0|1,0,0]=3 18534 B12R1.17 CCCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210303 [0,1,0,1,0,0|1,0,0]=3 18535 B12R1.17 CCCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210303 [0,1,0,1,0,0|2,0,0]=4 18536 B12R1.17 CCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210303 [0,1,0,1,0,0|1,0,1]=4 18537 B12R1.17 CCCC(=O)N1CCCC(C1)F 11a_100000697950_100000211992 [0,1,0,1,0,0|2,0,0]=4 18538 B12R1.17 CCCC(=O)N1CCCC(C1)F 1626a_100000697950_100000211992 [0,1,0,1,0,0|2,0,0]=4 18539 B12R1.17 CCCC(=O)N1CCCC(C1)F 240690a_100000697950_100000211992 [0,1,0,1,0,0|2,0,0]=4 18540 B12R1.17 CCCC(=O)N1CCCC(C1)F 527a_100000697950_100000211992 [0,1,0,1,0,0|2,0,0]=4 18541 B12R1.17 CCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000211992 [0,1,0,1,0,0|2,0,0]=4 18542 B12R1.17 CCCC(=O)N1CCCC(C1)O 527a_100000211013_100000211992 [0,1,0,1,0,0|2,0,0]=4 18543 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000211992 [0,1,0,1,0,0|2,0,0]=4 18544 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000211992 [0,1,0,1,0,0|2,0,0]=4 18545 B12R1.17 CCCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000211992 [0,1,0,1,0,0|2,0,0]=4 18546 B12R1.17 CCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000211992 [0,1,0,1,0,0|1,0,1]=4 18547 B12R1.17 CCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000211992 [0,1,0,1,0,0|1,0,1]=4 18548 B12R1.17 CCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000211992 [0,1,0,1,0,0|1,0,1]=4 18549 B12R1.17 CCCC(C)N1CCNC(=O)C1 2230a_100000184651_100000766640 [0,1,0,1,0,0|2,0,0]=4 18550 B12R1.17 CCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000211909 [0,1,0,1,0,0|2,0,0]=4 18551 B12R1.17 CCCC(C)N1CCOC(=O)C1 2230a_100000131268_100000766640 [0,1,0,1,0,0|1,0,0]=3 18552 B12R1.17 CCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000211909 [0,1,0,1,0,0|1,0,0]=3 18553 B12R1.17 CCNC(=O)C1CCCC(C1)C 11a_100015525214_100011215569 [0,1,0,1,0,0|1,0,0]=3 18554 B12R1.17 CCNC(=O)C1CCCC(C1)C 240690a_100015525214_100011215569 [0,1,0,1,0,0|1,0,0]=3 18555 B12R1.17 CCNC(=O)C1CCCC(C1)C 527a_100015525214_100011215569 [0,1,0,1,0,0|1,0,0]=3 18556 B12R1.17 CCNC(=O)C1CCCC(C1)O 240690a_100015525214_100000707227 [0,1,0,1,0,0|1,0,0]=3 18557 B12R1.17 CCNC(=O)C1CCCN(C1)C 11a_100015525214_100015257587 [0,1,0,1,0,0|2,0,0]=4 18558 B12R1.17 CCNC(=O)C1CCCN(C1)C 240690a_100015525214_100015257587 [0,1,0,1,0,0|2,0,0]=4 18559 B12R1.17 CCNC(=O)N1CCCC(C1)F 2708a_100015525214_100000697950 [0,1,0,1,0,0|2,0,0]=4 18560 B12R1.17 CCNC(=O)N1CCCC(C1)F 273464a_100015525214_100000697950 [0,1,0,1,0,0|2,0,0]=4 18561 B12R1.17 CCNC(=O)N1CCCC(C1)O 2708a_100015525214_100000211013 [0,1,0,1,0,0|2,0,0]=4 18562 B12R1.17 CCNC(=O)N1CCCC(C1)O 273464a_100015525214_100000211013 [0,1,0,1,0,0|2,0,0]=4 18563 B12R1.17 CCNC(=O)N1CCC[C@@H](C1)C 2708a_100015525214_100000717927 [0,1,0,1,0,0|2,0,0]=4 18564 B12R1.17 CCNC(=O)N1CCC[C@@H](C1)C 273464a_100015525214_100000717927 [0,1,0,1,0,0|2,0,0]=4 18565 B12R1.17 CCOC(=O)C1CN(CCO1)C 2230a_100016995033_200000210301 [0,1,0,1,0,0|2,0,0]=4 18566 B12R1.17 CCOC(=O)C1CN(CCO1)C 269982a_100016995033_200000210301 [0,1,0,1,0,0|2,0,0]=4 18567 B12R1.17 CCOC(=O)C1CN(CCO1)[13CH3] 2230a_100016995033_200025704644 [0,1,0,1,0,0|2,0,0]=4 18568 B12R1.17 CCOC(=O)C1CN(CCO1)[13CH3] 269982a_100016995033_200025704644 [0,1,0,1,0,0|2,0,0]=4 18569 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 2230a_100000759086_200000210301 [0,1,0,1,0,0|1,0,0]=3 18570 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C 269982a_100000759086_200000210301 [0,1,0,1,0,0|1,0,0]=3 18571 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100000759086_200025704644 [0,1,0,1,0,0|1,0,0]=3 18572 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100000759086_200025704644 [0,1,0,1,0,0|1,0,0]=3 18573 B12R1.17 CNNC(=O)C1CCCC(C1)C 22a_100016993582_100011215569 [0,1,0,1,0,0|2,0,0]=4 18574 B12R1.17 CNNC(=O)C1CCCC(C1)O 22a_100016993582_100000707227 [0,1,0,1,0,0|2,0,0]=4 18575 B12R1.17 COCC(C)N1CCOC(=O)C1 2230a_100000131268_100000765312 [0,1,0,1,0,0|2,0,0]=4 18576 B12R1.17 COCC(C)N1CCOC(=O)C1 270004a_100000131268_100000749346 [0,1,0,1,0,0|2,0,0]=4 18577 B12R1.17 CSCC(C)N1CCOC(=O)C1 270004a_100000131268_100011216314 [0,1,0,1,0,0|2,0,0]=4 18578 B12R1.17 O=C(CCF)C1CCCC(C1)O 1458a_100000707227_100011217306 [0,1,0,1,0,0|2,0,0]=4 18579 B12R1.17 O=C(CCO)C1CCCC(C1)O 1458a_100000707227_100000211926 [0,1,0,1,0,0|2,0,0]=4 18580 B12R1.116 CCCC1CCC(CC1)OCC 34a_100011218949_100000210202 [0,1,0,1,0,0|1,0,1]=4 18581 B12R1.116 CCCC1CCC(CC1)OCC 7a_100011218949_100000210202 [0,1,0,1,0,0|1,0,1]=4 18582 B12R1.178 CCCC(=O)C1CC(C1)COC 1458a_100000138301_100000210303 [0,1,0,1,0,0|2,0,0]=4 18583 B12R1.178 CCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210303 [0,1,0,1,0,0|1,0,0]=3 18584 B12R1.178 CCNC(=O)C1CC(C1)COC 11a_100015525214_100000138301 [0,1,0,1,0,0|2,0,0]=4 18585 B12R1.178 CCNC(=O)C1CC(C1)COC 240690a_100015525214_100000138301 [0,1,0,1,0,0|2,0,0]=4 18586 B12R1.178 CCNC(=O)C1CC(C1)COC 527a_100015525214_100000138301 [0,1,0,1,0,0|2,0,0]=4 18587 B12R1.178 CCOC(=O)C1CC(C1)OCC 7a_100000093532_100000210202 [0,1,0,1,0,0|1,0,0]=3 18588 B12R1.178 CCOC(=O)C1CC(C1)OCF 7a_100000093532_100015361967 [0,1,0,1,0,0|2,0,0]=4 18589 B12R1.178 CCOC(=O)C1CN(C1)CCF 269982a_100015188541_100011217306 [0,1,0,1,0,0|2,0,0]=4 18590 B12R1.178 CCOC(=O)C1CN(C1)CCO 269982a_100015188541_100000211926 [0,1,0,1,0,0|2,0,0]=4 18591 B12R1.178 CCOC(=O)C1CN(C1)COC 269982a_100015188541_100000766300 [0,1,0,1,0,0|2,0,0]=4 18592 B12R1.178 CCOC(=O)C1CN(C1)CSC 269982a_100015188541_100011218213 [0,1,0,1,0,0|2,0,0]=4 18593 B12R1.313 CCCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000210303 [0,1,0,1,0,0|2,0,0]=4 18594 B12R1.313 CCNC(=O)[C@@H]1C[C@H](CN1C)O 240690a_100015525214_100015191551 [0,1,0,1,0,0|2,0,0]=4 18595 B12R1.313 CCOC(=O)[C@@H]1C[C@H](CN1C)O 2230a_100020626377_200000210301 [0,1,0,1,0,0|1,0,0]=3 18596 B12R1.313 CCOC(=O)[C@@H]1C[C@H](CN1C)O 269982a_100020626377_200000210301 [0,1,0,1,0,0|1,0,0]=3 18597 B12R1.313 CCOC(=O)[C@@H]1C[C@H](CN1[13CH3])O 2230a_100020626377_200025704644 [0,1,0,1,0,0|1,0,0]=3 18598 B12R1.313 CCOC(=O)[C@@H]1C[C@H](CN1[13CH3])O 269982a_100020626377_200025704644 [0,1,0,1,0,0|1,0,0]=3 18599 B12R1.467 C=C1CC(C1)NCC(=O)OCC 2230a_100132301982_100000188475 [0,1,0,1,0,0|1,0,1]=4 18600 B12R1.467 CCCC(=O)CNC1CC(C1)F 2230a_100016993743_100000747444 [0,1,0,1,0,0|2,0,0]=4 18601 B12R1.467 CCCC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747444 [0,1,0,1,0,0|2,0,0]=4 18602 B12R1.467 CCCC(=O)NCC1CC(C1)O 11a_100016992100_100000211992 [0,1,0,1,0,0|2,0,0]=4 18603 B12R1.467 CCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000211992 [0,1,0,1,0,0|2,0,0]=4 18604 B12R1.467 CCNC(=O)CCN1CC(C1)C 2230a_100000702820_100000737597 [0,1,0,1,0,0|2,0,0]=4 18605 B12R1.467 CCNC(=O)CCN1CC(C1)C 269982a_100000702820_100000737597 [0,1,0,1,0,0|2,0,0]=4 18606 B12R1.467 CCNC(=O)CCN1CC(C1)F 2230a_100000690557_100000737597 [0,1,0,1,0,0|2,0,0]=4 18607 B12R1.467 CCNC(=O)CCN1CC(C1)F 269982a_100000690557_100000737597 [0,1,0,1,0,0|2,0,0]=4 18608 B12R1.467 CCNC(=O)CCN1CC(C1)O 269982a_100000749847_100000737597 [0,1,0,1,0,0|2,0,0]=4 18609 B12R1.467 CCNC(=O)CNC1CC(C1)F 2230a_100016993743_100000183381 [0,1,0,1,0,0|2,0,0]=4 18610 B12R1.467 CCNC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000183381 [0,1,0,1,0,0|2,0,0]=4 18611 B12R1.467 CCNC(=O)NCC1CC(C1)O 2708a_100015525214_100016992100 [0,1,0,1,0,0|2,0,0]=4 18612 B12R1.467 CCNC(=O)NCC1CC(C1)O 2708a_100016992100_100015525214 [0,1,0,1,0,0|2,0,0]=4 18613 B12R1.467 CCNC(=O)NCC1CC(C1)O 273464a_100015525214_100016992100 [0,1,0,1,0,0|2,0,0]=4 18614 B12R1.467 CCNC(=O)NCC1CC(C1)O 273464a_100016992100_100015525214 [0,1,0,1,0,0|2,0,0]=4 18615 B12R1.467 CCNC(=O)NCC1CC(C1)O 512a_100015525214_100016992100 [0,1,0,1,0,0|2,0,0]=4 18616 B12R1.467 CCNC(=O)NCC1CC(C1)O 512a_100016992100_100015525214 [0,1,0,1,0,0|2,0,0]=4 18617 B12R1.467 CCOC(=O)CCN1CC(C1)C 2230a_100000702820_100011206558 [0,1,0,1,0,0|1,0,0]=3 18618 B12R1.467 CCOC(=O)CCN1CC(C1)C 269982a_100000702820_100011206558 [0,1,0,1,0,0|1,0,0]=3 18619 B12R1.467 CCOC(=O)CCN1CC(C1)C 34a_100000702820_100000765890 [0,1,0,1,0,0|1,0,0]=3 18620 B12R1.467 CCOC(=O)CCN1CC(C1)F 2230a_100000690557_100011206558 [0,1,0,1,0,0|1,0,0]=3 18621 B12R1.467 CCOC(=O)CCN1CC(C1)F 269982a_100000690557_100011206558 [0,1,0,1,0,0|1,0,0]=3 18622 B12R1.467 CCOC(=O)CCN1CC(C1)F 34a_100000690557_100000765890 [0,1,0,1,0,0|1,0,0]=3 18623 B12R1.467 CCOC(=O)CCN1CC(C1)O 269982a_100000749847_100011206558 [0,1,0,1,0,0|1,0,0]=3 18624 B12R1.467 CCOC(=O)CNC1CC(C1)F 2230a_100016993743_100000188475 [0,1,0,1,0,0|1,0,0]=3 18625 B12R1.467 CCOC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000188475 [0,1,0,1,0,0|1,0,0]=3 18626 B12R1.467 CCOC(=O)CSC1CC(=O)C1 62a_100009894365_100000188475 [0,1,0,1,0,0|1,0,1]=4 18627 B12R1.686 CCCC(=O)CNC(C)C1CC1 2230a_100000700016_100000747444 [0,1,0,1,0,0|2,0,0]=4 18628 B12R1.686 CCCC(=O)COC(C)C1CC1 1458a_200000137917_100000210303 [0,1,0,1,0,0|2,0,0]=4 18629 B12R1.686 CCCC(=O)COC(C)C1CC1 7a_100000744524_100000747444 [0,1,0,1,0,0|2,0,0]=4 18630 B12R1.686 CCCC(=O)NCC(O)C1CC1 11a_100000751198_100000211992 [0,1,0,1,0,0|2,0,0]=4 18631 B12R1.686 CCCC(=O)NCC(O)C1CC1 240690a_100000751198_100000211992 [0,1,0,1,0,0|2,0,0]=4 18632 B12R1.686 CCCC(=O)NCC(O)C1CC1 527a_100000751198_100000211992 [0,1,0,1,0,0|2,0,0]=4 18633 B12R1.686 CCCC(C)NCC(=O)C1CC1 2230a_100000741246_100000746382 [0,1,0,1,0,0|2,0,0]=4 18634 B12R1.686 CCCC(C)OCC(=O)C1CC1 34a_100000686663_100000766640 [0,1,0,1,0,0|2,0,0]=4 18635 B12R1.686 CCCC(C)OCC(=O)C1CC1 34a_100000764384_100000746382 [0,1,0,1,0,0|2,0,0]=4 18636 B12R1.686 CCCC(C)OCC(=O)C1CC1 7a_100000764384_100000746382 [0,1,0,1,0,0|2,0,0]=4 18637 B12R1.686 CCCC(C)SCC(=O)C1CC1 62a_100000746382_100000766640 [0,1,0,1,0,0|2,0,0]=4 18638 B12R1.686 CCCC(C)SCC(=O)C1CC1 62a_100000766640_100000746382 [0,1,0,1,0,0|2,0,0]=4 18639 B12R1.686 CCNC(=O)CCN(C)C1CC1 2230a_100000226674_100000737597 [0,1,0,1,0,0|2,0,0]=4 18640 B12R1.686 CCNC(=O)CCN(C)C1CC1 269982a_100000226674_100000737597 [0,1,0,1,0,0|2,0,0]=4 18641 B12R1.686 CCNC(=O)CNC(C)C1CC1 2230a_100000700016_100000183381 [0,1,0,1,0,0|2,0,0]=4 18642 B12R1.686 CCNC(=O)CNC(C)C1CC1 34a_100000700016_100000183381 [0,1,0,1,0,0|2,0,0]=4 18643 B12R1.686 CCNC(=O)COC(C)C1CC1 11a_100015525214_200000137917 [0,1,0,1,0,0|2,0,0]=4 18644 B12R1.686 CCNC(=O)COC(C)C1CC1 240690a_100015525214_200000137917 [0,1,0,1,0,0|2,0,0]=4 18645 B12R1.686 CCNC(=O)COC(C)C1CC1 34a_100000744524_100000183381 [0,1,0,1,0,0|2,0,0]=4 18646 B12R1.686 CCNC(=O)COC(C)C1CC1 527a_100015525214_200000137917 [0,1,0,1,0,0|2,0,0]=4 18647 B12R1.686 CCNC(=O)COC(C)C1CC1 7a_100000744524_100000183381 [0,1,0,1,0,0|2,0,0]=4 18648 B12R1.686 CCNC(=O)NCC(O)C1CC1 2708a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 18649 B12R1.686 CCNC(=O)NCC(O)C1CC1 273464a_100000751198_100015525214 [0,1,0,1,0,0|2,0,0]=4 18650 B12R1.686 CCNC(=O)NCC(O)C1CC1 273464a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 18651 B12R1.686 CCNC(=O)NCC(O)C1CC1 512a_100015525214_100000751198 [0,1,0,1,0,0|2,0,0]=4 18652 B12R1.686 CCOC(=O)CCN(C)C1CC1 2230a_100000226674_100011206558 [0,1,0,1,0,0|1,0,0]=3 18653 B12R1.686 CCOC(=O)CCN(C)C1CC1 269982a_100000226674_100011206558 [0,1,0,1,0,0|1,0,0]=3 18654 B12R1.686 CCOC(=O)CCN(C)C1CC1 269982a_100000745921_100000211595 [0,1,0,1,0,0|1,0,0]=3 18655 B12R1.686 CCOC(=O)CNC(=O)C1CC1 188690a_100000741813_100000210395 [0,1,0,1,0,0|1,0,1]=4 18656 B12R1.686 CCOC(=O)CNC(C)C1CC1 2230a_100000700016_100000188475 [0,1,0,1,0,0|1,0,0]=3 18657 B12R1.686 CCOC(=O)CNC(C)C1CC1 34a_100000700016_100000188475 [0,1,0,1,0,0|1,0,0]=3 18658 B12R1.686 CCOC(=O)COC(C)C1CC1 34a_100000744524_100000188475 [0,1,0,1,0,0|1,0,0]=3 18659 B12R1.686 CCOC(=O)COC(C)C1CC1 7a_100000744524_100000188475 [0,1,0,1,0,0|1,0,0]=3 18660 B12R1.1573 CCCC(=O)CNC1(CCC1)C 2230a_100000692455_100000747444 [0,1,0,1,0,0|2,0,0]=4 18661 B12R1.1573 CCCC(=O)COC1(CCC1)C 7a_100000759064_100000747444 [0,1,0,1,0,0|2,0,0]=4 18662 B12R1.1573 CCCC(=O)NCC1(CCC1)C 11a_100000706607_100000211992 [0,1,0,1,0,0|2,0,0]=4 18663 B12R1.1573 CCCC(=O)NCC1(CCC1)C 1626a_100000706607_100000211992 [0,1,0,1,0,0|2,0,0]=4 18664 B12R1.1573 CCCC(=O)NCC1(CCC1)C 240690a_100000706607_100000211992 [0,1,0,1,0,0|2,0,0]=4 18665 B12R1.1573 CCCC(=O)NCC1(CCC1)C 527a_100000706607_100000211992 [0,1,0,1,0,0|2,0,0]=4 18666 B12R1.1573 CCCC(=O)NCC1(CCC1)O 11a_100000752638_100000211992 [0,1,0,1,0,0|2,0,0]=4 18667 B12R1.1573 CCCC(=O)NCC1(CCC1)O 1626a_100000752638_100000211992 [0,1,0,1,0,0|2,0,0]=4 18668 B12R1.1573 CCCC(=O)NCC1(CCC1)O 240690a_100000752638_100000211992 [0,1,0,1,0,0|2,0,0]=4 18669 B12R1.1573 CCCC(=O)NCC1(CCC1)O 527a_100000752638_100000211992 [0,1,0,1,0,0|2,0,0]=4 18670 B12R1.1573 CCNC(=O)CNC1(CCC1)C 2230a_100000692455_100000183381 [0,1,0,1,0,0|2,0,0]=4 18671 B12R1.1573 CCNC(=O)CNC1(CCC1)C 34a_100000692455_100000183381 [0,1,0,1,0,0|2,0,0]=4 18672 B12R1.1573 CCNC(=O)COC1(CCC1)C 34a_100000759064_100000183381 [0,1,0,1,0,0|2,0,0]=4 18673 B12R1.1573 CCNC(=O)COC1(CCC1)C 7a_100000759064_100000183381 [0,1,0,1,0,0|2,0,0]=4 18674 B12R1.1573 CCNC(=O)NCC1(CCC1)C 2708a_100000706607_100015525214 [0,1,0,1,0,0|2,0,0]=4 18675 B12R1.1573 CCNC(=O)NCC1(CCC1)C 2708a_100015525214_100000706607 [0,1,0,1,0,0|2,0,0]=4 18676 B12R1.1573 CCNC(=O)NCC1(CCC1)C 273464a_100000706607_100015525214 [0,1,0,1,0,0|2,0,0]=4 18677 B12R1.1573 CCNC(=O)NCC1(CCC1)C 273464a_100015525214_100000706607 [0,1,0,1,0,0|2,0,0]=4 18678 B12R1.1573 CCNC(=O)NCC1(CCC1)C 512a_100000706607_100015525214 [0,1,0,1,0,0|2,0,0]=4 18679 B12R1.1573 CCNC(=O)NCC1(CCC1)C 512a_100015525214_100000706607 [0,1,0,1,0,0|2,0,0]=4 18680 B12R1.1573 CCNC(=O)NCC1(CCC1)O 2708a_100000752638_100015525214 [0,1,0,1,0,0|2,0,0]=4 18681 B12R1.1573 CCNC(=O)NCC1(CCC1)O 2708a_100015525214_100000752638 [0,1,0,1,0,0|2,0,0]=4 18682 B12R1.1573 CCNC(=O)NCC1(CCC1)O 273464a_100015525214_100000752638 [0,1,0,1,0,0|2,0,0]=4 18683 B12R1.1573 CCNC(=O)NCC1(CCC1)O 512a_100000752638_100015525214 [0,1,0,1,0,0|2,0,0]=4 18684 B12R1.1573 CCNC(=O)NCC1(CCC1)O 512a_100015525214_100000752638 [0,1,0,1,0,0|2,0,0]=4 18685 B12R1.1573 CCOC(=O)CNC1(CCC1)C 2230a_100000692455_100000188475 [0,1,0,1,0,0|1,0,0]=3 18686 B12R1.1573 CCOC(=O)CNC1(CCC1)C 34a_100000692455_100000188475 [0,1,0,1,0,0|1,0,0]=3 18687 B12R1.1573 CCOC(=O)CNC1(COC1)C 2230a_100000732644_100000188475 [0,1,0,1,0,0|2,0,0]=4 18688 B12R1.1573 CCOC(=O)COC1(CCC1)C 34a_100000759064_100000188475 [0,1,0,1,0,0|1,0,0]=3 18689 B12R1.1573 CCOC(=O)COC1(CCC1)C 7a_100000759064_100000188475 [0,1,0,1,0,0|1,0,0]=3 18690 B12R1.1573 CCOC(=O)COC1(CSC1)C 7a_100016018533_100000188475 [0,1,0,1,0,0|2,0,0]=4 18691 B12R1.8 CCCCCCN1CCCOC1 2230a_100000131196_100000210314 [0,1,0,1,0,0|2,0,0]=4 18692 B12R1.8 CCCCCCN1CCCOC1 269982a_100000131196_100000210757 [0,1,0,1,0,0|2,0,0]=4 18693 B12R1.8 CCCCCCN1CCCOC1 34a_100000131196_100000210314 [0,1,0,1,0,0|2,0,0]=4 18694 B12R1.30 C#CCCC(=O)C1CCCCC1 1458a_100000210647_100000753159 [0,1,0,1,0,0|1,0,1]=4 18695 B12R1.30 C#CCCC(=O)C1CCCCC1 1458a_100000692101_100000210327 [0,1,0,1,0,0|1,0,1]=4 18696 B12R1.30 C#CCNC(=O)C1CCCCC1 11a_100000212058_100000210647 [0,1,0,1,0,0|1,0,1]=4 18697 B12R1.30 C#CCNC(=O)C1CCCCC1 1626a_100000212058_100000210647 [0,1,0,1,0,0|1,0,1]=4 18698 B12R1.30 C#CCNC(=O)C1CCCCC1 240690a_100000212058_100000210647 [0,1,0,1,0,0|1,0,1]=4 18699 B12R1.30 C#CCNC(=O)C1CCCCC1 527a_100000212058_100000210647 [0,1,0,1,0,0|1,0,1]=4 18700 B12R1.30 C/C=C/CC(=O)C1CCCCC1 1458a_100000210647_100102629194 [0,1,0,1,0,0|1,0,1]=4 18701 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000210647_100000754431 [0,1,0,1,0,0|1,0,1]=4 18702 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000749702_100000210327 [0,1,0,1,0,0|1,0,1]=4 18703 B12R1.30 C=CCNC(=O)C1CCCCC1 1626a_100020586998_100000210647 [0,1,0,1,0,0|1,0,1]=4 18704 B12R1.30 C=CCNC(=O)C1CCCCC1 240690a_100020586998_100000210647 [0,1,0,1,0,0|1,0,1]=4 18705 B12R1.30 C=CCNC(=O)C1CCCCC1 527a_100020586998_100000210647 [0,1,0,1,0,0|1,0,1]=4 18706 B12R1.30 CC#CCC(=O)C1CCCCC1 1458a_100000210647_100000748600 [0,1,0,1,0,0|1,0,1]=4 18707 B12R1.30 CC(OCCF)C1CCCCC1 34a_100011216961_100011217306 [0,1,0,1,0,0|1,0,1]=4 18708 B12R1.30 CC(OCCF)C1CCCCC1 7a_100011216961_100011217306 [0,1,0,1,0,0|1,0,1]=4 18709 B12R1.30 CC(OCCO)C1CCCCC1 34a_100011216961_100000211926 [0,1,0,1,0,0|1,0,1]=4 18710 B12R1.30 CC(OCCO)C1CCCCC1 7a_100011216961_100000211926 [0,1,0,1,0,0|1,0,1]=4 18711 B12R1.30 CC=CCC(=O)C1CCCCC1 1458a_100000210647_100000070051 [0,1,0,1,0,0|1,0,1]=4 18712 B12R1.30 CC=CCC(=O)C1CCCCC1 1458a_100121576822_100000210327 [0,1,0,1,0,0|1,0,1]=4 18713 B12R1.30 CC=NNC(=O)C1CCCCC1 4a_100000184180_200000210099 [0,1,0,1,0,0|1,0,1]=4 18714 B12R1.30 CCC#CC(=O)C1CCCCC1 1458a_100011827653_100000210327 [0,1,0,1,0,0|1,0,0]=3 18715 B12R1.30 CCC#CC(=O)C1CCCOC1 1458a_100011827653_100000693364 [0,1,0,1,0,0|2,0,0]=4 18716 B12R1.30 CCC#CC(=O)C1CCOCC1 1458a_100011827653_100011324220 [0,1,0,1,0,0|2,0,0]=4 18717 B12R1.30 CCC=CC(=O)C1CCCCC1 1458a_100000212282_100000210327 [0,1,0,1,0,0|1,0,0]=3 18718 B12R1.30 CCC=CC(=O)C1CCCOC1 1458a_100000212282_100000693364 [0,1,0,1,0,0|2,0,0]=4 18719 B12R1.30 CCC=CC(=O)C1CCOCC1 1458a_100000212282_100011324220 [0,1,0,1,0,0|2,0,0]=4 18720 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [0,1,0,1,0,0|1,0,0]=3 18721 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [0,1,0,1,0,0|1,0,0]=3 18722 B12R1.30 CCCCC(=O)C1CCCCO1 1458a_100000748299_100000210211 [0,1,0,1,0,0|2,0,0]=4 18723 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000210183_100000693364 [0,1,0,1,0,0|2,0,0]=4 18724 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000741522_100000210211 [0,1,0,1,0,0|2,0,0]=4 18725 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000195482_100000210211 [0,1,0,1,0,0|2,0,0]=4 18726 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000210183_100011324220 [0,1,0,1,0,0|2,0,0]=4 18727 B12R1.30 CCCCC(=O)C1CCSCC1 1458a_100000755232_100000210211 [0,1,0,1,0,0|2,0,0]=4 18728 B12R1.30 CCCNC(=O)C1CCCCC1 11a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18729 B12R1.30 CCCNC(=O)C1CCCCC1 1626a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18730 B12R1.30 CCCNC(=O)C1CCCCC1 240690a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18731 B12R1.30 CCCNC(=O)C1CCCCC1 527a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18732 B12R1.30 CCCNC(=O)C1CCCCO1 11a_100020643023_100000748299 [0,1,0,1,0,0|2,0,0]=4 18733 B12R1.30 CCCNC(=O)C1CCCCO1 1626a_100020643023_100000748299 [0,1,0,1,0,0|2,0,0]=4 18734 B12R1.30 CCCNC(=O)C1CCCCO1 240690a_100020643023_100000748299 [0,1,0,1,0,0|2,0,0]=4 18735 B12R1.30 CCCNC(=O)C1CCCCO1 527a_100020643023_100000748299 [0,1,0,1,0,0|2,0,0]=4 18736 B12R1.30 CCCNC(=O)C1CCCOC1 11a_100020643023_100000741522 [0,1,0,1,0,0|2,0,0]=4 18737 B12R1.30 CCCNC(=O)C1CCCOC1 1626a_100020643023_100000741522 [0,1,0,1,0,0|2,0,0]=4 18738 B12R1.30 CCCNC(=O)C1CCCOC1 240690a_100020643023_100000741522 [0,1,0,1,0,0|2,0,0]=4 18739 B12R1.30 CCCNC(=O)C1CCCOC1 527a_100020643023_100000741522 [0,1,0,1,0,0|2,0,0]=4 18740 B12R1.30 CCCNC(=O)C1CCOCC1 11a_100020643023_100000195482 [0,1,0,1,0,0|2,0,0]=4 18741 B12R1.30 CCCNC(=O)C1CCOCC1 1626a_100020643023_100000195482 [0,1,0,1,0,0|2,0,0]=4 18742 B12R1.30 CCCNC(=O)C1CCOCC1 240690a_100020643023_100000195482 [0,1,0,1,0,0|2,0,0]=4 18743 B12R1.30 CCCNC(=O)C1CCOCC1 527a_100020643023_100000195482 [0,1,0,1,0,0|2,0,0]=4 18744 B12R1.30 CCCNC(=O)C1CCSCC1 11a_100020643023_100000755232 [0,1,0,1,0,0|2,0,0]=4 18745 B12R1.30 CCCNC(=O)C1CCSCC1 1626a_100020643023_100000755232 [0,1,0,1,0,0|2,0,0]=4 18746 B12R1.30 CCCNC(=O)C1CCSCC1 240690a_100020643023_100000755232 [0,1,0,1,0,0|2,0,0]=4 18747 B12R1.30 CCCNC(=O)C1CCSCC1 527a_100020643023_100000755232 [0,1,0,1,0,0|2,0,0]=4 18748 B12R1.30 CCCOC(C)C1CCCCC1 34a_100011216961_100000210303 [0,1,0,1,0,0|1,0,1]=4 18749 B12R1.30 CCCOC(C)C1CCCCC1 7a_100011216961_100000210303 [0,1,0,1,0,0|1,0,1]=4 18750 B12R1.30 CCNCC(=O)C1CCCCC1 2230a_100015525214_100000241979 [0,1,0,1,0,0|1,0,0]=3 18751 B12R1.30 CCNCC(=O)C1CCOCC1 2230a_100015525214_100000689883 [0,1,0,1,0,0|2,0,0]=4 18752 B12R1.30 CCNCC(=O)N1CCCCC1 2230a_100000751303_100000210202 [0,1,0,1,0,0|2,0,0]=4 18753 B12R1.30 CCNCC(=O)N1CCCCC1 2230a_100015525214_100000183409 [0,1,0,1,0,0|2,0,0]=4 18754 B12R1.30 CCNN=C(C)C1CCCCC1 4a_100000756455_100000210989 [0,1,0,1,0,0|2,0,0]=4 18755 B12R1.30 CCNNC(=O)C1CCCCC1 22a_100000756455_100000210647 [0,1,0,1,0,0|1,0,0]=3 18756 B12R1.30 CCNNC(=O)C1CCCCO1 22a_100000756455_100000748299 [0,1,0,1,0,0|2,0,0]=4 18757 B12R1.30 CCNNC(=O)C1CCCOC1 22a_100000756455_100000741522 [0,1,0,1,0,0|2,0,0]=4 18758 B12R1.30 CCNNC(=O)C1CCOCC1 22a_100000756455_100000195482 [0,1,0,1,0,0|2,0,0]=4 18759 B12R1.30 CCNNC(=O)C1CCSCC1 22a_100000756455_100000755232 [0,1,0,1,0,0|2,0,0]=4 18760 B12R1.30 CCOCC(=O)C1C=CCCC1 1458a_100000211967_100000751183 [0,1,0,1,0,0|0,0,2]=4 18761 B12R1.30 CCOCC(=O)C1CCCCC1 1458a_100000211967_100000210327 [0,1,0,1,0,0|0,0,0]=2 18762 B12R1.30 CCOCC(=O)C1CCCCC1 34a_100121572206_100000241979 [0,1,0,1,0,0|0,0,0]=2 18763 B12R1.30 CCOCC(=O)C1CCCOC1 1458a_100000211967_100000693364 [0,1,0,1,0,0|1,0,0]=3 18764 B12R1.30 CCOCC(=O)C1CCOCC1 1458a_100000211967_100011324220 [0,1,0,1,0,0|1,0,0]=3 18765 B12R1.30 CCOCC(=O)C1CCOCC1 34a_100121572206_100000689883 [0,1,0,1,0,0|1,0,0]=3 18766 B12R1.30 CCOCC(=O)N1CCCCC1 34a_100121572206_100000183409 [0,1,0,1,0,0|1,0,0]=3 18767 B12R1.30 CCOCC(=O)N1CCCCC1 7a_100011315646_100000210202 [0,1,0,1,0,0|1,0,0]=3 18768 B12R1.30 CCOCC(=O)N1CCCOC1 11a_100000131196_100000211967 [0,1,0,1,0,0|2,0,0]=4 18769 B12R1.30 CCOCC(=O)N1CCCOC1 240690a_100000131196_100000211967 [0,1,0,1,0,0|2,0,0]=4 18770 B12R1.30 CCOCC(=O)N1CCOCC1 11a_100015191051_100000211967 [0,1,0,1,0,0|2,0,0]=4 18771 B12R1.30 CCOCC(=O)N1CCOCC1 1626a_100015191051_100000211967 [0,1,0,1,0,0|2,0,0]=4 18772 B12R1.30 CCOCC(=O)N1CCOCC1 240690a_100015191051_100000211967 [0,1,0,1,0,0|2,0,0]=4 18773 B12R1.30 CCOCC(=O)N1CCOCC1 34a_100121572206_100000183410 [0,1,0,1,0,0|2,0,0]=4 18774 B12R1.30 CCOCC(=O)N1CCOCC1 527a_100015191051_100000211967 [0,1,0,1,0,0|2,0,0]=4 18775 B12R1.30 CCOCC(=O)N1CCOCC1 7a_100000752472_100000210202 [0,1,0,1,0,0|2,0,0]=4 18776 B12R1.30 CCOCC(=O)N1CCSCC1 11a_100000737611_100000211967 [0,1,0,1,0,0|2,0,0]=4 18777 B12R1.30 CCOCC(=O)N1CCSCC1 240690a_100000737611_100000211967 [0,1,0,1,0,0|2,0,0]=4 18778 B12R1.30 CCOCC(=O)N1CCSCC1 527a_100000737611_100000211967 [0,1,0,1,0,0|2,0,0]=4 18779 B12R1.30 CCOCN(C)C1CCCCC1 269982a_100000207522_100000739092 [0,1,0,1,0,0|2,0,0]=4 18780 B12R1.30 CCOC[C@H](N)C1CCCCC1 34a_100009817630_100000210202 [0,1,0,1,0,0|1,0,1]=4 18781 B12R1.30 CCSCC(=O)C1CCCCC1 1458a_100000230394_100000210327 [0,1,0,1,0,0|0,1,0]=3 18782 B12R1.30 CCSCC(=O)C1CCCCC1 62a_100000210202_100000241979 [0,1,0,1,0,0|0,1,0]=3 18783 B12R1.30 CCSCC(=O)C1CCCCC1 62a_100000241979_100000210202 [0,1,0,1,0,0|0,1,0]=3 18784 B12R1.30 CCSCC(=O)C1CCCOC1 1458a_100000230394_100000693364 [0,1,0,1,0,0|1,1,0]=4 18785 B12R1.30 CCSCC(=O)C1CCOCC1 1458a_100000230394_100011324220 [0,1,0,1,0,0|1,1,0]=4 18786 B12R1.30 CCSCC(=O)C1CCOCC1 62a_100000210202_100000689883 [0,1,0,1,0,0|1,1,0]=4 18787 B12R1.30 CCSCC(=O)C1CCOCC1 62a_100000689883_100000210202 [0,1,0,1,0,0|1,1,0]=4 18788 B12R1.30 CCSCC(=O)N1CCCCC1 62a_100000183409_100000210202 [0,1,0,1,0,0|1,1,0]=4 18789 B12R1.30 CCSCC(=O)N1CCCCC1 62a_100000210202_100000183409 [0,1,0,1,0,0|1,1,0]=4 18790 B12R1.30 CNCCC(=O)N1CCCCC1 2230a_106832991635_100102558178 [0,1,0,1,0,0|2,0,0]=4 18791 B12R1.30 CNCCC(=O)N1CCCCC1 34a_100102657272_100102558178 [0,1,0,1,0,0|2,0,0]=4 18792 B12R1.30 CNCCC(=O)N1CCCCC1 7a_106832991635_100102558178 [0,1,0,1,0,0|2,0,0]=4 18793 B12R1.30 CNCOC(=O)C1CCCCC1 2230a_106832991635_100009893799 [0,1,0,1,0,0|0,0,0]=2 18794 B12R1.30 CNCOC(=O)C1CCCCC1 34a_100102657272_100009893799 [0,1,0,1,0,0|0,0,0]=2 18795 B12R1.30 CNCOC(=O)N1CCOCC1 2230a_106832991635_100009898760 [0,1,0,1,0,0|2,0,0]=4 18796 B12R1.30 COC=CC(=O)C1CCCCC1 1458a_100016268678_100000210327 [0,1,0,1,0,0|1,0,1]=4 18797 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000210647_100000233755 [0,1,0,1,0,0|1,0,0]=3 18798 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000749529_100000210327 [0,1,0,1,0,0|1,0,0]=3 18799 B12R1.30 COCCC(=O)C1CCCCO1 1458a_100000748299_100000233755 [0,1,0,1,0,0|2,0,0]=4 18800 B12R1.30 COCCC(=O)C1CCCOC1 1458a_100000741522_100000233755 [0,1,0,1,0,0|2,0,0]=4 18801 B12R1.30 COCCC(=O)C1CCCOC1 1458a_100000749529_100000693364 [0,1,0,1,0,0|2,0,0]=4 18802 B12R1.30 COCCC(=O)C1CCOCC1 1458a_100000195482_100000233755 [0,1,0,1,0,0|2,0,0]=4 18803 B12R1.30 COCCC(=O)C1CCOCC1 1458a_100000749529_100011324220 [0,1,0,1,0,0|2,0,0]=4 18804 B12R1.30 COCCC(=O)C1CCSCC1 1458a_100000755232_100000233755 [0,1,0,1,0,0|2,0,0]=4 18805 B12R1.30 COCCC(=O)N1CCCCC1 34a_100138415774_100102558178 [0,1,0,1,0,0|2,0,0]=4 18806 B12R1.30 COCOC(=O)C1CCCCC1 34a_100138415774_100009893799 [0,1,0,1,0,0|0,0,0]=2 18807 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000174002_100000210327 [0,1,0,1,0,0|1,0,0]=3 18808 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000210647_100000751147 [0,1,0,1,0,0|1,0,0]=3 18809 B12R1.30 CSCCC(=O)C1CCCCO1 1458a_100000748299_100000751147 [0,1,0,1,0,0|2,0,0]=4 18810 B12R1.30 CSCCC(=O)C1CCCOC1 1458a_100000174002_100000693364 [0,1,0,1,0,0|2,0,0]=4 18811 B12R1.30 CSCCC(=O)C1CCCOC1 1458a_100000741522_100000751147 [0,1,0,1,0,0|2,0,0]=4 18812 B12R1.30 CSCCC(=O)C1CCOCC1 1458a_100000174002_100011324220 [0,1,0,1,0,0|2,0,0]=4 18813 B12R1.30 CSCCC(=O)C1CCOCC1 1458a_100000195482_100000751147 [0,1,0,1,0,0|2,0,0]=4 18814 B12R1.30 CSCCC(=O)C1CCSCC1 1458a_100000755232_100000751147 [0,1,0,1,0,0|2,0,0]=4 18815 B12R1.30 CSCCC(=O)N1CCCCC1 62a_100102558178_200000210301 [0,1,0,1,0,0|2,0,0]=4 18816 B12R1.30 CSCCC(=O)N1CCCCC1 62a_200000210301_100102558178 [0,1,0,1,0,0|2,0,0]=4 18817 B12R1.30 CSCOC(=O)C1CCCCC1 62a_100009893799_200000210301 [0,1,0,1,0,0|0,0,0]=2 18818 B12R1.30 CSCOC(=O)C1CCCCC1 62a_200000210301_100009893799 [0,1,0,1,0,0|0,0,0]=2 18819 B12R1.30 CSCOC(=O)N1CCOCC1 62a_100009898760_200000210301 [0,1,0,1,0,0|2,0,0]=4 18820 B12R1.30 CSCOC(=O)N1CCOCC1 62a_200000210301_100009898760 [0,1,0,1,0,0|2,0,0]=4 18821 B12R1.30 CSCOC(C)C1CCCCC1 34a_100011216961_100011218213 [0,1,0,1,0,0|1,0,1]=4 18822 B12R1.30 N#CCCC(=O)C1CCCCC1 1458a_100000210647_100011215226 [0,1,0,1,0,0|1,0,1]=4 18823 B12R1.30 N#CCCC(=O)C1CCCCC1 1458a_100011934036_100000210327 [0,1,0,1,0,0|1,0,1]=4 18824 B12R1.30 N#CCNC(=O)C1CCCCC1 1626a_100000734998_100000210647 [0,1,0,1,0,0|1,0,1]=4 18825 B12R1.30 N#CCNC(=O)C1CCCCC1 527a_100000734998_100000210647 [0,1,0,1,0,0|1,0,1]=4 18826 B12R1.30 O=C(C#CCO)C1CCCCC1 1458a_100000049017_100000210327 [0,1,0,1,0,0|1,0,1]=4 18827 B12R1.30 O=C(CCCF)C1CCCCC1 1458a_100000210647_100011934791 [0,1,0,1,0,0|1,0,0]=3 18828 B12R1.30 O=C(CCCF)C1CCCCO1 1458a_100000748299_100011934791 [0,1,0,1,0,0|2,0,0]=4 18829 B12R1.30 O=C(CCCF)C1CCCOC1 1458a_100000741522_100011934791 [0,1,0,1,0,0|2,0,0]=4 18830 B12R1.30 O=C(CCCF)C1CCOCC1 1458a_100000195482_100011934791 [0,1,0,1,0,0|2,0,0]=4 18831 B12R1.30 O=C(CCCF)C1CCSCC1 1458a_100000755232_100011934791 [0,1,0,1,0,0|2,0,0]=4 18832 B12R1.30 O=C(CCCO)C1CCCCC1 1458a_100000210647_100011215043 [0,1,0,1,0,0|1,0,0]=3 18833 B12R1.30 O=C(CCCO)C1CCCCO1 1458a_100000748299_100011215043 [0,1,0,1,0,0|2,0,0]=4 18834 B12R1.30 O=C(CCCO)C1CCCOC1 1458a_100000741522_100011215043 [0,1,0,1,0,0|2,0,0]=4 18835 B12R1.30 O=C(CCCO)C1CCOCC1 1458a_100000195482_100011215043 [0,1,0,1,0,0|2,0,0]=4 18836 B12R1.30 O=C(CCCO)C1CCSCC1 1458a_100000755232_100011215043 [0,1,0,1,0,0|2,0,0]=4 18837 B12R1.30 O=C(COCF)N1CCCCC1 7a_100011315646_100015361967 [0,1,0,1,0,0|2,0,0]=4 18838 B12R1.30 O=C(CSCF)C1CCCCC1 62a_100000241979_100015361967 [0,1,0,1,0,0|1,1,0]=4 18839 B12R1.30 O=C(CSCF)C1CCCCC1 62a_100015361967_100000241979 [0,1,0,1,0,0|1,1,0]=4 18840 B12R1.30 O=C(NCCF)C1CCCCC1 11a_100000724931_100000210647 [0,1,0,1,0,0|1,0,0]=3 18841 B12R1.30 O=C(NCCF)C1CCCCC1 1626a_100000724931_100000210647 [0,1,0,1,0,0|1,0,0]=3 18842 B12R1.30 O=C(NCCF)C1CCCCC1 240690a_100000724931_100000210647 [0,1,0,1,0,0|1,0,0]=3 18843 B12R1.30 O=C(NCCF)C1CCCCC1 527a_100000724931_100000210647 [0,1,0,1,0,0|1,0,0]=3 18844 B12R1.30 O=C(NCCF)C1CCCCO1 11a_100000724931_100000748299 [0,1,0,1,0,0|2,0,0]=4 18845 B12R1.30 O=C(NCCF)C1CCCCO1 1626a_100000724931_100000748299 [0,1,0,1,0,0|2,0,0]=4 18846 B12R1.30 O=C(NCCF)C1CCCCO1 240690a_100000724931_100000748299 [0,1,0,1,0,0|2,0,0]=4 18847 B12R1.30 O=C(NCCF)C1CCCCO1 527a_100000724931_100000748299 [0,1,0,1,0,0|2,0,0]=4 18848 B12R1.30 O=C(NCCF)C1CCCOC1 11a_100000724931_100000741522 [0,1,0,1,0,0|2,0,0]=4 18849 B12R1.30 O=C(NCCF)C1CCCOC1 1626a_100000724931_100000741522 [0,1,0,1,0,0|2,0,0]=4 18850 B12R1.30 O=C(NCCF)C1CCCOC1 240690a_100000724931_100000741522 [0,1,0,1,0,0|2,0,0]=4 18851 B12R1.30 O=C(NCCF)C1CCCOC1 527a_100000724931_100000741522 [0,1,0,1,0,0|2,0,0]=4 18852 B12R1.30 O=C(NCCF)C1CCOCC1 11a_100000724931_100000195482 [0,1,0,1,0,0|2,0,0]=4 18853 B12R1.30 O=C(NCCF)C1CCOCC1 1626a_100000724931_100000195482 [0,1,0,1,0,0|2,0,0]=4 18854 B12R1.30 O=C(NCCF)C1CCOCC1 240690a_100000724931_100000195482 [0,1,0,1,0,0|2,0,0]=4 18855 B12R1.30 O=C(NCCF)C1CCOCC1 527a_100000724931_100000195482 [0,1,0,1,0,0|2,0,0]=4 18856 B12R1.30 O=C(NCCF)C1CCSCC1 11a_100000724931_100000755232 [0,1,0,1,0,0|2,0,0]=4 18857 B12R1.30 O=C(NCCF)C1CCSCC1 1626a_100000724931_100000755232 [0,1,0,1,0,0|2,0,0]=4 18858 B12R1.30 O=C(NCCF)C1CCSCC1 240690a_100000724931_100000755232 [0,1,0,1,0,0|2,0,0]=4 18859 B12R1.30 O=C(NCCF)C1CCSCC1 527a_100000724931_100000755232 [0,1,0,1,0,0|2,0,0]=4 18860 B12R1.30 O=C(NCCO)C1CCCCC1 240690a_100000210304_100000210647 [0,1,0,1,0,0|1,0,0]=3 18861 B12R1.30 O=C(NCCO)C1CCCCC1 527a_100000210304_100000210647 [0,1,0,1,0,0|1,0,0]=3 18862 B12R1.30 O=C(NCCO)C1CCCCO1 240690a_100000210304_100000748299 [0,1,0,1,0,0|2,0,0]=4 18863 B12R1.30 O=C(NCCO)C1CCCCO1 527a_100000210304_100000748299 [0,1,0,1,0,0|2,0,0]=4 18864 B12R1.30 O=C(NCCO)C1CCCOC1 240690a_100000210304_100000741522 [0,1,0,1,0,0|2,0,0]=4 18865 B12R1.30 O=C(NCCO)C1CCCOC1 527a_100000210304_100000741522 [0,1,0,1,0,0|2,0,0]=4 18866 B12R1.30 O=C(NCCO)C1CCOCC1 240690a_100000210304_100000195482 [0,1,0,1,0,0|2,0,0]=4 18867 B12R1.30 O=C(NCCO)C1CCOCC1 527a_100000210304_100000195482 [0,1,0,1,0,0|2,0,0]=4 18868 B12R1.30 O=C(NCCO)C1CCSCC1 240690a_100000210304_100000755232 [0,1,0,1,0,0|2,0,0]=4 18869 B12R1.30 O=C(NCCO)C1CCSCC1 527a_100000210304_100000755232 [0,1,0,1,0,0|2,0,0]=4 18870 B12R1.30 [13CH3]SCCC(=O)N1CCCCC1 62a_100102558178_200025704644 [0,1,0,1,0,0|2,0,0]=4 18871 B12R1.30 [13CH3]SCCC(=O)N1CCCCC1 62a_200025704644_100102558178 [0,1,0,1,0,0|2,0,0]=4 18872 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_100009893799_200025704644 [0,1,0,1,0,0|0,0,0]=2 18873 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_200025704644_100009893799 [0,1,0,1,0,0|0,0,0]=2 18874 B12R1.30 [13CH3]SCOC(=O)N1CCOCC1 62a_100009898760_200025704644 [0,1,0,1,0,0|2,0,0]=4 18875 B12R1.30 [13CH3]SCOC(=O)N1CCOCC1 62a_200025704644_100009898760 [0,1,0,1,0,0|2,0,0]=4 18876 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,1,0,1,0,0|2,0,0]=4 18877 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [0,1,0,1,0,0|2,0,0]=4 18878 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [0,1,0,1,0,0|2,0,0]=4 18879 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [0,1,0,1,0,0|2,0,0]=4 18880 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [0,1,0,1,0,0|2,0,0]=4 18881 B12R1.267 CCCCNC1COCCC1=O 7a_106832991798_100012180262 [0,1,0,1,0,0|2,0,0]=4 18882 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,1,0,1,0,0|2,0,0]=4 18883 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,1,0,1,0,0|2,0,0]=4 18884 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,1,0,1,0,0|2,0,0]=4 18885 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [0,1,0,1,0,0|2,0,0]=4 18886 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [0,1,0,1,0,0|2,0,0]=4 18887 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [0,1,0,1,0,0|2,0,0]=4 18888 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [0,1,0,1,0,0|2,0,0]=4 18889 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [0,1,0,1,0,0|2,0,0]=4 18890 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,1,0,1,0,0|2,0,0]=4 18891 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,1,0,1,0,0|2,0,0]=4 18892 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [0,1,0,1,0,0|2,0,0]=4 18893 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [0,1,0,1,0,0|2,0,0]=4 18894 B12R1.267 CCCCSC1COCCC1=O 62a_100000210211_100012180262 [0,1,0,1,0,0|2,0,0]=4 18895 B12R1.267 CCCCSC1COCCC1=O 62a_100012180262_100000210210 [0,1,0,1,0,0|2,0,0]=4 18896 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,1,0,1,0,0|2,0,0]=4 18897 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,1,0,1,0,0|2,0,0]=4 18898 B12R1.267 CCOCCC1NCCNC1=O 34a_100000044719_100000210202 [0,1,0,1,0,0|2,0,0]=4 18899 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [0,1,0,1,0,0|1,0,1]=4 18900 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [0,1,0,1,0,0|1,0,1]=4 18901 B12R1.329 CCNN=C1CCCCCCC1 4a_100000756455_100000210524 [0,1,0,1,0,0|2,0,0]=4 18902 B12R1.329 CCOCC1CCCCCCC1 34a_100011216312_100000210202 [0,1,0,1,0,0|1,0,1]=4 18903 B12R1.329 CCOCC1CCCCCCC1 7a_100011216312_100000210202 [0,1,0,1,0,0|1,0,1]=4 18904 B12R1.329 CCOCN1CCCCCCC1 269982a_100000211400_100000739092 [0,1,0,1,0,0|2,0,0]=4 18905 B12R1.329 CSCOC1CCCCCCC1 34a_100000210054_100011218213 [0,1,0,1,0,0|1,0,1]=4 18906 B12R1.329 FCCOC1CCCCCCC1 34a_100000210054_100011217306 [0,1,0,1,0,0|1,0,1]=4 18907 B12R1.329 FCCOC1CCCCCCC1 7a_100000210054_100011217306 [0,1,0,1,0,0|1,0,1]=4 18908 B12R1.329 OCCOC1CCCCCCC1 34a_100000210054_100000211926 [0,1,0,1,0,0|1,0,1]=4 18909 B12R1.329 OCCOC1CCCCCCC1 7a_100000210054_100000211926 [0,1,0,1,0,0|1,0,1]=4 18910 B12R1.382 CCC1CCCC(C1)OCCF 7a_100011985506_100011217306 [0,1,0,1,0,0|1,0,1]=4 18911 B12R1.382 CCC1CCCC(C1)OCCO 7a_100011985506_100000211926 [0,1,0,1,0,0|1,0,1]=4 18912 B12R1.382 CCCOC1CCCC(C1)CC 7a_100011985506_100000210303 [0,1,0,1,0,0|1,0,1]=4 18913 B12R1.382 CCNN=C1CCCC(C1)CC 4a_100000756455_100000756783 [0,1,0,1,0,0|2,0,0]=4 18914 B12R1.463 C=C(CNC1CCC1)OCOC 34a_100000749019_100000042856 [0,1,0,1,0,0|2,0,0]=4 18915 B12R1.463 C=C(COC1CCC1)OCOC 34a_100000748187_100000042856 [0,1,0,1,0,0|2,0,0]=4 18916 B12R1.463 C=C(CSC1CCC1)OCOC 62a_100000042856_100000749161 [0,1,0,1,0,0|2,0,0]=4 18917 B12R1.463 C=CCOC(=O)CNC1CCC1 2230a_100000749019_100000033060 [0,1,0,1,0,0|1,0,1]=4 18918 B12R1.463 C=CCOC(=O)CNC1CCC1 34a_100000749019_100000033060 [0,1,0,1,0,0|1,0,1]=4 18919 B12R1.463 C=CCOC(=O)COC1CCC1 34a_100000748187_100000033060 [0,1,0,1,0,0|1,0,1]=4 18920 B12R1.463 C=CCOC(=O)CSC1CCC1 62a_100000033060_100000749161 [0,1,0,1,0,0|1,0,1]=4 18921 B12R1.463 CCC=CC(=O)NCC1CCC1 11a_100000738700_100000212282 [0,1,0,1,0,0|2,0,0]=4 18922 B12R1.463 CCC=CC(=O)NCC1CCC1 1626a_100000738700_100000212282 [0,1,0,1,0,0|2,0,0]=4 18923 B12R1.463 CCC=CC(=O)NCC1CCC1 240690a_100000738700_100000212282 [0,1,0,1,0,0|2,0,0]=4 18924 B12R1.463 CCCCC(=O)NCC1CCC1 11a_100000738700_100000210183 [0,1,0,1,0,0|2,0,0]=4 18925 B12R1.463 CCCCC(=O)NCC1CCC1 1626a_100000738700_100000210183 [0,1,0,1,0,0|2,0,0]=4 18926 B12R1.463 CCCCC(=O)NCC1CCC1 240690a_100000738700_100000210183 [0,1,0,1,0,0|2,0,0]=4 18927 B12R1.463 CCCCC(=O)NCC1CCC1 527a_100000738700_100000210183 [0,1,0,1,0,0|2,0,0]=4 18928 B12R1.463 CCCNC(=O)CNC1CCC1 2230a_100000749019_100000183358 [0,1,0,1,0,0|2,0,0]=4 18929 B12R1.463 CCCNC(=O)CNC1CCC1 270004a_100000174927_100000241760 [0,1,0,1,0,0|2,0,0]=4 18930 B12R1.463 CCCNC(=O)CNC1CCC1 34a_100000749019_100000183358 [0,1,0,1,0,0|2,0,0]=4 18931 B12R1.463 CCCNC(=O)COC1CCC1 34a_100000748187_100000183358 [0,1,0,1,0,0|2,0,0]=4 18932 B12R1.463 CCCNC(=O)CSC1CCC1 62a_100000183358_100000749161 [0,1,0,1,0,0|2,0,0]=4 18933 B12R1.463 CCCNC(=O)NCC1CCC1 2708a_100000738700_100020643023 [0,1,0,1,0,0|2,0,0]=4 18934 B12R1.463 CCCNC(=O)NCC1CCC1 2708a_100020643023_100000738700 [0,1,0,1,0,0|2,0,0]=4 18935 B12R1.463 CCCNC(=O)NCC1CCC1 273464a_100000738700_100020643023 [0,1,0,1,0,0|2,0,0]=4 18936 B12R1.463 CCCNC(=O)NCC1CCC1 273464a_100020643023_100000738700 [0,1,0,1,0,0|2,0,0]=4 18937 B12R1.463 CCCNC(=O)NCC1CCC1 512a_100000738700_100020643023 [0,1,0,1,0,0|2,0,0]=4 18938 B12R1.463 CCCNC(=O)NCC1CCC1 512a_100020643023_100000738700 [0,1,0,1,0,0|2,0,0]=4 18939 B12R1.463 CCCOC(=O)CNC1CCC1 2230a_100000749019_200011215008 [0,1,0,1,0,0|1,0,0]=3 18940 B12R1.463 CCCOC(=O)CNC1CCC1 34a_100000749019_200011215008 [0,1,0,1,0,0|1,0,0]=3 18941 B12R1.463 CCCOC(=O)CNC1COC1 2230a_100016991112_200011215008 [0,1,0,1,0,0|2,0,0]=4 18942 B12R1.463 CCCOC(=O)COC1CCC1 34a_100000748187_200011215008 [0,1,0,1,0,0|1,0,0]=3 18943 B12R1.463 CCCOC(=O)COC1CSC1 7a_100000072292_200011215008 [0,1,0,1,0,0|2,0,0]=4 18944 B12R1.463 CCCOC(=O)CSC1CCC1 62a_200011215008_100000749161 [0,1,0,1,0,0|1,0,0]=3 18945 B12R1.463 CCCOC(=O)CSC1COC1 62a_200011215008_100009818527 [0,1,0,1,0,0|2,0,0]=4 18946 B12R1.463 CCCOC(=O)OCN1CCC1 269982a_100000754969_200000139673 [0,1,0,1,0,0|2,0,0]=4 18947 B12R1.463 CCNNC(=O)NCC1CCC1 273464a_100000738700_100000756455 [0,1,0,1,0,0|2,0,0]=4 18948 B12R1.463 CCNNC(=O)NCC1CCC1 512a_100000738700_100000756455 [0,1,0,1,0,0|2,0,0]=4 18949 B12R1.463 CCNNC(=O)NCC1CCC1 512a_100000756455_100000738700 [0,1,0,1,0,0|2,0,0]=4 18950 B12R1.463 CCOCC(=O)NCC1CCC1 11a_100000738700_100000211967 [0,1,0,1,0,0|1,0,0]=3 18951 B12R1.463 CCOCC(=O)NCC1CCC1 1626a_100000738700_100000211967 [0,1,0,1,0,0|1,0,0]=3 18952 B12R1.463 CCOCC(=O)NCC1CCC1 240690a_100000738700_100000211967 [0,1,0,1,0,0|1,0,0]=3 18953 B12R1.463 CCOCC(=O)NCC1CCC1 527a_100000738700_100000211967 [0,1,0,1,0,0|1,0,0]=3 18954 B12R1.463 CCOCC(=O)NCC1COC1 11a_100015281925_100000211967 [0,1,0,1,0,0|2,0,0]=4 18955 B12R1.463 CCOCC(=O)NCC1COC1 1626a_100015281925_100000211967 [0,1,0,1,0,0|2,0,0]=4 18956 B12R1.463 CCOCC(=O)NCC1COC1 240690a_100015281925_100000211967 [0,1,0,1,0,0|2,0,0]=4 18957 B12R1.463 CCOCC(=O)NCC1COC1 527a_100015281925_100000211967 [0,1,0,1,0,0|2,0,0]=4 18958 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211967 [0,1,0,1,0,0|2,0,0]=4 18959 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211967 [0,1,0,1,0,0|2,0,0]=4 18960 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211967 [0,1,0,1,0,0|2,0,0]=4 18961 B12R1.463 CCOCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211967 [0,1,0,1,0,0|2,0,0]=4 18962 B12R1.463 CCOCC(=O)NNC1CCC1 22a_100000736358_100000211967 [0,1,0,1,0,0|2,0,0]=4 18963 B12R1.463 CCSCC(=O)NCC1CCC1 11a_100000738700_100000230394 [0,1,0,1,0,0|1,1,0]=4 18964 B12R1.463 CCSCC(=O)NCC1CCC1 1626a_100000738700_100000230394 [0,1,0,1,0,0|1,1,0]=4 18965 B12R1.463 CCSCC(=O)NCC1CCC1 240690a_100000738700_100000230394 [0,1,0,1,0,0|1,1,0]=4 18966 B12R1.463 CCSCC(=O)NCC1CCC1 527a_100000738700_100000230394 [0,1,0,1,0,0|1,1,0]=4 18967 B12R1.463 COCCC(=O)NCC1CCC1 11a_100000738700_100000749529 [0,1,0,1,0,0|2,0,0]=4 18968 B12R1.463 COCCC(=O)NCC1CCC1 1626a_100000738700_100000749529 [0,1,0,1,0,0|2,0,0]=4 18969 B12R1.463 COCCC(=O)NCC1CCC1 240690a_100000738700_100000749529 [0,1,0,1,0,0|2,0,0]=4 18970 B12R1.463 COCCC(=O)NCC1CCC1 527a_100000738700_100000749529 [0,1,0,1,0,0|2,0,0]=4 18971 B12R1.463 CSCCC(=O)NCC1CCC1 11a_100000738700_100000174002 [0,1,0,1,0,0|2,0,0]=4 18972 B12R1.463 CSCCC(=O)NCC1CCC1 1626a_100000738700_100000174002 [0,1,0,1,0,0|2,0,0]=4 18973 B12R1.463 CSCCC(=O)NCC1CCC1 240690a_100000738700_100000174002 [0,1,0,1,0,0|2,0,0]=4 18974 B12R1.463 CSCCC(=O)NCC1CCC1 527a_100000738700_100000174002 [0,1,0,1,0,0|2,0,0]=4 18975 B12R1.463 O=C(CNC1CCC1)NCCF 270004a_100000725713_100000241760 [0,1,0,1,0,0|2,0,0]=4 18976 B12R1.463 O=C(NCCF)NCC1CCC1 2708a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 18977 B12R1.463 O=C(NCCF)NCC1CCC1 273464a_100000724931_100000738700 [0,1,0,1,0,0|2,0,0]=4 18978 B12R1.463 O=C(NCCF)NCC1CCC1 273464a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 18979 B12R1.463 O=C(NCCF)NCC1CCC1 512a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 18980 B12R1.463 O=C(NCCO)NCC1CCC1 2708a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 18981 B12R1.463 O=C(NCCO)NCC1CCC1 273464a_100000210304_100000738700 [0,1,0,1,0,0|2,0,0]=4 18982 B12R1.463 O=C(NCCO)NCC1CCC1 273464a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 18983 B12R1.463 O=C(NCCO)NCC1CCC1 512a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 18984 B12R1.464 C=C(CNCC1CC1)OCOC 34a_100000735609_100000042856 [0,1,0,1,0,0|2,0,0]=4 18985 B12R1.464 C=C(COCC1CC1)OCOC 34a_100000211283_100000042856 [0,1,0,1,0,0|2,0,0]=4 18986 B12R1.464 C=C(CSCC1CC1)OCOC 62a_100000042856_100000742324 [0,1,0,1,0,0|2,0,0]=4 18987 B12R1.464 C=C(CSCC1CC1)OCOC 62a_100000756562_100000042856 [0,1,0,1,0,0|2,0,0]=4 18988 B12R1.464 C=CCOC(=O)CNCC1CC1 2230a_100000735609_100000033060 [0,1,0,1,0,0|1,0,1]=4 18989 B12R1.464 C=CCOC(=O)CNCC1CC1 34a_100000735609_100000033060 [0,1,0,1,0,0|1,0,1]=4 18990 B12R1.464 C=CCOC(=O)COCC1CC1 34a_100000211283_100000033060 [0,1,0,1,0,0|1,0,1]=4 18991 B12R1.464 C=CCOC(=O)CSCC1CC1 62a_100000033060_100000742324 [0,1,0,1,0,0|1,0,1]=4 18992 B12R1.464 C=CCOC(=O)CSCC1CC1 62a_100000756562_100000033060 [0,1,0,1,0,0|1,0,1]=4 18993 B12R1.464 CCC#CC(=O)CCCC1CO1 1458a_100011827653_100000733510 [0,1,0,1,0,0|2,0,0]=4 18994 B12R1.464 CCC=CC(=O)CCCC1CO1 1458a_100000212282_100000733510 [0,1,0,1,0,0|2,0,0]=4 18995 B12R1.464 CCC=CC(=O)NCCC1CC1 1626a_100000764129_100000212282 [0,1,0,1,0,0|2,0,0]=4 18996 B12R1.464 CCC=CC(=O)NCCC1CC1 240690a_100000764129_100000212282 [0,1,0,1,0,0|2,0,0]=4 18997 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [0,1,0,1,0,0|2,0,0]=4 18998 B12R1.464 CCCCC(=O)CSCC1CC1 1458a_200011316215_100000210211 [0,1,0,1,0,0|2,0,0]=4 18999 B12R1.464 CCCCC(=O)NCCC1CC1 1626a_100000764129_100000210183 [0,1,0,1,0,0|2,0,0]=4 19000 B12R1.464 CCCCC(=O)NCCC1CC1 240690a_100000764129_100000210183 [0,1,0,1,0,0|2,0,0]=4 19001 B12R1.464 CCCCC(=O)NCCC1CC1 527a_100000764129_100000210183 [0,1,0,1,0,0|2,0,0]=4 19002 B12R1.464 CCCNC(=O)CNCC1CC1 2230a_100000174927_100000742324 [0,1,0,1,0,0|2,0,0]=4 19003 B12R1.464 CCCNC(=O)CNCC1CC1 2230a_100000735609_100000183358 [0,1,0,1,0,0|2,0,0]=4 19004 B12R1.464 CCCNC(=O)CNCC1CC1 269862a_100000174927_100000741477 [0,1,0,1,0,0|2,0,0]=4 19005 B12R1.464 CCCNC(=O)CNCC1CC1 34a_100000735609_100000183358 [0,1,0,1,0,0|2,0,0]=4 19006 B12R1.464 CCCNC(=O)COCC1CC1 34a_100000211283_100000183358 [0,1,0,1,0,0|2,0,0]=4 19007 B12R1.464 CCCNC(=O)CSCC1CC1 11a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 19008 B12R1.464 CCCNC(=O)CSCC1CC1 1626a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 19009 B12R1.464 CCCNC(=O)CSCC1CC1 240690a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 19010 B12R1.464 CCCNC(=O)CSCC1CC1 527a_100020643023_200011316215 [0,1,0,1,0,0|2,0,0]=4 19011 B12R1.464 CCCNC(=O)CSCC1CC1 62a_100000183358_100000742324 [0,1,0,1,0,0|2,0,0]=4 19012 B12R1.464 CCCNC(=O)CSCC1CC1 62a_100000756562_100000183358 [0,1,0,1,0,0|2,0,0]=4 19013 B12R1.464 CCCNC(=O)NCCC1CC1 2708a_100000764129_100020643023 [0,1,0,1,0,0|2,0,0]=4 19014 B12R1.464 CCCNC(=O)NCCC1CC1 2708a_100020643023_100000764129 [0,1,0,1,0,0|2,0,0]=4 19015 B12R1.464 CCCNC(=O)NCCC1CC1 273464a_100000764129_100020643023 [0,1,0,1,0,0|2,0,0]=4 19016 B12R1.464 CCCNC(=O)NCCC1CC1 273464a_100020643023_100000764129 [0,1,0,1,0,0|2,0,0]=4 19017 B12R1.464 CCCNC(=O)NCCC1CC1 512a_100000764129_100020643023 [0,1,0,1,0,0|2,0,0]=4 19018 B12R1.464 CCCNC(=O)NCCC1CC1 512a_100020643023_100000764129 [0,1,0,1,0,0|2,0,0]=4 19019 B12R1.464 CCCOC(=O)CNCC1CC1 2230a_100000735609_200011215008 [0,1,0,1,0,0|1,0,0]=3 19020 B12R1.464 CCCOC(=O)CNCC1CC1 34a_100000735609_200011215008 [0,1,0,1,0,0|1,0,0]=3 19021 B12R1.464 CCCOC(=O)COCC1CC1 34a_100000211283_200011215008 [0,1,0,1,0,0|1,0,0]=3 19022 B12R1.464 CCCOC(=O)COC[C@@H]1CO1 34a_100000757423_200011215008 [0,1,0,1,0,0|2,0,0]=4 19023 B12R1.464 CCCOC(=O)CSCC1CC1 62a_100000756562_200011215008 [0,1,0,1,0,0|1,0,0]=3 19024 B12R1.464 CCCOC(=O)CSCC1CC1 62a_200011215008_100000742324 [0,1,0,1,0,0|1,0,0]=3 19025 B12R1.464 CCCOC(=O)CSCC1CO1 62a_102125554688_200011215008 [0,1,0,1,0,0|2,0,0]=4 19026 B12R1.464 CCCOC(=O)CSCC1CO1 62a_200011215008_102125554688 [0,1,0,1,0,0|2,0,0]=4 19027 B12R1.464 CCCOC(=O)CSCC1CS1 62a_100000031435_200011215008 [0,1,0,1,0,0|2,0,0]=4 19028 B12R1.464 CCCOC(=O)CSCC1CS1 62a_200011215008_100000031435 [0,1,0,1,0,0|2,0,0]=4 19029 B12R1.464 CCCOC(=O)CSC[C@@H]1CO1 62a_100000745022_200011215008 [0,1,0,1,0,0|2,0,0]=4 19030 B12R1.464 CCCOC(=O)CSC[C@@H]1CO1 62a_200011215008_100000745022 [0,1,0,1,0,0|2,0,0]=4 19031 B12R1.464 CCCOC(=O)OCNC1CC1 34a_100000212008_200000139673 [0,1,0,1,0,0|2,0,0]=4 19032 B12R1.464 CCNNC(=O)CSCC1CC1 22a_100000756455_200011316215 [0,1,0,1,0,0|2,0,0]=4 19033 B12R1.464 CCNNC(=O)NCCC1CC1 273464a_100000764129_100000756455 [0,1,0,1,0,0|2,0,0]=4 19034 B12R1.464 CCNNC(=O)NCCC1CC1 512a_100000756455_100000764129 [0,1,0,1,0,0|2,0,0]=4 19035 B12R1.464 CCNNC(=O)NCCC1CC1 512a_100000764129_100000756455 [0,1,0,1,0,0|2,0,0]=4 19036 B12R1.464 CCOCC(=O)CC#CC1CC1 1458a_100000211967_100009895102 [0,1,0,1,0,0|0,0,2]=4 19037 B12R1.464 CCOCC(=O)CCCC1CO1 1458a_100000211967_100000733510 [0,1,0,1,0,0|1,0,0]=3 19038 B12R1.464 CCOCC(=O)NCCC1CC1 1626a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 19039 B12R1.464 CCOCC(=O)NCCC1CC1 240690a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 19040 B12R1.464 CCOCC(=O)NCCC1CC1 527a_100000764129_100000211967 [0,1,0,1,0,0|1,0,0]=3 19041 B12R1.464 CCOCC(=O)NNCC1CC1 22a_100000736359_100000211967 [0,1,0,1,0,0|2,0,0]=4 19042 B12R1.464 CCSCC(=O)CCCC1CO1 1458a_100000230394_100000733510 [0,1,0,1,0,0|1,1,0]=4 19043 B12R1.464 CCSCC(=O)NCCC1CC1 1626a_100000764129_100000230394 [0,1,0,1,0,0|1,1,0]=4 19044 B12R1.464 CCSCC(=O)NCCC1CC1 240690a_100000764129_100000230394 [0,1,0,1,0,0|1,1,0]=4 19045 B12R1.464 CCSCC(=O)NCCC1CC1 527a_100000764129_100000230394 [0,1,0,1,0,0|1,1,0]=4 19046 B12R1.464 COCCC(=O)CCCC1CO1 1458a_100000749529_100000733510 [0,1,0,1,0,0|2,0,0]=4 19047 B12R1.464 COCCC(=O)CSCC1CC1 1458a_200011316215_100000233755 [0,1,0,1,0,0|2,0,0]=4 19048 B12R1.464 COCCC(=O)NCCC1CC1 1626a_100000764129_100000749529 [0,1,0,1,0,0|2,0,0]=4 19049 B12R1.464 COCCC(=O)NCCC1CC1 240690a_100000764129_100000749529 [0,1,0,1,0,0|2,0,0]=4 19050 B12R1.464 COCCC(=O)NCCC1CC1 527a_100000764129_100000749529 [0,1,0,1,0,0|2,0,0]=4 19051 B12R1.464 CSCCC(=O)CCCC1CO1 1458a_100000174002_100000733510 [0,1,0,1,0,0|2,0,0]=4 19052 B12R1.464 CSCCC(=O)CSCC1CC1 1458a_200011316215_100000751147 [0,1,0,1,0,0|2,0,0]=4 19053 B12R1.464 CSCCC(=O)NCCC1CC1 1626a_100000764129_100000174002 [0,1,0,1,0,0|2,0,0]=4 19054 B12R1.464 CSCCC(=O)NCCC1CC1 240690a_100000764129_100000174002 [0,1,0,1,0,0|2,0,0]=4 19055 B12R1.464 CSCCC(=O)NCCC1CC1 527a_100000764129_100000174002 [0,1,0,1,0,0|2,0,0]=4 19056 B12R1.464 O=C(CCCF)CSCC1CC1 1458a_200011316215_100011934791 [0,1,0,1,0,0|2,0,0]=4 19057 B12R1.464 O=C(CCCO)CSCC1CC1 1458a_200011316215_100011215043 [0,1,0,1,0,0|2,0,0]=4 19058 B12R1.464 O=C(CNCC1CC1)NCCF 2230a_100000725713_100000742324 [0,1,0,1,0,0|2,0,0]=4 19059 B12R1.464 O=C(CSCC1CC1)NCCF 11a_100000724931_200011316215 [0,1,0,1,0,0|2,0,0]=4 19060 B12R1.464 O=C(CSCC1CC1)NCCF 1626a_100000724931_200011316215 [0,1,0,1,0,0|2,0,0]=4 19061 B12R1.464 O=C(CSCC1CC1)NCCF 240690a_100000724931_200011316215 [0,1,0,1,0,0|2,0,0]=4 19062 B12R1.464 O=C(CSCC1CC1)NCCF 527a_100000724931_200011316215 [0,1,0,1,0,0|2,0,0]=4 19063 B12R1.464 O=C(CSCC1CC1)NCCO 240690a_100000210304_200011316215 [0,1,0,1,0,0|2,0,0]=4 19064 B12R1.464 O=C(CSCC1CC1)NCCO 527a_100000210304_200011316215 [0,1,0,1,0,0|2,0,0]=4 19065 B12R1.464 O=C(NCCF)NCCC1CC1 2708a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 19066 B12R1.464 O=C(NCCF)NCCC1CC1 273464a_100000724931_100000764129 [0,1,0,1,0,0|2,0,0]=4 19067 B12R1.464 O=C(NCCF)NCCC1CC1 273464a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 19068 B12R1.464 O=C(NCCF)NCCC1CC1 512a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 19069 B12R1.464 O=C(NCCO)NCCC1CC1 2708a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 19070 B12R1.464 O=C(NCCO)NCCC1CC1 273464a_100000210304_100000764129 [0,1,0,1,0,0|2,0,0]=4 19071 B12R1.464 O=C(NCCO)NCCC1CC1 273464a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 19072 B12R1.464 O=C(NCCO)NCCC1CC1 512a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 19073 B12R1.549 CCCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_200011215008 [0,1,0,1,0,0|2,0,0]=4 19074 B12R1.549 CCCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_200011215008 [0,1,0,1,0,0|2,0,0]=4 19075 B12R1.549 CCCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_200011215008 [0,1,0,1,0,0|2,0,0]=4 19076 B12R1.561 C#CCCCCC(=O)C1CCO1 1458a_100000089072_100010269958 [0,1,0,1,0,0|0,0,2]=4 19077 B12R1.561 C=CCCCCC(=O)C1CCO1 1458a_100000089072_100011215482 [0,1,0,1,0,0|0,0,2]=4 19078 B12R1.561 CC/C=C\CCC(=O)C1CCO1 1458a_100000089072_100015370543 [0,1,0,1,0,0|0,0,2]=4 19079 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [0,1,0,1,0,0|1,0,0]=3 19080 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [0,1,0,1,0,0|1,0,0]=3 19081 B12R1.561 CCCCCCC(=O)C1CCO1 1458a_100000089072_100000210757 [0,1,0,1,0,0|0,0,0]=2 19082 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100000758290_100000210757 [0,1,0,1,0,0|1,0,0]=3 19083 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100102632555_100000687716 [0,1,0,1,0,0|1,0,0]=3 19084 B12R1.561 CCCCCCC(=O)N1CCC1 11a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 19085 B12R1.561 CCCCCCC(=O)N1CCC1 240690a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 19086 B12R1.561 CCCCCCC(=O)N1CCC1 527a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 19087 B12R1.561 CCCCCNC(=O)C1CCC1 11a_100000209983_100000209988 [0,1,0,1,0,0|2,0,0]=4 19088 B12R1.561 CCCCCNC(=O)C1CCC1 1626a_100000209983_100000209988 [0,1,0,1,0,0|2,0,0]=4 19089 B12R1.561 CCCCCNC(=O)C1CCC1 240690a_100000209983_100000209988 [0,1,0,1,0,0|2,0,0]=4 19090 B12R1.561 CCCCCNC(=O)C1CCC1 527a_100000209983_100000209988 [0,1,0,1,0,0|2,0,0]=4 19091 B12R1.561 CCCCCNC(=O)C1CCO1 11a_100000209983_100000089072 [0,1,0,1,0,0|1,0,0]=3 19092 B12R1.561 CCCCCNC(=O)C1CCO1 1626a_100000209983_100000089072 [0,1,0,1,0,0|1,0,0]=3 19093 B12R1.561 CCCCCNC(=O)C1CCO1 240690a_100000209983_100000089072 [0,1,0,1,0,0|1,0,0]=3 19094 B12R1.561 CCCCCNC(=O)C1CCO1 527a_100000209983_100000089072 [0,1,0,1,0,0|1,0,0]=3 19095 B12R1.561 CCCCCNC(=O)C1COC1 11a_100000209983_100000758290 [0,1,0,1,0,0|2,0,0]=4 19096 B12R1.561 CCCCCNC(=O)C1COC1 1626a_100000209983_100000758290 [0,1,0,1,0,0|2,0,0]=4 19097 B12R1.561 CCCCCNC(=O)C1COC1 240690a_100000209983_100000758290 [0,1,0,1,0,0|2,0,0]=4 19098 B12R1.561 CCCCCNC(=O)C1COC1 527a_100000209983_100000758290 [0,1,0,1,0,0|2,0,0]=4 19099 B12R1.561 CCCCCNC(=O)N1CCC1 2708a_100000209983_100000754969 [0,1,0,1,0,0|2,0,0]=4 19100 B12R1.561 CCCCCNC(=O)N1CCC1 273464a_100000209983_100000754969 [0,1,0,1,0,0|2,0,0]=4 19101 B12R1.561 CCCCNCC(=O)C1CCC1 2230a_100000102301_100000686122 [0,1,0,1,0,0|2,0,0]=4 19102 B12R1.561 CCCCNCC(=O)C1CCC1 7a_106832991798_100000686122 [0,1,0,1,0,0|2,0,0]=4 19103 B12R1.561 CCCCNCC(=O)N1CCC1 2230a_100000102301_100000185095 [0,1,0,1,0,0|2,0,0]=4 19104 B12R1.561 CCCCNCC(=O)N1CCC1 7a_106832991798_100000185095 [0,1,0,1,0,0|2,0,0]=4 19105 B12R1.561 CCCCNNC(=O)C1CCO1 22a_100025702795_100000089072 [0,1,0,1,0,0|2,0,0]=4 19106 B12R1.561 CCCCOCC(=O)C1CCC1 1458a_100000209988_100011995733 [0,1,0,1,0,0|2,0,0]=4 19107 B12R1.561 CCCCOCC(=O)C1CCC1 1458a_100000757543_100000749161 [0,1,0,1,0,0|2,0,0]=4 19108 B12R1.561 CCCCOCC(=O)C1CCC1 34a_100000210227_100000686122 [0,1,0,1,0,0|2,0,0]=4 19109 B12R1.561 CCCCOCC(=O)C1CCC1 7a_100000210227_100000686122 [0,1,0,1,0,0|2,0,0]=4 19110 B12R1.561 CCCCOCC(=O)C1CCO1 1458a_100000089072_100011995733 [0,1,0,1,0,0|1,0,0]=3 19111 B12R1.561 CCCCOCC(=O)C1COC1 1458a_100000757543_100000687716 [0,1,0,1,0,0|2,0,0]=4 19112 B12R1.561 CCCCOCC(=O)C1COC1 1458a_100000758290_100011995733 [0,1,0,1,0,0|2,0,0]=4 19113 B12R1.561 CCCCOCC(=O)N1CCC1 11a_100000754969_100000757543 [0,1,0,1,0,0|2,0,0]=4 19114 B12R1.561 CCCCOCC(=O)N1CCC1 240690a_100000754969_100000757543 [0,1,0,1,0,0|2,0,0]=4 19115 B12R1.561 CCCCOCC(=O)N1CCC1 34a_100000210227_100000185095 [0,1,0,1,0,0|2,0,0]=4 19116 B12R1.561 CCCCOCC(=O)N1CCC1 527a_100000754969_100000757543 [0,1,0,1,0,0|2,0,0]=4 19117 B12R1.561 CCCCOCC(=O)N1CCC1 7a_100000210227_100000185095 [0,1,0,1,0,0|2,0,0]=4 19118 B12R1.561 CCCCSCC(=O)C1CCC1 1458a_100000191162_100000749161 [0,1,0,1,0,0|2,0,0]=4 19119 B12R1.561 CCCCSCC(=O)C1CCC1 62a_100000210211_100000686122 [0,1,0,1,0,0|2,0,0]=4 19120 B12R1.561 CCCCSCC(=O)C1CCC1 62a_100000686122_100000210210 [0,1,0,1,0,0|2,0,0]=4 19121 B12R1.561 CCCCSCC(=O)C1COC1 1458a_100000191162_100000687716 [0,1,0,1,0,0|2,0,0]=4 19122 B12R1.561 CCCCSCC(=O)N1CCC1 11a_100000754969_100000191162 [0,1,0,1,0,0|2,0,0]=4 19123 B12R1.561 CCCCSCC(=O)N1CCC1 240690a_100000754969_100000191162 [0,1,0,1,0,0|2,0,0]=4 19124 B12R1.561 CCCCSCC(=O)N1CCC1 527a_100000754969_100000191162 [0,1,0,1,0,0|2,0,0]=4 19125 B12R1.561 CCCCSCC(=O)N1CCC1 62a_100000185095_100000210210 [0,1,0,1,0,0|2,0,0]=4 19126 B12R1.561 CCCCSCC(=O)N1CCC1 62a_100000210211_100000185095 [0,1,0,1,0,0|2,0,0]=4 19127 B12R1.561 CCCOCCC(=O)C1CCC1 1458a_100000209988_100011215938 [0,1,0,1,0,0|2,0,0]=4 19128 B12R1.561 CCCOCCC(=O)C1CCO1 1458a_100000089072_100011215938 [0,1,0,1,0,0|1,0,0]=3 19129 B12R1.561 CCCOCCC(=O)C1COC1 1458a_100000758290_100011215938 [0,1,0,1,0,0|2,0,0]=4 19130 B12R1.561 CCOCCCC(=O)C1CCC1 1458a_100000209988_100012232248 [0,1,0,1,0,0|2,0,0]=4 19131 B12R1.561 CCOCCCC(=O)C1CCO1 1458a_100000089072_100012232248 [0,1,0,1,0,0|1,0,0]=3 19132 B12R1.561 CCOCCCC(=O)C1COC1 1458a_100000758290_100012232248 [0,1,0,1,0,0|2,0,0]=4 19133 B12R1.561 CCOCCNC(=O)C1CCO1 11a_100011200944_100000089072 [0,1,0,1,0,0|2,0,0]=4 19134 B12R1.561 CCOCCNC(=O)C1CCO1 1626a_102516460346_100000089072 [0,1,0,1,0,0|2,0,0]=4 19135 B12R1.561 CCOCCNC(=O)C1CCO1 240690a_100011200944_100000089072 [0,1,0,1,0,0|2,0,0]=4 19136 B12R1.561 CCOCCNC(=O)C1CCO1 527a_100011200944_100000089072 [0,1,0,1,0,0|2,0,0]=4 19137 B12R1.561 CCSCCNC(=O)C1CCO1 11a_100000106463_100000089072 [0,1,0,1,0,0|2,0,0]=4 19138 B12R1.561 CCSCCNC(=O)C1CCO1 1626a_100000106463_100000089072 [0,1,0,1,0,0|2,0,0]=4 19139 B12R1.561 CCSCCNC(=O)C1CCO1 240690a_100000106463_100000089072 [0,1,0,1,0,0|2,0,0]=4 19140 B12R1.561 CCSCCNC(=O)C1CCO1 527a_100000106463_100000089072 [0,1,0,1,0,0|2,0,0]=4 19141 B12R1.561 COCCCCC(=O)C1CCC1 1458a_100000209988_100000755781 [0,1,0,1,0,0|2,0,0]=4 19142 B12R1.561 COCCCCC(=O)C1CCO1 1458a_100000089072_100000755781 [0,1,0,1,0,0|1,0,0]=3 19143 B12R1.561 COCCCCC(=O)C1COC1 1458a_100000758290_100000755781 [0,1,0,1,0,0|2,0,0]=4 19144 B12R1.561 COCCCNC(=O)C1CCO1 1626a_100150723488_100000089072 [0,1,0,1,0,0|2,0,0]=4 19145 B12R1.561 COCCCNC(=O)C1CCO1 240690a_100150723488_100000089072 [0,1,0,1,0,0|2,0,0]=4 19146 B12R1.561 COCCCNC(=O)C1CCO1 527a_100150723488_100000089072 [0,1,0,1,0,0|2,0,0]=4 19147 B12R1.561 CSCCCNC(=O)C1CCO1 11a_100000749238_100000089072 [0,1,0,1,0,0|2,0,0]=4 19148 B12R1.561 CSCCCNC(=O)C1CCO1 1626a_100000749238_100000089072 [0,1,0,1,0,0|2,0,0]=4 19149 B12R1.561 CSCCCNC(=O)C1CCO1 240690a_100000749238_100000089072 [0,1,0,1,0,0|2,0,0]=4 19150 B12R1.561 CSCCCNC(=O)C1CCO1 527a_100000749238_100000089072 [0,1,0,1,0,0|2,0,0]=4 19151 B12R1.561 N#CCCCCC(=O)C1CCO1 1458a_100000089072_100000211819 [0,1,0,1,0,0|1,0,1]=4 19152 B12R1.561 O=C(CCCCCF)C1CCC1 1458a_100000209988_100000729378 [0,1,0,1,0,0|2,0,0]=4 19153 B12R1.561 O=C(CCCCCF)C1CCO1 1458a_100000089072_100000729378 [0,1,0,1,0,0|1,0,0]=3 19154 B12R1.561 O=C(CCCCCF)C1COC1 1458a_100000758290_100000729378 [0,1,0,1,0,0|2,0,0]=4 19155 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100000209988_100000746330 [0,1,0,1,0,0|2,0,0]=4 19156 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100102619762_100000749161 [0,1,0,1,0,0|2,0,0]=4 19157 B12R1.561 O=C(CCCCCO)C1CCO1 1458a_100000089072_100000746330 [0,1,0,1,0,0|1,0,0]=3 19158 B12R1.561 O=C(CCCCCO)C1COC1 1458a_100000758290_100000746330 [0,1,0,1,0,0|2,0,0]=4 19159 B12R1.561 O=C(CCCCCO)C1COC1 1458a_100102619762_100000687716 [0,1,0,1,0,0|2,0,0]=4 19160 B12R1.561 O=C(CCCCCO)N1CCC1 240690a_100000754969_100102619762 [0,1,0,1,0,0|2,0,0]=4 19161 B12R1.561 O=C(CCOCCO)C1CCO1 1458a_100000089072_100011215305 [0,1,0,1,0,0|2,0,0]=4 19162 B12R1.561 O=C(NCCCCO)C1CCO1 240690a_100000750430_100000089072 [0,1,0,1,0,0|2,0,0]=4 19163 B12R1.561 O=C(NCCCCO)C1CCO1 527a_100000750430_100000089072 [0,1,0,1,0,0|2,0,0]=4 19164 B12R1.567 CCCCOC1C(=O)COC1=O 34a_100000210227_100000032967 [0,1,0,1,0,0|1,0,1]=4 19165 B12R1.567 CCCCSC1C(=O)COC1=O 62a_100000210211_100000032967 [0,1,0,1,0,0|1,0,1]=4 19166 B12R1.925 C=C(CN1CCC1C)OCOC 269982a_100000755817_100000042856 [0,1,0,1,0,0|2,0,0]=4 19167 B12R1.925 C=C(CN1CCC1C)OCOC 34a_100000755817_100000042856 [0,1,0,1,0,0|2,0,0]=4 19168 B12R1.925 C=CCOC(=O)CN1CCC1C 269982a_100000755817_100000033060 [0,1,0,1,0,0|1,0,1]=4 19169 B12R1.925 C=CCOC(=O)CN1CCC1C 34a_100000755817_100000033060 [0,1,0,1,0,0|1,0,1]=4 19170 B12R1.925 CCCNC(=O)CN1CCC1C 269982a_100000755817_100000183358 [0,1,0,1,0,0|2,0,0]=4 19171 B12R1.925 CCCNC(=O)CN1CCC1C 34a_100000755817_100000183358 [0,1,0,1,0,0|2,0,0]=4 19172 B12R1.925 CCCOC(=O)CN1CCC1C 269982a_100000755817_200011215008 [0,1,0,1,0,0|1,0,0]=3 19173 B12R1.925 CCCOC(=O)CN1CCC1C 34a_100000755817_200011215008 [0,1,0,1,0,0|1,0,0]=3 19174 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 19175 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 19176 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210303 [0,1,0,1,0,0|2,0,0]=4 19177 B12R1.1785 CC1(CCCCCC1)OCCF 34a_100000708895_100011217306 [0,1,0,1,0,0|1,0,1]=4 19178 B12R1.1785 CC1(CCCCCC1)OCCF 7a_100000708895_100011217306 [0,1,0,1,0,0|1,0,1]=4 19179 B12R1.1785 CC1(CCCCCC1)OCCO 34a_100000708895_100000211926 [0,1,0,1,0,0|1,0,1]=4 19180 B12R1.1785 CC1(CCCCCC1)OCCO 7a_100000708895_100000211926 [0,1,0,1,0,0|1,0,1]=4 19181 B12R1.1785 CCCOC1(CCCCCC1)C 34a_100000708895_100000210303 [0,1,0,1,0,0|1,0,1]=4 19182 B12R1.1785 CCCOC1(CCCCCC1)C 7a_100000708895_100000210303 [0,1,0,1,0,0|1,0,1]=4 19183 B12R1.1785 CSCOC1(CCCCCC1)C 34a_100000708895_100011218213 [0,1,0,1,0,0|1,0,1]=4 19184 B12R1.34 C/C=C(\C)/C(=O)C1CCCCC1 1458a_100020587367_100000210327 [0,1,0,1,0,0|1,0,1]=4 19185 B12R1.34 CCC(=O)C(=O)N1CCCCC1 1458a_200011297168_100000210202 [0,1,0,1,0,0|2,0,0]=4 19186 B12R1.34 CCC(C)C(=O)C1CCCCC1 1458a_100000210647_100000758301 [0,1,0,1,0,0|1,0,0]=3 19187 B12R1.34 CCC(C)C(=O)C1CCCCC1 1458a_100011192722_100000210327 [0,1,0,1,0,0|1,0,0]=3 19188 B12R1.34 CCC(C)C(=O)C1CCCCO1 1458a_100000748299_100000758301 [0,1,0,1,0,0|2,0,0]=4 19189 B12R1.34 CCC(C)C(=O)C1CCCOC1 1458a_100000741522_100000758301 [0,1,0,1,0,0|2,0,0]=4 19190 B12R1.34 CCC(C)C(=O)C1CCCOC1 1458a_100011192722_100000693364 [0,1,0,1,0,0|2,0,0]=4 19191 B12R1.34 CCC(C)C(=O)C1CCOCC1 1458a_100000195482_100000758301 [0,1,0,1,0,0|2,0,0]=4 19192 B12R1.34 CCC(C)C(=O)C1CCOCC1 1458a_100011192722_100011324220 [0,1,0,1,0,0|2,0,0]=4 19193 B12R1.34 CCC(C)C(=O)C1CCSCC1 1458a_100000755232_100000758301 [0,1,0,1,0,0|2,0,0]=4 19194 B12R1.34 CCC(O)C(=O)C1CCCCC1 1458a_100011196387_100000210327 [0,1,0,1,0,0|1,0,0]=3 19195 B12R1.34 CCC(O)C(=O)C1CCCOC1 1458a_100011196387_100000693364 [0,1,0,1,0,0|2,0,0]=4 19196 B12R1.34 CCC(O)C(=O)C1CCOCC1 1458a_100011196387_100011324220 [0,1,0,1,0,0|2,0,0]=4 19197 B12R1.34 CCN(C)C(=O)C1CCCCC1 11a_100000225621_100000210647 [0,1,0,1,0,0|1,0,0]=3 19198 B12R1.34 CCN(C)C(=O)C1CCCCC1 1626a_100000225621_100000210647 [0,1,0,1,0,0|1,0,0]=3 19199 B12R1.34 CCN(C)C(=O)C1CCCCC1 240690a_100000225621_100000210647 [0,1,0,1,0,0|1,0,0]=3 19200 B12R1.34 CCN(C)C(=O)C1CCCCC1 527a_100000225621_100000210647 [0,1,0,1,0,0|1,0,0]=3 19201 B12R1.34 CCN(C)C(=O)C1CCCCO1 11a_100000225621_100000748299 [0,1,0,1,0,0|2,0,0]=4 19202 B12R1.34 CCN(C)C(=O)C1CCCCO1 1626a_100000225621_100000748299 [0,1,0,1,0,0|2,0,0]=4 19203 B12R1.34 CCN(C)C(=O)C1CCCCO1 240690a_100000225621_100000748299 [0,1,0,1,0,0|2,0,0]=4 19204 B12R1.34 CCN(C)C(=O)C1CCCCO1 527a_100000225621_100000748299 [0,1,0,1,0,0|2,0,0]=4 19205 B12R1.34 CCN(C)C(=O)C1CCCOC1 11a_100000225621_100000741522 [0,1,0,1,0,0|2,0,0]=4 19206 B12R1.34 CCN(C)C(=O)C1CCCOC1 1626a_100000225621_100000741522 [0,1,0,1,0,0|2,0,0]=4 19207 B12R1.34 CCN(C)C(=O)C1CCCOC1 240690a_100000225621_100000741522 [0,1,0,1,0,0|2,0,0]=4 19208 B12R1.34 CCN(C)C(=O)C1CCCOC1 527a_100000225621_100000741522 [0,1,0,1,0,0|2,0,0]=4 19209 B12R1.34 CCN(C)C(=O)C1CCOCC1 11a_100000225621_100000195482 [0,1,0,1,0,0|2,0,0]=4 19210 B12R1.34 CCN(C)C(=O)C1CCOCC1 1626a_100000225621_100000195482 [0,1,0,1,0,0|2,0,0]=4 19211 B12R1.34 CCN(C)C(=O)C1CCOCC1 240690a_100000225621_100000195482 [0,1,0,1,0,0|2,0,0]=4 19212 B12R1.34 CCN(C)C(=O)C1CCOCC1 527a_100000225621_100000195482 [0,1,0,1,0,0|2,0,0]=4 19213 B12R1.34 CCN(C)C(=O)C1CCSCC1 11a_100000225621_100000755232 [0,1,0,1,0,0|2,0,0]=4 19214 B12R1.34 CCN(C)C(=O)C1CCSCC1 1626a_100000225621_100000755232 [0,1,0,1,0,0|2,0,0]=4 19215 B12R1.34 CCN(C)C(=O)C1CCSCC1 240690a_100000225621_100000755232 [0,1,0,1,0,0|2,0,0]=4 19216 B12R1.34 CCN(C)C(=O)C1CCSCC1 527a_100000225621_100000755232 [0,1,0,1,0,0|2,0,0]=4 19217 B12R1.34 CNC(=O)C(=O)C1CCCCC1 1458a_100011218921_100000210327 [0,1,0,1,0,0|2,0,0]=4 19218 B12R1.34 COC(C)C(=O)C1CCCCC1 1458a_100000743197_100000210327 [0,1,0,1,0,0|2,0,0]=4 19219 B12R1.34 CSC(C)C(=O)C1CCCCC1 1458a_100000149566_100000210327 [0,1,0,1,0,0|2,0,0]=4 19220 B12R1.34 O=C(C(O)CO)C1CCCCC1 1458a_100011215603_100000210327 [0,1,0,1,0,0|2,0,0]=4 19221 B12R1.108 C/C=C(\C)/C(=O)CC1CCCC1 1458a_100020587367_100000740388 [0,1,0,1,0,0|1,0,1]=4 19222 B12R1.108 CCC(C)C(=O)CC1CCCC1 1458a_100000210891_100000758301 [0,1,0,1,0,0|1,0,0]=3 19223 B12R1.108 CCC(C)C(=O)CC1CCCC1 1458a_100011192722_100000740388 [0,1,0,1,0,0|1,0,0]=3 19224 B12R1.108 CCC(C)C(=O)CC1CCCO1 1458a_100011192722_100000203698 [0,1,0,1,0,0|2,0,0]=4 19225 B12R1.108 CCC(C)C(=O)CC1CCOC1 1458a_100011192722_100000702531 [0,1,0,1,0,0|2,0,0]=4 19226 B12R1.108 CCC(C)C(=O)CC1CCOC1 1458a_100011218419_100000758301 [0,1,0,1,0,0|2,0,0]=4 19227 B12R1.108 CCC(C)C(=O)CN1CCCC1 1458a_100000740243_100000758301 [0,1,0,1,0,0|2,0,0]=4 19228 B12R1.108 CCC(C)C(=O)NC1CCCC1 11a_100000211070_100011192722 [0,1,0,1,0,0|2,0,0]=4 19229 B12R1.108 CCC(C)C(=O)NC1CCCC1 1626a_100000211070_100011192722 [0,1,0,1,0,0|2,0,0]=4 19230 B12R1.108 CCC(C)C(=O)NC1CCCC1 240690a_100000211070_100011192722 [0,1,0,1,0,0|2,0,0]=4 19231 B12R1.108 CCC(C)C(=O)NC1CCCC1 527a_100000211070_100011192722 [0,1,0,1,0,0|2,0,0]=4 19232 B12R1.108 CCC(O)C(=O)CC1CCCC1 1458a_100011196387_100000740388 [0,1,0,1,0,0|1,0,0]=3 19233 B12R1.108 CCC(O)C(=O)CC1CCCO1 1458a_100011196387_100000203698 [0,1,0,1,0,0|2,0,0]=4 19234 B12R1.108 CCC(O)C(=O)CC1CCOC1 1458a_100011196387_100000702531 [0,1,0,1,0,0|2,0,0]=4 19235 B12R1.108 CCC(O)C(=O)NC1CCCC1 240690a_100000211070_100011196387 [0,1,0,1,0,0|2,0,0]=4 19236 B12R1.108 CCN(C)C(=O)CC1CCCC1 11a_100000225621_100000210891 [0,1,0,1,0,0|1,0,0]=3 19237 B12R1.108 CCN(C)C(=O)CC1CCCC1 1626a_100000225621_100000210891 [0,1,0,1,0,0|1,0,0]=3 19238 B12R1.108 CCN(C)C(=O)CC1CCCC1 240690a_100000225621_100000210891 [0,1,0,1,0,0|1,0,0]=3 19239 B12R1.108 CCN(C)C(=O)CC1CCCC1 527a_100000225621_100000210891 [0,1,0,1,0,0|1,0,0]=3 19240 B12R1.108 CCN(C)C(=O)CC1CCOC1 11a_100000225621_100011218419 [0,1,0,1,0,0|2,0,0]=4 19241 B12R1.108 CCN(C)C(=O)CC1CCOC1 1626a_100000225621_100011218419 [0,1,0,1,0,0|2,0,0]=4 19242 B12R1.108 CCN(C)C(=O)CC1CCOC1 240690a_100000225621_100011218419 [0,1,0,1,0,0|2,0,0]=4 19243 B12R1.108 CCN(C)C(=O)CC1CCOC1 527a_100000225621_100011218419 [0,1,0,1,0,0|2,0,0]=4 19244 B12R1.108 CCN(C)C(=O)CN1CCCC1 2230a_100000188435_100000738999 [0,1,0,1,0,0|2,0,0]=4 19245 B12R1.108 CCN(C)C(=O)CN1CCCC1 240690a_100000225621_100000740243 [0,1,0,1,0,0|2,0,0]=4 19246 B12R1.108 CCN(C)C(=O)CN1CCCC1 269982a_100000188435_100000738999 [0,1,0,1,0,0|2,0,0]=4 19247 B12R1.108 CCN(C)C(=O)CN1CCCC1 527a_100000225621_100000740243 [0,1,0,1,0,0|2,0,0]=4 19248 B12R1.108 CCN(C)C(=O)NC1CCCC1 2708a_100000211070_100000225621 [0,1,0,1,0,0|2,0,0]=4 19249 B12R1.108 CCN(C)C(=O)NC1CCCC1 273464a_100000211070_100000225621 [0,1,0,1,0,0|2,0,0]=4 19250 B12R1.108 CNC(=O)C(=O)CC1CCCC1 1458a_100011218921_100000740388 [0,1,0,1,0,0|2,0,0]=4 19251 B12R1.108 COC(C)C(=O)CC1CCCC1 1458a_100000743197_100000740388 [0,1,0,1,0,0|2,0,0]=4 19252 B12R1.108 CSC(C)C(=O)CC1CCCC1 1458a_100000149566_100000740388 [0,1,0,1,0,0|2,0,0]=4 19253 B12R1.108 O=C(CC1CCCC1)C(O)CO 1458a_100011215603_100000740388 [0,1,0,1,0,0|2,0,0]=4 19254 B12R1.385 CCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210211 [0,1,0,1,0,0|2,0,0]=4 19255 B12R1.385 CCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210211 [0,1,0,1,0,0|2,0,0]=4 19256 B12R1.385 CCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210303 [0,1,0,1,0,0|2,0,0]=4 19257 B12R1.385 CCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210303 [0,1,0,1,0,0|2,0,0]=4 19258 B12R1.468 CCC(C)C(=O)C1CCCC1C 1458a_100000690547_100000758301 [0,1,0,1,0,0|1,0,0]=3 19259 B12R1.468 CCC(C)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100011192722 [0,1,0,1,0,0|2,0,0]=4 19260 B12R1.468 CCC(C)C(=O)N1CCC[C@@H]1C 527a_100020605311_100011192722 [0,1,0,1,0,0|2,0,0]=4 19261 B12R1.468 CCC(C)C(=O)N1CCC[C@H]1C 11a_100015189458_100011192722 [0,1,0,1,0,0|2,0,0]=4 19262 B12R1.468 CCC(C)C(=O)N1CCC[C@H]1C 240690a_100015189458_100011192722 [0,1,0,1,0,0|2,0,0]=4 19263 B12R1.468 CCC(C)C(=O)N1CCC[C@H]1C 527a_100015189458_100011192722 [0,1,0,1,0,0|2,0,0]=4 19264 B12R1.468 CCC(C)C(=O)[C@@H]1CCCN1C 1458a_100009816429_100000758301 [0,1,0,1,0,0|2,0,0]=4 19265 B12R1.468 CCC(O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100011196387 [0,1,0,1,0,0|2,0,0]=4 19266 B12R1.468 CCC(O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100011196387 [0,1,0,1,0,0|2,0,0]=4 19267 B12R1.468 CCN(C)C(=O)C1CCCC1C 11a_100000225621_100000690547 [0,1,0,1,0,0|1,0,0]=3 19268 B12R1.468 CCN(C)C(=O)C1CCCC1C 1626a_100000225621_100000690547 [0,1,0,1,0,0|1,0,0]=3 19269 B12R1.468 CCN(C)C(=O)C1CCCC1C 240690a_100000225621_100000690547 [0,1,0,1,0,0|1,0,0]=3 19270 B12R1.468 CCN(C)C(=O)C1CCCC1C 527a_100000225621_100000690547 [0,1,0,1,0,0|1,0,0]=3 19271 B12R1.468 CCN(C)C(=O)[C@@H]1CCCN1C 11a_100000225621_100009816429 [0,1,0,1,0,0|2,0,0]=4 19272 B12R1.468 CCN(C)C(=O)[C@@H]1CCCN1C 240690a_100000225621_100009816429 [0,1,0,1,0,0|2,0,0]=4 19273 B12R1.468 CCN(C)C(=O)[C@@H]1CCCN1C 527a_100000225621_100009816429 [0,1,0,1,0,0|2,0,0]=4 19274 B12R1.470 CCC(C)C(=O)NCC1CCC1 11a_100000738700_100011192722 [0,1,0,1,0,0|2,0,0]=4 19275 B12R1.470 CCC(C)C(=O)NCC1CCC1 1626a_100000738700_100011192722 [0,1,0,1,0,0|2,0,0]=4 19276 B12R1.470 CCC(C)C(=O)NCC1CCC1 240690a_100000738700_100011192722 [0,1,0,1,0,0|2,0,0]=4 19277 B12R1.470 CCC(C)C(=O)NCC1CCC1 527a_100000738700_100011192722 [0,1,0,1,0,0|2,0,0]=4 19278 B12R1.470 CCC(O)C(=O)NCC1CCC1 240690a_100000738700_100011196387 [0,1,0,1,0,0|2,0,0]=4 19279 B12R1.470 CCN(C)C(=O)CNC1CCC1 2230a_100000749019_100000738999 [0,1,0,1,0,0|2,0,0]=4 19280 B12R1.470 CCN(C)C(=O)CNC1CCC1 34a_100000749019_100000738999 [0,1,0,1,0,0|2,0,0]=4 19281 B12R1.470 CCN(C)C(=O)COC1CCC1 34a_100000748187_100000738999 [0,1,0,1,0,0|2,0,0]=4 19282 B12R1.470 CCN(C)C(=O)CSC1CCC1 62a_100000738999_100000749161 [0,1,0,1,0,0|2,0,0]=4 19283 B12R1.470 CCN(C)C(=O)NCC1CCC1 2708a_100000738700_100000225621 [0,1,0,1,0,0|2,0,0]=4 19284 B12R1.470 CCN(C)C(=O)NCC1CCC1 273464a_100000738700_100000225621 [0,1,0,1,0,0|2,0,0]=4 19285 B12R1.471 CCC(C)C(=O)CCCC1CO1 1458a_100011192722_100000733510 [0,1,0,1,0,0|2,0,0]=4 19286 B12R1.471 CCC(C)C(=O)CSCC1CC1 1458a_200011316215_100000758301 [0,1,0,1,0,0|2,0,0]=4 19287 B12R1.471 CCC(C)C(=O)NCCC1CC1 1626a_100000764129_100011192722 [0,1,0,1,0,0|2,0,0]=4 19288 B12R1.471 CCC(C)C(=O)NCCC1CC1 240690a_100000764129_100011192722 [0,1,0,1,0,0|2,0,0]=4 19289 B12R1.471 CCC(C)C(=O)NCCC1CC1 527a_100000764129_100011192722 [0,1,0,1,0,0|2,0,0]=4 19290 B12R1.471 CCC(O)C(=O)CCCC1CO1 1458a_100011196387_100000733510 [0,1,0,1,0,0|2,0,0]=4 19291 B12R1.471 CCC(O)C(=O)NCCC1CC1 240690a_100000764129_100011196387 [0,1,0,1,0,0|2,0,0]=4 19292 B12R1.471 CCN(C)C(=O)CNCC1CC1 2230a_100000735609_100000738999 [0,1,0,1,0,0|2,0,0]=4 19293 B12R1.471 CCN(C)C(=O)CNCC1CC1 34a_100000735609_100000738999 [0,1,0,1,0,0|2,0,0]=4 19294 B12R1.471 CCN(C)C(=O)COCC1CC1 34a_100000211283_100000738999 [0,1,0,1,0,0|2,0,0]=4 19295 B12R1.471 CCN(C)C(=O)CSCC1CC1 11a_100000225621_200011316215 [0,1,0,1,0,0|2,0,0]=4 19296 B12R1.471 CCN(C)C(=O)CSCC1CC1 1626a_100000225621_200011316215 [0,1,0,1,0,0|2,0,0]=4 19297 B12R1.471 CCN(C)C(=O)CSCC1CC1 240690a_100000225621_200011316215 [0,1,0,1,0,0|2,0,0]=4 19298 B12R1.471 CCN(C)C(=O)CSCC1CC1 527a_100000225621_200011316215 [0,1,0,1,0,0|2,0,0]=4 19299 B12R1.471 CCN(C)C(=O)CSCC1CC1 62a_100000738999_100000742324 [0,1,0,1,0,0|2,0,0]=4 19300 B12R1.471 CCN(C)C(=O)CSCC1CC1 62a_100000756562_100000738999 [0,1,0,1,0,0|2,0,0]=4 19301 B12R1.471 CCN(C)C(=O)NCCC1CC1 2708a_100000764129_100000225621 [0,1,0,1,0,0|2,0,0]=4 19302 B12R1.471 CCN(C)C(=O)NCCC1CC1 273464a_100000764129_100000225621 [0,1,0,1,0,0|2,0,0]=4 19303 B12R1.527 CCCCNC1CCN(C1=O)C 2230a_100000102301_100000755940 [0,1,0,1,0,0|2,0,0]=4 19304 B12R1.527 CCCCNC1CCN(C1=O)C 7a_106832991798_100000755940 [0,1,0,1,0,0|2,0,0]=4 19305 B12R1.527 CCCCOC1CCN(C1=O)C 34a_100000210227_100000755940 [0,1,0,1,0,0|2,0,0]=4 19306 B12R1.527 CCCCOC1CCN(C1=O)C 7a_100000210227_100000755940 [0,1,0,1,0,0|2,0,0]=4 19307 B12R1.527 CCCCSC1CCN(C1=O)C 62a_100000210211_100000755940 [0,1,0,1,0,0|2,0,0]=4 19308 B12R1.527 CCCCSC1CCN(C1=O)C 62a_100000755940_100000210210 [0,1,0,1,0,0|2,0,0]=4 19309 B12R1.527 CCCOCC1CCN(C1=O)C 34a_100009823153_100000210303 [0,1,0,1,0,0|2,0,0]=4 19310 B12R1.562 CC1(CC1)C(=O)CCCCCF 1458a_100000756474_100000729378 [0,1,0,1,0,0|2,0,0]=4 19311 B12R1.562 CC1(CC1)C(=O)CCCCCO 1458a_100000756474_100000746330 [0,1,0,1,0,0|2,0,0]=4 19312 B12R1.562 CCCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210757 [0,1,0,1,0,0|1,0,0]=3 19313 B12R1.562 CCCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210757 [0,1,0,1,0,0|1,0,0]=3 19314 B12R1.562 CCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210757 [0,1,0,1,0,0|1,0,0]=3 19315 B12R1.562 CCCCCNC(=O)C1(CC1)C 11a_100000209983_100000756474 [0,1,0,1,0,0|2,0,0]=4 19316 B12R1.562 CCCCCNC(=O)C1(CC1)C 1626a_100000209983_100000756474 [0,1,0,1,0,0|2,0,0]=4 19317 B12R1.562 CCCCCNC(=O)C1(CC1)C 240690a_100000209983_100000756474 [0,1,0,1,0,0|2,0,0]=4 19318 B12R1.562 CCCCCNC(=O)C1(CC1)C 527a_100000209983_100000756474 [0,1,0,1,0,0|2,0,0]=4 19319 B12R1.562 CCCCCNC(=O)C1(CC1)F 11a_100000209983_100000055089 [0,1,0,1,0,0|2,0,0]=4 19320 B12R1.562 CCCCCNC(=O)C1(CC1)F 1626a_100000209983_100000055089 [0,1,0,1,0,0|2,0,0]=4 19321 B12R1.562 CCCCCNC(=O)C1(CC1)F 240690a_100000209983_100000055089 [0,1,0,1,0,0|2,0,0]=4 19322 B12R1.562 CCCCCNC(=O)C1(CC1)F 527a_100000209983_100000055089 [0,1,0,1,0,0|2,0,0]=4 19323 B12R1.562 CCCCCNC(=O)C1(CC1)O 240690a_100000209983_100000241761 [0,1,0,1,0,0|2,0,0]=4 19324 B12R1.562 CCCCOCC(=O)C1(CC1)C 1458a_100000756474_100011995733 [0,1,0,1,0,0|2,0,0]=4 19325 B12R1.562 CCCCOCC(=O)C1(CC1)F 1458a_100000055089_100011995733 [0,1,0,1,0,0|2,0,0]=4 19326 B12R1.562 CCCCOCC(=O)C1(CC1)O 1458a_100000241761_100011995733 [0,1,0,1,0,0|2,0,0]=4 19327 B12R1.562 CCCOCCC(=O)C1(CC1)C 1458a_100000756474_100011215938 [0,1,0,1,0,0|2,0,0]=4 19328 B12R1.562 CCCOCCC(=O)C1(CC1)F 1458a_100000055089_100011215938 [0,1,0,1,0,0|2,0,0]=4 19329 B12R1.562 CCCOCCC(=O)C1(CC1)O 1458a_100000241761_100011215938 [0,1,0,1,0,0|2,0,0]=4 19330 B12R1.562 CCOCCCC(=O)C1(CC1)C 1458a_100000756474_100012232248 [0,1,0,1,0,0|2,0,0]=4 19331 B12R1.562 CCOCCCC(=O)C1(CC1)F 1458a_100000055089_100012232248 [0,1,0,1,0,0|2,0,0]=4 19332 B12R1.562 CCOCCCC(=O)C1(CC1)O 1458a_100000241761_100012232248 [0,1,0,1,0,0|2,0,0]=4 19333 B12R1.562 COCCCCC(=O)C1(CC1)C 1458a_100000756474_100000755781 [0,1,0,1,0,0|2,0,0]=4 19334 B12R1.562 COCCCCC(=O)C1(CC1)F 1458a_100000055089_100000755781 [0,1,0,1,0,0|2,0,0]=4 19335 B12R1.562 COCCCCC(=O)C1(CC1)O 1458a_100000241761_100000755781 [0,1,0,1,0,0|2,0,0]=4 19336 B12R1.562 O=C(CCCCCF)C1(CC1)F 1458a_100000055089_100000729378 [0,1,0,1,0,0|2,0,0]=4 19337 B12R1.562 O=C(CCCCCF)C1(CC1)O 1458a_100000241761_100000729378 [0,1,0,1,0,0|2,0,0]=4 19338 B12R1.562 O=C(CCCCCO)C1(CC1)F 1458a_100000055089_100000746330 [0,1,0,1,0,0|2,0,0]=4 19339 B12R1.562 O=C(CCCCCO)C1(CC1)O 1458a_100000241761_100000746330 [0,1,0,1,0,0|2,0,0]=4 19340 B12R1.840 CCN(C)C(=O)CN1CCC1C 269982a_100000755817_100000738999 [0,1,0,1,0,0|2,0,0]=4 19341 B12R1.840 CCN(C)C(=O)CN1CCC1C 34a_100000755817_100000738999 [0,1,0,1,0,0|2,0,0]=4 19342 B12R1.1096 CCCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210303 [0,1,0,1,0,0|2,0,0]=4 19343 B12R1.1096 CCCN1CCC(=O)N(CC1)C 269982a_100020591582_100000210303 [0,1,0,1,0,0|2,0,0]=4 19344 B12R1.1096 CCCN1CCC(=O)N(CC1)C 34a_100020591582_100000210303 [0,1,0,1,0,0|2,0,0]=4 19345 B12R1.25 CCCCN1CCNC(=O)C1C 2230a_100000750721_100000210211 [0,1,0,1,0,0|2,0,0]=4 19346 B12R1.25 CCCCN1CCNC(=O)C1C 269982a_100000750721_100000210211 [0,1,0,1,0,0|2,0,0]=4 19347 B12R1.25 CCCCN1CCNC(=O)C1C 34a_100000750721_100000210210 [0,1,0,1,0,0|2,0,0]=4 19348 B12R1.55 CCCC(=O)C(C)N1CCCC1 1458a_100025750167_100000210303 [0,1,0,1,0,0|2,0,0]=4 19349 B12R1.55 CCCC(=O)N(C)C1CCCC1 11a_100000207505_100000211992 [0,1,0,1,0,0|2,0,0]=4 19350 B12R1.55 CCCC(=O)N(C)C1CCCC1 1626a_100000207505_100000211992 [0,1,0,1,0,0|2,0,0]=4 19351 B12R1.55 CCCC(=O)N(C)C1CCCC1 240690a_100000207505_100000211992 [0,1,0,1,0,0|2,0,0]=4 19352 B12R1.55 CCCC(=O)N(C)C1CCCC1 527a_100000207505_100000211992 [0,1,0,1,0,0|2,0,0]=4 19353 B12R1.55 CCNC(=O)C(=O)C1CCCC1 1458a_200011297158_100000179811 [0,1,0,1,0,0|1,0,1]=4 19354 B12R1.55 CCNC(=O)C(C)N1CCCC1 2230a_100000188435_100000230173 [0,1,0,1,0,0|2,0,0]=4 19355 B12R1.55 CCNC(=O)C(C)N1CCCC1 240690a_100015525214_100025750167 [0,1,0,1,0,0|2,0,0]=4 19356 B12R1.55 CCNC(=O)C(C)N1CCCC1 269982a_100000188435_100000230173 [0,1,0,1,0,0|2,0,0]=4 19357 B12R1.55 CCNC(=O)C(C)N1CCCC1 527a_100015525214_100025750167 [0,1,0,1,0,0|2,0,0]=4 19358 B12R1.55 CCNC(=O)N(C)C1CCCC1 2708a_100015525214_100000207505 [0,1,0,1,0,0|2,0,0]=4 19359 B12R1.55 CCNC(=O)N(C)C1CCCC1 273464a_100015525214_100000207505 [0,1,0,1,0,0|2,0,0]=4 19360 B12R1.55 CCOC(=O)C(=O)N1CCCC1 240690a_100000188435_100014798877 [0,1,0,1,0,0|1,0,1]=4 19361 B12R1.55 CCOC(=O)C(C)N1CCCC1 2230a_100000188435_100011215307 [0,1,0,1,0,0|1,0,0]=3 19362 B12R1.55 CCOC(=O)C(C)N1CCCC1 269982a_100000188435_100011216346 [0,1,0,1,0,0|1,0,0]=3 19363 B12R1.55 CCOC(=O)C(C)N1CCSC1 2230a_100011215254_100011215307 [0,1,0,1,0,0|2,0,0]=4 19364 B12R1.55 CCOC(=O)C(C)N1CCSC1 269982a_100011215254_100011216346 [0,1,0,1,0,0|2,0,0]=4 19365 B12R1.55 CCOC(=O)C(F)N1CCCC1 2230a_100000188435_100000760018 [0,1,0,1,0,0|1,0,0]=3 19366 B12R1.55 CCOC(=O)C(F)N1CCCC1 269982a_100000188435_100000760018 [0,1,0,1,0,0|1,0,0]=3 19367 B12R1.55 CCOC(=O)C(F)N1CCSC1 2230a_100011215254_100000760018 [0,1,0,1,0,0|2,0,0]=4 19368 B12R1.55 CCOC(=O)C(F)N1CCSC1 269982a_100011215254_100000760018 [0,1,0,1,0,0|2,0,0]=4 19369 B12R1.312 CCCC(=O)C1CCN(C1)CC 1458a_100103286618_100000210303 [0,1,0,1,0,0|2,0,0]=4 19370 B12R1.312 CCNC(=O)C1CCN(C1)CC 11a_100015525214_100103286618 [0,1,0,1,0,0|2,0,0]=4 19371 B12R1.312 CCNC(=O)C1CCN(C1)CC 240690a_100015525214_100103286618 [0,1,0,1,0,0|2,0,0]=4 19372 B12R1.312 CCOC(=O)C1CCC(C1)NC 270004a_106832991635_100000077466 [0,1,0,1,0,0|1,0,0]=3 19373 B12R1.312 CCOC(=O)C1CCN(C1)CC 2230a_100016987290_100000210202 [0,1,0,1,0,0|1,0,0]=3 19374 B12R1.312 CCOC(=O)C1CCN(C1)CC 269982a_100016987290_100000204670 [0,1,0,1,0,0|1,0,0]=3 19375 B12R1.312 CCOC(=O)C1CCN(C1)CF 269982a_100016987290_100015361967 [0,1,0,1,0,0|2,0,0]=4 19376 B12R1.554 CCOC(=O)C(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100011215307 [0,1,0,1,0,0|2,0,0]=4 19377 B12R1.554 CCOC(=O)C(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100011215307 [0,1,0,1,0,0|2,0,0]=4 19378 B12R1.554 CCOC(=O)C(C)N[C@@H]1C[C@H]1F 34a_100025746932_100011216346 [0,1,0,1,0,0|2,0,0]=4 19379 B12R1.554 CCOC(=O)C(F)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000760018 [0,1,0,1,0,0|2,0,0]=4 19380 B12R1.554 CCOC(=O)C(F)N[C@@H]1C[C@H]1F 2230a_100025746932_100000760018 [0,1,0,1,0,0|2,0,0]=4 19381 B12R1.554 CCOC(=O)C(F)N[C@@H]1C[C@H]1F 34a_100025746932_100000760018 [0,1,0,1,0,0|2,0,0]=4 19382 B12R1.555 C=C(CN1CCC1)C(=O)OCC 269982a_100000754969_100000755967 [0,1,0,1,0,0|1,0,1]=4 19383 B12R1.555 CCCC(=O)N(C)CC1CCC1 11a_200000750244_100000211992 [0,1,0,1,0,0|2,0,0]=4 19384 B12R1.555 CCCC(=O)N(C)CC1CCC1 1626a_200000750244_100000211992 [0,1,0,1,0,0|2,0,0]=4 19385 B12R1.555 CCCC(=O)N(C)CC1CCC1 240690a_200000750244_100000211992 [0,1,0,1,0,0|2,0,0]=4 19386 B12R1.555 CCCC(=O)N(C)CC1CCC1 527a_200000750244_100000211992 [0,1,0,1,0,0|2,0,0]=4 19387 B12R1.555 CCNC(=O)C(=O)CC1CCC1 1458a_200011297158_100000763275 [0,1,0,1,0,0|1,0,1]=4 19388 B12R1.555 CCNC(=O)C(C)NC1CCC1 2230a_100000749019_100000230173 [0,1,0,1,0,0|2,0,0]=4 19389 B12R1.555 CCNC(=O)C(C)NC1CCC1 270004a_100000736553_100000241760 [0,1,0,1,0,0|2,0,0]=4 19390 B12R1.555 CCNC(=O)C(C)NC1CCC1 34a_100000736553_100000749161 [0,1,0,1,0,0|2,0,0]=4 19391 B12R1.555 CCNC(=O)C(C)NC1CCC1 34a_100000749019_100000230173 [0,1,0,1,0,0|2,0,0]=4 19392 B12R1.555 CCNC(=O)C(C)OC1CCC1 34a_100000748187_100000230173 [0,1,0,1,0,0|2,0,0]=4 19393 B12R1.555 CCNC(=O)C(C)SC1CCC1 62a_100000230173_100000749161 [0,1,0,1,0,0|2,0,0]=4 19394 B12R1.555 CCNC(=O)N(C)CC1CCC1 2708a_100015525214_200000750244 [0,1,0,1,0,0|2,0,0]=4 19395 B12R1.555 CCNC(=O)N(C)CC1CCC1 273464a_100015525214_200000750244 [0,1,0,1,0,0|2,0,0]=4 19396 B12R1.555 CCOC(=O)C(=O)CN1CCC1 269982a_100000754969_100000211299 [0,1,0,1,0,0|1,0,1]=4 19397 B12R1.555 CCOC(=O)C(=O)NC1CCC1 11a_100000749019_100014798877 [0,1,0,1,0,0|1,0,1]=4 19398 B12R1.555 CCOC(=O)C(=O)NC1CCC1 1626a_100000749019_100014798877 [0,1,0,1,0,0|1,0,1]=4 19399 B12R1.555 CCOC(=O)C(=O)NC1CCC1 240690a_100000749019_100014798877 [0,1,0,1,0,0|1,0,1]=4 19400 B12R1.555 CCOC(=O)C(C)NC1CCC1 2230a_100000749019_100011215307 [0,1,0,1,0,0|1,0,0]=3 19401 B12R1.555 CCOC(=O)C(C)NC1CCC1 34a_100000749019_100011216346 [0,1,0,1,0,0|1,0,0]=3 19402 B12R1.555 CCOC(=O)C(C)NC1COC1 2230a_100016991112_100011215307 [0,1,0,1,0,0|2,0,0]=4 19403 B12R1.555 CCOC(=O)C(C)OC1CCC1 34a_100000748187_100011216346 [0,1,0,1,0,0|1,0,0]=3 19404 B12R1.555 CCOC(=O)C(C)OC1CSC1 7a_100000072292_100011216346 [0,1,0,1,0,0|2,0,0]=4 19405 B12R1.555 CCOC(=O)C(C)SC1CCC1 62a_100011216346_100000749161 [0,1,0,1,0,0|1,0,0]=3 19406 B12R1.555 CCOC(=O)C(C)SC1COC1 62a_100011216346_100009818527 [0,1,0,1,0,0|2,0,0]=4 19407 B12R1.555 CCOC(=O)C(F)NC1CCC1 2230a_100000749019_100000760018 [0,1,0,1,0,0|1,0,0]=3 19408 B12R1.555 CCOC(=O)C(F)NC1CCC1 34a_100000749019_100000760018 [0,1,0,1,0,0|1,0,0]=3 19409 B12R1.555 CCOC(=O)C(F)NC1COC1 2230a_100016991112_100000760018 [0,1,0,1,0,0|2,0,0]=4 19410 B12R1.555 CCOC(=O)C(F)OC1CCC1 34a_100000748187_100000760018 [0,1,0,1,0,0|1,0,0]=3 19411 B12R1.555 CCOC(=O)C(F)OC1CSC1 7a_100000072292_100000040065 [0,1,0,1,0,0|2,0,0]=4 19412 B12R1.555 CCOC(=O)C(F)SC1CCC1 62a_100000760018_100000749161 [0,1,0,1,0,0|1,0,0]=3 19413 B12R1.555 CCOC(=O)C(F)SC1COC1 62a_100000760018_100009818527 [0,1,0,1,0,0|2,0,0]=4 19414 B12R1.555 CCOC(=O)[C@H](C)OC1COC1 7a_100000751109_100009818527 [0,1,0,1,0,0|2,0,0]=4 19415 B12R1.556 C=C(CNC1CC1)C(=O)OCC 34a_100000212008_100000755967 [0,1,0,1,0,0|1,0,1]=4 19416 B12R1.556 C=C(CSC1CC1)C(=O)OCC 62a_100000755967_100000211595 [0,1,0,1,0,0|1,0,1]=4 19417 B12R1.556 CCNC(=O)C(=O)CCC1CC1 1458a_200011297158_100000694398 [0,1,0,1,0,0|1,0,1]=4 19418 B12R1.556 CCNC(=O)C(C)NCC1CC1 2230a_100000735609_100000230173 [0,1,0,1,0,0|2,0,0]=4 19419 B12R1.556 CCNC(=O)C(C)NCC1CC1 2230a_100000736553_100000742324 [0,1,0,1,0,0|2,0,0]=4 19420 B12R1.556 CCNC(=O)C(C)NCC1CC1 34a_100000735609_100000230173 [0,1,0,1,0,0|2,0,0]=4 19421 B12R1.556 CCNC(=O)C(C)NCC1CC1 34a_100000736553_100000742324 [0,1,0,1,0,0|2,0,0]=4 19422 B12R1.556 CCNC(=O)C(C)OCC1CC1 34a_100000211283_100000230173 [0,1,0,1,0,0|2,0,0]=4 19423 B12R1.556 CCNC(=O)C(C)SCC1CC1 62a_100000230173_100000742324 [0,1,0,1,0,0|2,0,0]=4 19424 B12R1.556 CCNC(=O)C(C)SCC1CC1 62a_100000756562_100000230173 [0,1,0,1,0,0|2,0,0]=4 19425 B12R1.556 CCOC(=O)C(=O)CSC1CC1 62a_100000211299_100000211595 [0,1,0,1,0,0|1,0,1]=4 19426 B12R1.556 CCOC(=O)C(=O)NCC1CC1 11a_100000735609_100014798877 [0,1,0,1,0,0|1,0,1]=4 19427 B12R1.556 CCOC(=O)C(=O)NCC1CC1 1626a_100000735609_100014798877 [0,1,0,1,0,0|1,0,1]=4 19428 B12R1.556 CCOC(=O)C(=O)NCC1CC1 240690a_100000735609_100014798877 [0,1,0,1,0,0|1,0,1]=4 19429 B12R1.556 CCOC(=O)C(C)NCC1CC1 2230a_100000735609_100011215307 [0,1,0,1,0,0|1,0,0]=3 19430 B12R1.556 CCOC(=O)C(C)NCC1CC1 34a_100000735609_100011216346 [0,1,0,1,0,0|1,0,0]=3 19431 B12R1.556 CCOC(=O)C(C)OCC1CC1 34a_100000211283_100011216346 [0,1,0,1,0,0|1,0,0]=3 19432 B12R1.556 CCOC(=O)C(C)OC[C@@H]1CO1 34a_100000757423_100011216346 [0,1,0,1,0,0|2,0,0]=4 19433 B12R1.556 CCOC(=O)C(C)SCC1CC1 62a_100000756562_100011216346 [0,1,0,1,0,0|1,0,0]=3 19434 B12R1.556 CCOC(=O)C(C)SCC1CC1 62a_100011216346_100000742324 [0,1,0,1,0,0|1,0,0]=3 19435 B12R1.556 CCOC(=O)C(C)SCC1CO1 62a_100011216346_102125554688 [0,1,0,1,0,0|2,0,0]=4 19436 B12R1.556 CCOC(=O)C(C)SCC1CO1 62a_102125554688_100011216346 [0,1,0,1,0,0|2,0,0]=4 19437 B12R1.556 CCOC(=O)C(C)SCC1CS1 62a_100000031435_100011216346 [0,1,0,1,0,0|2,0,0]=4 19438 B12R1.556 CCOC(=O)C(C)SCC1CS1 62a_100011216346_100000031435 [0,1,0,1,0,0|2,0,0]=4 19439 B12R1.556 CCOC(=O)C(C)SC[C@@H]1CO1 62a_100000745022_100011216346 [0,1,0,1,0,0|2,0,0]=4 19440 B12R1.556 CCOC(=O)C(C)SC[C@@H]1CO1 62a_100011216346_100000745022 [0,1,0,1,0,0|2,0,0]=4 19441 B12R1.556 CCOC(=O)C(F)NCC1CC1 2230a_100000735609_100000760018 [0,1,0,1,0,0|1,0,0]=3 19442 B12R1.556 CCOC(=O)C(F)NCC1CC1 34a_100000735609_100000760018 [0,1,0,1,0,0|1,0,0]=3 19443 B12R1.556 CCOC(=O)C(F)OCC1CC1 34a_100000211283_100000760018 [0,1,0,1,0,0|1,0,0]=3 19444 B12R1.556 CCOC(=O)C(F)OC[C@@H]1CO1 34a_100000757423_100000760018 [0,1,0,1,0,0|2,0,0]=4 19445 B12R1.556 CCOC(=O)C(F)SCC1CC1 62a_100000756562_100000760018 [0,1,0,1,0,0|1,0,0]=3 19446 B12R1.556 CCOC(=O)C(F)SCC1CC1 62a_100000760018_100000742324 [0,1,0,1,0,0|1,0,0]=3 19447 B12R1.556 CCOC(=O)C(F)SCC1CO1 62a_100000760018_102125554688 [0,1,0,1,0,0|2,0,0]=4 19448 B12R1.556 CCOC(=O)C(F)SCC1CO1 62a_102125554688_100000760018 [0,1,0,1,0,0|2,0,0]=4 19449 B12R1.556 CCOC(=O)C(F)SCC1CS1 62a_100000031435_100000760018 [0,1,0,1,0,0|2,0,0]=4 19450 B12R1.556 CCOC(=O)C(F)SCC1CS1 62a_100000760018_100000031435 [0,1,0,1,0,0|2,0,0]=4 19451 B12R1.556 CCOC(=O)C(F)SC[C@@H]1CO1 62a_100000745022_100000760018 [0,1,0,1,0,0|2,0,0]=4 19452 B12R1.556 CCOC(=O)C(F)SC[C@@H]1CO1 62a_100000760018_100000745022 [0,1,0,1,0,0|2,0,0]=4 19453 B12R1.556 CCOC(=O)[C@H](C)OCC1CC1 7a_100000751109_100000742324 [0,1,0,1,0,0|1,0,0]=3 19454 B12R1.556 CCOC(=O)[C@H](C)OCC1CO1 7a_100000751109_102125554688 [0,1,0,1,0,0|2,0,0]=4 19455 B12R1.556 CCOC(=O)[C@H](C)OCC1CS1 7a_100000751109_100000031435 [0,1,0,1,0,0|2,0,0]=4 19456 B12R1.556 CCOC(=O)[C@H](C)OC[C@@H]1CO1 7a_100000751109_100000745022 [0,1,0,1,0,0|2,0,0]=4 19457 B12R1.556 CCSC(=O)[C@H](C)NCC1CC1 2230a_100103168634_100000742324 [0,1,0,1,0,0|1,1,0]=4 19458 B12R1.557 CCNC(=O)C(C)N1CCC1C 269982a_100000755817_100000230173 [0,1,0,1,0,0|2,0,0]=4 19459 B12R1.557 CCNC(=O)C(C)N1CCC1C 34a_100000755817_100000230173 [0,1,0,1,0,0|2,0,0]=4 19460 B12R1.557 CCOC(=O)C(=O)N1CCC1C 11a_100000755817_100014798877 [0,1,0,1,0,0|1,0,1]=4 19461 B12R1.557 CCOC(=O)C(=O)N1CCC1C 240690a_100000755817_100014798877 [0,1,0,1,0,0|1,0,1]=4 19462 B12R1.557 CCOC(=O)C(C)N1CCC1C 269982a_100000755817_100011216346 [0,1,0,1,0,0|1,0,0]=3 19463 B12R1.557 CCOC(=O)C(C)N1CCC1C 34a_100000755817_100011216346 [0,1,0,1,0,0|1,0,0]=3 19464 B12R1.557 CCOC(=O)C(F)N1CCC1C 269982a_100000755817_100000760018 [0,1,0,1,0,0|1,0,0]=3 19465 B12R1.557 CCOC(=O)C(F)N1CCC1C 34a_100000755817_100000760018 [0,1,0,1,0,0|1,0,0]=3 19466 B12R1.689 CCCCCC(C)C(=O)C1CC1 1458a_100000210395_200011218191 [0,1,0,1,0,0|1,0,0]=3 19467 B12R1.689 CCCCCC(C)C(=O)C1CO1 1458a_100000701028_200011218191 [0,1,0,1,0,0|2,0,0]=4 19468 B12R1.689 CCCCCN(C)C(=O)C1CC1 11a_100000223495_100000210395 [0,1,0,1,0,0|2,0,0]=4 19469 B12R1.689 CCCCCN(C)C(=O)C1CC1 1626a_100000223495_100000210395 [0,1,0,1,0,0|2,0,0]=4 19470 B12R1.689 CCCCCN(C)C(=O)C1CC1 240690a_100000223495_100000210395 [0,1,0,1,0,0|2,0,0]=4 19471 B12R1.689 CCCCCN(C)C(=O)C1CC1 527a_100000223495_100000210395 [0,1,0,1,0,0|2,0,0]=4 19472 B12R1.1595 CC1(CCCCC1)C(=O)CCF 1458a_100000762840_100011217306 [0,1,0,1,0,0|2,0,0]=4 19473 B12R1.1595 CC1(CCCCC1)C(=O)CCO 1458a_100000762840_100000211926 [0,1,0,1,0,0|2,0,0]=4 19474 B12R1.1595 CCCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210303 [0,1,0,1,0,0|1,0,0]=3 19475 B12R1.1595 CCCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210303 [0,1,0,1,0,0|1,0,0]=3 19476 B12R1.1595 CCCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210303 [0,1,0,1,0,0|1,0,0]=3 19477 B12R1.1595 CCCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210303 [0,1,0,1,0,0|2,0,0]=4 19478 B12R1.1595 CCCC(=O)C1(CCOCC1)F 1458a_100009845733_100000210303 [0,1,0,1,0,0|2,0,0]=4 19479 B12R1.1595 CCCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210303 [0,1,0,1,0,0|2,0,0]=4 19480 B12R1.1595 CCNC(=O)C1(CCCCC1)C 11a_100015525214_100000762840 [0,1,0,1,0,0|1,0,0]=3 19481 B12R1.1595 CCNC(=O)C1(CCCCC1)C 240690a_100015525214_100000762840 [0,1,0,1,0,0|1,0,0]=3 19482 B12R1.1595 CCNC(=O)C1(CCCCC1)C 527a_100015525214_100000762840 [0,1,0,1,0,0|1,0,0]=3 19483 B12R1.1595 CCNC(=O)C1(CCCCC1)F 11a_100015525214_100000069003 [0,1,0,1,0,0|1,0,0]=3 19484 B12R1.1595 CCNC(=O)C1(CCCCC1)F 240690a_100015525214_100000069003 [0,1,0,1,0,0|1,0,0]=3 19485 B12R1.1595 CCNC(=O)C1(CCCCC1)F 527a_100015525214_100000069003 [0,1,0,1,0,0|1,0,0]=3 19486 B12R1.1595 CCNC(=O)C1(CCCCC1)O 240690a_100015525214_100000242742 [0,1,0,1,0,0|1,0,0]=3 19487 B12R1.1595 CCNC(=O)C1(CCOCC1)C 11a_100015525214_100000749465 [0,1,0,1,0,0|2,0,0]=4 19488 B12R1.1595 CCNC(=O)C1(CCOCC1)C 240690a_100015525214_100000749465 [0,1,0,1,0,0|2,0,0]=4 19489 B12R1.1595 CCNC(=O)C1(CCOCC1)C 527a_100015525214_100000749465 [0,1,0,1,0,0|2,0,0]=4 19490 B12R1.1595 CCNC(=O)C1(CCOCC1)F 11a_100015525214_100009845733 [0,1,0,1,0,0|2,0,0]=4 19491 B12R1.1595 CCNC(=O)C1(CCOCC1)F 240690a_100015525214_100009845733 [0,1,0,1,0,0|2,0,0]=4 19492 B12R1.1595 CCNC(=O)C1(CCOCC1)F 527a_100015525214_100009845733 [0,1,0,1,0,0|2,0,0]=4 19493 B12R1.1595 CCNC(=O)C1(CCOCC1)O 240690a_100015525214_100000751969 [0,1,0,1,0,0|2,0,0]=4 19494 B12R1.1595 CNNC(=O)C1(CCCCC1)C 22a_100016993582_100000762840 [0,1,0,1,0,0|2,0,0]=4 19495 B12R1.1595 CNNC(=O)C1(CCCCC1)F 22a_100016993582_100000069003 [0,1,0,1,0,0|2,0,0]=4 19496 B12R1.1595 CNNC(=O)C1(CCCCC1)O 22a_100016993582_100000242742 [0,1,0,1,0,0|2,0,0]=4 19497 B12R1.1595 O=C(CCF)C1(CCCCC1)F 1458a_100000069003_100011217306 [0,1,0,1,0,0|2,0,0]=4 19498 B12R1.1595 O=C(CCF)C1(CCCCC1)O 1458a_100000242742_100011217306 [0,1,0,1,0,0|2,0,0]=4 19499 B12R1.1595 O=C(CCO)C1(CCCCC1)F 1458a_100000069003_100000211926 [0,1,0,1,0,0|2,0,0]=4 19500 B12R1.1595 O=C(CCO)C1(CCCCC1)O 1458a_100000242742_100000211926 [0,1,0,1,0,0|2,0,0]=4 19501 B12R1.3 CCOC(CC)C1CCCCC1 34a_100011215090_100000210202 [0,1,0,1,0,0|1,0,1]=4 19502 B12R1.3 CCOC(CC)C1CCCCC1 7a_100011215090_100000210202 [0,1,0,1,0,0|1,0,1]=4 19503 B12R1.16 C=C1CCC(CC1)C(=O)CCC 1458a_200000138047_100000210303 [0,1,0,1,0,0|1,0,1]=4 19504 B12R1.16 C=C1CCC(CC1)C(=O)NCC 11a_100015525214_200000138047 [0,1,0,1,0,0|1,0,1]=4 19505 B12R1.16 C=C1CCC(CC1)C(=O)NCC 240690a_100015525214_200000138047 [0,1,0,1,0,0|1,0,1]=4 19506 B12R1.16 C=C1CCC(CC1)C(=O)NCC 527a_100015525214_200000138047 [0,1,0,1,0,0|1,0,1]=4 19507 B12R1.16 CC#CC(=O)C1CCC(CC1)C 1458a_100000763181_200011216234 [0,1,0,1,0,0|1,0,1]=4 19508 B12R1.16 CC1CCC(CC1)C(=O)CCO 1458a_100011216618_200011216234 [0,1,0,1,0,0|2,0,0]=4 19509 B12R1.16 CC=CC(=O)C1CCC(CC1)C 1458a_100000210699_200011216234 [0,1,0,1,0,0|1,0,1]=4 19510 B12R1.16 CCCC(=O)C1CCC(CC1)C 1458a_100000211992_200011216234 [0,1,0,1,0,0|1,0,0]=3 19511 B12R1.16 CCCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210303 [0,1,0,1,0,0|1,0,0]=3 19512 B12R1.16 CCCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210303 [0,1,0,1,0,0|2,0,0]=4 19513 B12R1.16 CCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000211992 [0,1,0,1,0,0|2,0,0]=4 19514 B12R1.16 CCCC(=O)N1CCC(CC1)C 527a_100000188429_100000211992 [0,1,0,1,0,0|2,0,0]=4 19515 B12R1.16 CCCC(=O)N1CCC(CC1)F 11a_100015193889_100000211992 [0,1,0,1,0,0|2,0,0]=4 19516 B12R1.16 CCCC(=O)N1CCC(CC1)F 1626a_100015193889_100000211992 [0,1,0,1,0,0|2,0,0]=4 19517 B12R1.16 CCCC(=O)N1CCC(CC1)F 240690a_100015193889_100000211992 [0,1,0,1,0,0|2,0,0]=4 19518 B12R1.16 CCCC(=O)N1CCC(CC1)F 527a_100015193889_100000211992 [0,1,0,1,0,0|2,0,0]=4 19519 B12R1.16 CCCC(=O)N1CCC(CC1)O 240690a_100025773856_100000211992 [0,1,0,1,0,0|2,0,0]=4 19520 B12R1.16 CCCC(=O)N1CCC(CC1)O 527a_100025773856_100000211992 [0,1,0,1,0,0|2,0,0]=4 19521 B12R1.16 CCCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210303 [0,1,0,1,0,0|1,0,0]=3 19522 B12R1.16 CCNC(=O)C1CCC(CC1)O 240690a_100015525214_100000743365 [0,1,0,1,0,0|1,0,0]=3 19523 B12R1.16 CCNC(=O)C1CCC(CC1)O 527a_100015525214_100000743365 [0,1,0,1,0,0|1,0,0]=3 19524 B12R1.16 CCNC(=O)C1CCN(CC1)C 240690a_100015525214_100000743488 [0,1,0,1,0,0|2,0,0]=4 19525 B12R1.16 CCNC(=O)C1CCN(CC1)C 527a_100015525214_100000743488 [0,1,0,1,0,0|2,0,0]=4 19526 B12R1.16 CCNC(=O)N1CCC(CC1)C 2708a_100015525214_100000188429 [0,1,0,1,0,0|2,0,0]=4 19527 B12R1.16 CCNC(=O)N1CCC(CC1)C 273464a_100015525214_100000188429 [0,1,0,1,0,0|2,0,0]=4 19528 B12R1.16 CCNC(=O)N1CCC(CC1)F 2708a_100015525214_100015193889 [0,1,0,1,0,0|2,0,0]=4 19529 B12R1.16 CCNC(=O)N1CCC(CC1)F 273464a_100015525214_100015193889 [0,1,0,1,0,0|2,0,0]=4 19530 B12R1.16 CCNC(=O)N1CCC(CC1)O 2708a_100015525214_100025773856 [0,1,0,1,0,0|2,0,0]=4 19531 B12R1.16 CCNC(=O)N1CCC(CC1)O 273464a_100015525214_100025773856 [0,1,0,1,0,0|2,0,0]=4 19532 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100015525214_100009815934 [0,1,0,1,0,0|1,0,0]=3 19533 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100015525214_100009815934 [0,1,0,1,0,0|1,0,0]=3 19534 B12R1.16 CCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100015525214_100009815934 [0,1,0,1,0,0|1,0,0]=3 19535 B12R1.16 CCOC(=O)C1CCN(CC1)C 2230a_100000210402_200000210301 [0,1,0,1,0,0|1,0,0]=3 19536 B12R1.16 CCOC(=O)C1CCN(CC1)C 269982a_100000210402_200000210301 [0,1,0,1,0,0|1,0,0]=3 19537 B12R1.16 CCOC(=O)C1CCN(CC1)[13CH3] 2230a_100000210402_200025704644 [0,1,0,1,0,0|1,0,0]=3 19538 B12R1.16 CCOC(=O)C1CCN(CC1)[13CH3] 269982a_100000210402_200025704644 [0,1,0,1,0,0|1,0,0]=3 19539 B12R1.16 CCOC(=O)N1CCN(CC1)C 2230a_100000210854_200000210301 [0,1,0,1,0,0|2,0,0]=4 19540 B12R1.16 CCOC(=O)N1CCN(CC1)C 269982a_100000210854_200000210301 [0,1,0,1,0,0|2,0,0]=4 19541 B12R1.16 CCOC(=O)N1CCN(CC1)[13CH3] 2230a_100000210854_200025704644 [0,1,0,1,0,0|2,0,0]=4 19542 B12R1.16 CCOC(=O)N1CCN(CC1)[13CH3] 269982a_100000210854_200025704644 [0,1,0,1,0,0|2,0,0]=4 19543 B12R1.16 CNNC(=O)C1CCC(CC1)O 22a_100016993582_100000743365 [0,1,0,1,0,0|2,0,0]=4 19544 B12R1.16 CNNC(=O)[C@H]1CC[C@@H](CC1)C 22a_100016993582_100009815934 [0,1,0,1,0,0|2,0,0]=4 19545 B12R1.16 COCC(=O)C1CCC(CC1)C 1458a_100000210968_200011216234 [0,1,0,1,0,0|2,0,0]=4 19546 B12R1.16 CSCC(=O)C1CCC(CC1)C 1458a_100000184570_200011216234 [0,1,0,1,0,0|2,0,0]=4 19547 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCF 1458a_100009815934_100011217306 [0,1,0,1,0,0|2,0,0]=4 19548 B12R1.16 C[C@H]1CC[C@@H](CC1)C(=O)CCO 1458a_100009815934_100000211926 [0,1,0,1,0,0|2,0,0]=4 19549 B12R1.16 O=C(CCF)C1CCC(CC1)O 1458a_100000743365_100011217306 [0,1,0,1,0,0|2,0,0]=4 19550 B12R1.16 O=C(CCO)C1CCC(CC1)O 1458a_100000743365_100000211926 [0,1,0,1,0,0|2,0,0]=4 19551 B12R1.50 CCC(C)CN1CCNC(=O)C1 2230a_100000184651_100000748023 [0,1,0,1,0,0|2,0,0]=4 19552 B12R1.50 CCC(C)CN1CCNC(=O)C1 270004a_100000184651_100000243153 [0,1,0,1,0,0|2,0,0]=4 19553 B12R1.50 CCC(C)CN1CCOC(=O)C1 2230a_100000131268_100000748023 [0,1,0,1,0,0|1,0,0]=3 19554 B12R1.50 CCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243153 [0,1,0,1,0,0|1,0,0]=3 19555 B12R1.50 CCC(C)NC1CCNC(=O)C1 2230a_100016994916_100000758301 [0,1,0,1,0,0|2,0,0]=4 19556 B12R1.50 CCC(C)NC1CCNC(=O)C1 34a_100016994916_100011215416 [0,1,0,1,0,0|2,0,0]=4 19557 B12R1.50 CCC(C)OC1CCCC(=O)C1 34a_100012613340_100011215416 [0,1,0,1,0,0|2,0,0]=4 19558 B12R1.50 CCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100011215416 [0,1,0,1,0,0|2,0,0]=4 19559 B12R1.50 CCC(O)CN1CCNC(=O)C1 2230a_100000184651_100011218378 [0,1,0,1,0,0|2,0,0]=4 19560 B12R1.50 CCC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218378 [0,1,0,1,0,0|1,0,0]=3 19561 B12R1.50 CC[C@H](C)CN1CCNC(=O)C1 2230a_100000184651_100009816398 [0,1,0,1,0,0|2,0,0]=4 19562 B12R1.50 CC[C@H](C)CN1CCOC(=O)C1 2230a_100000131268_100009816398 [0,1,0,1,0,0|1,0,0]=3 19563 B12R1.50 C[C@@H](CO)CN1CCOC(=O)C1 2230a_100000131268_100000059175 [0,1,0,1,0,0|2,0,0]=4 19564 B12R1.50 O=C1CN(CCO1)CC(O)CO 2230a_100000131268_100011219619 [0,1,0,1,0,0|2,0,0]=4 19565 B12R1.50 O=C1CN(CCO1)C[C@@H](O)CF 2230a_100000131268_100015614560 [0,1,0,1,0,0|2,0,0]=4 19566 B12R1.50 O=C1CN(CCO1)C[C@@H](O)CO 2230a_100000131268_100009815848 [0,1,0,1,0,0|2,0,0]=4 19567 B12R1.353 CC(CN)COC1CCOC1=O 34a_100000744482_100000211211 [0,1,0,1,0,0|2,0,0]=4 19568 B12R1.353 CC(CO)CNC1CCOC1=O 34a_100000744482_100000211211 [0,1,0,1,0,0|2,0,0]=4 19569 B12R1.353 CCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210202 [0,1,0,1,0,0|0,0,1]=3 19570 B12R1.353 CCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210202 [0,1,0,1,0,0|1,0,1]=4 19571 B12R1.353 CCC(=O)COC1CCOC1=O 34a_100000725409_100000211211 [0,1,0,1,0,0|1,0,1]=4 19572 B12R1.353 CCC(=O)CSC1CCOC1=O 62a_100000211211_100000747405 [0,1,0,1,0,0|1,0,1]=4 19573 B12R1.353 CCC(=O)CSC1CCOC1=O 62a_100000747405_100000211211 [0,1,0,1,0,0|1,0,1]=4 19574 B12R1.353 CCC(C)CNC1CCCC1=O 2230a_100020588543_100000211823 [0,1,0,1,0,0|2,0,0]=4 19575 B12R1.353 CCC(C)CNC1CCNC1=O 2230a_100016995588_100000748023 [0,1,0,1,0,0|2,0,0]=4 19576 B12R1.353 CCC(C)CNC1CCNC1=O 270004a_100016995588_100000243153 [0,1,0,1,0,0|2,0,0]=4 19577 B12R1.353 CCC(C)CNC1CCNC1=O 34a_100016995588_100000748023 [0,1,0,1,0,0|2,0,0]=4 19578 B12R1.353 CCC(C)CNC1CCOC1=O 2230a_100020588543_100000211211 [0,1,0,1,0,0|1,0,0]=3 19579 B12R1.353 CCC(C)COC1CCCC1=O 34a_200000719330_100000748023 [0,1,0,1,0,0|2,0,0]=4 19580 B12R1.353 CCC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000748023 [0,1,0,1,0,0|2,0,0]=4 19581 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000211823_100000748023 [0,1,0,1,0,0|2,0,0]=4 19582 B12R1.353 CCC(C)CSC1CCCC1=O 62a_100000748023_100000211823 [0,1,0,1,0,0|2,0,0]=4 19583 B12R1.353 CCC(C)CSC1CCOC1=O 62a_100000211211_100000748023 [0,1,0,1,0,0|1,0,0]=3 19584 B12R1.353 CCC(C)CSC1CCOC1=O 62a_100000748023_100000211211 [0,1,0,1,0,0|1,0,0]=3 19585 B12R1.353 CCC(C)OCC1CCNC1=O 34a_100000133458_100011215416 [0,1,0,1,0,0|2,0,0]=4 19586 B12R1.353 CCC(O)CNC1CCCC1=O 2230a_100011218483_100000211823 [0,1,0,1,0,0|2,0,0]=4 19587 B12R1.353 CCC(O)CNC1CCNC1=O 2230a_100016995588_100011218378 [0,1,0,1,0,0|2,0,0]=4 19588 B12R1.353 CCC(O)CNC1CCNC1=O 34a_100016995588_100011218378 [0,1,0,1,0,0|2,0,0]=4 19589 B12R1.353 CCC(O)CNC1CCOC1=O 2230a_100011218483_100000211211 [0,1,0,1,0,0|1,0,0]=3 19590 B12R1.353 CCC(O)COC1CCCC1=O 34a_200000719330_100011218378 [0,1,0,1,0,0|2,0,0]=4 19591 B12R1.353 CCC(O)CO[C@H]1CCNC1=O 34a_100000688343_100011218378 [0,1,0,1,0,0|2,0,0]=4 19592 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100000211823_100011218378 [0,1,0,1,0,0|2,0,0]=4 19593 B12R1.353 CCC(O)CSC1CCCC1=O 62a_100011218378_100000211823 [0,1,0,1,0,0|2,0,0]=4 19594 B12R1.353 CCC(O)CSC1CCOC1=O 62a_100000211211_100011218378 [0,1,0,1,0,0|1,0,0]=3 19595 B12R1.353 CCC(O)CSC1CCOC1=O 62a_100011218378_100000211211 [0,1,0,1,0,0|1,0,0]=3 19596 B12R1.353 CC[C@H](C)CNC1CCNC1=O 2230a_100016995588_100009816398 [0,1,0,1,0,0|2,0,0]=4 19597 B12R1.353 CC[C@H](C)CNC1CCNC1=O 34a_100016995588_100009816398 [0,1,0,1,0,0|2,0,0]=4 19598 B12R1.353 CC[C@H](C)COC1CCCC1=O 34a_200000719330_100009816398 [0,1,0,1,0,0|2,0,0]=4 19599 B12R1.353 CC[C@H](C)COC1CCCC1=O 7a_100009816381_100000211823 [0,1,0,1,0,0|2,0,0]=4 19600 B12R1.353 CC[C@H](C)COC1CCOC1=O 7a_100009816381_100000211211 [0,1,0,1,0,0|1,0,0]=3 19601 B12R1.353 CC[C@H](C)CO[C@H]1CCNC1=O 34a_100000688343_100009816398 [0,1,0,1,0,0|2,0,0]=4 19602 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100000211823_100009816398 [0,1,0,1,0,0|2,0,0]=4 19603 B12R1.353 CC[C@H](C)CSC1CCCC1=O 62a_100009816398_100000211823 [0,1,0,1,0,0|2,0,0]=4 19604 B12R1.353 CC[C@H](C)CSC1CCOC1=O 62a_100000211211_100009816398 [0,1,0,1,0,0|1,0,0]=3 19605 B12R1.353 CC[C@H](C)CSC1CCOC1=O 62a_100009816398_100000211211 [0,1,0,1,0,0|1,0,0]=3 19606 B12R1.353 CNC(=O)CCC1CCOC1=O 11a_106832991635_100000117037 [0,1,0,1,0,0|1,0,1]=4 19607 B12R1.353 CNC(=O)CCC1CCOC1=O 1626a_100102657272_100000117037 [0,1,0,1,0,0|1,0,1]=4 19608 B12R1.353 CNC(=O)CCC1CCOC1=O 240690a_100102657272_100000117037 [0,1,0,1,0,0|1,0,1]=4 19609 B12R1.353 CNC(=O)CCC1CCOC1=O 527a_100102657272_100000117037 [0,1,0,1,0,0|1,0,1]=4 19610 B12R1.353 COC(C)COC1CCOC1=O 34a_100000690652_100000211211 [0,1,0,1,0,0|2,0,0]=4 19611 B12R1.353 CO[C@H](C)CNC1CCOC1=O 2230a_100020591295_100000211211 [0,1,0,1,0,0|2,0,0]=4 19612 B12R1.353 C[C@@H](CO)CSC1CCOC1=O 62a_100000059175_100000211211 [0,1,0,1,0,0|2,0,0]=4 19613 B12R1.353 C[C@@H](CO)CSC1CCOC1=O 62a_100000211211_100000059175 [0,1,0,1,0,0|2,0,0]=4 19614 B12R1.353 NC[C@@H](F)COC1CCOC1=O 34a_100015665980_100000211211 [0,1,0,1,0,0|2,0,0]=4 19615 B12R1.353 O=C(CF)CCC1CCOC1=O 1458a_100000117037_100015361967 [0,1,0,1,0,0|1,0,1]=4 19616 B12R1.353 O=C1OCCC1NC[C@@H](F)CO 34a_100015665980_100000211211 [0,1,0,1,0,0|2,0,0]=4 19617 B12R1.353 O=C1OCCC1NC[C@H](O)CO 2230a_100020644852_100000211211 [0,1,0,1,0,0|2,0,0]=4 19618 B12R1.353 O=C1OCCC1OCC(Cl)CCl 34a_100000033668_100000211211 [0,1,0,1,0,0|2,0,0]=4 19619 B12R1.353 O=C1OCCC1SCC(O)CO 62a_100000211211_100011219619 [0,1,0,1,0,0|2,0,0]=4 19620 B12R1.353 O=C1OCCC1SCC(O)CO 62a_100011219619_100000211211 [0,1,0,1,0,0|2,0,0]=4 19621 B12R1.353 O=C1OCCC1SC[C@@H](O)CF 62a_100000211211_100015614560 [0,1,0,1,0,0|2,0,0]=4 19622 B12R1.353 O=C1OCCC1SC[C@@H](O)CF 62a_100015614560_100000211211 [0,1,0,1,0,0|2,0,0]=4 19623 B12R1.353 O=C1OCCC1SC[C@@H](O)CO 62a_100000211211_100009815848 [0,1,0,1,0,0|2,0,0]=4 19624 B12R1.353 O=C1OCCC1SC[C@@H](O)CO 62a_100009815848_100000211211 [0,1,0,1,0,0|2,0,0]=4 19625 B12R1.1527 CCCC(=O)CNCC1(CC1)C 2230a_100000766693_100000747444 [0,1,0,1,0,0|2,0,0]=4 19626 B12R1.1527 CCCC(=O)CNCC1(CC1)O 2230a_100011936951_100000747444 [0,1,0,1,0,0|2,0,0]=4 19627 B12R1.1527 CCCC(=O)COCC1(CC1)C 7a_100000698024_100000747444 [0,1,0,1,0,0|2,0,0]=4 19628 B12R1.1527 CCCC(=O)COCC1(CC1)F 7a_200000703853_100000747444 [0,1,0,1,0,0|2,0,0]=4 19629 B12R1.1527 CCNC(=O)CCNC1(CC1)C 2230a_100000757604_100000737597 [0,1,0,1,0,0|2,0,0]=4 19630 B12R1.1527 CCNC(=O)CCOC1(CC1)C 7a_100011725673_100000737597 [0,1,0,1,0,0|2,0,0]=4 19631 B12R1.1527 CCNC(=O)CNCC1(CC1)C 2230a_100000766693_100000183381 [0,1,0,1,0,0|2,0,0]=4 19632 B12R1.1527 CCNC(=O)CNCC1(CC1)O 2230a_100011936951_100000183381 [0,1,0,1,0,0|2,0,0]=4 19633 B12R1.1527 CCNC(=O)COCC1(CC1)C 7a_100000698024_100000183381 [0,1,0,1,0,0|2,0,0]=4 19634 B12R1.1527 CCNC(=O)COCC1(CC1)F 34a_200000703853_100000183381 [0,1,0,1,0,0|2,0,0]=4 19635 B12R1.1527 CCNC(=O)COCC1(CC1)F 7a_200000703853_100000183381 [0,1,0,1,0,0|2,0,0]=4 19636 B12R1.1527 CCOC(=O)CCNC1(CC1)C 2230a_100000757604_100011206558 [0,1,0,1,0,0|1,0,0]=3 19637 B12R1.1527 CCOC(=O)CCOC1(CC1)C 7a_100011725673_100011206558 [0,1,0,1,0,0|1,0,0]=3 19638 B12R1.1527 CCOC(=O)CNCC1(CC1)C 2230a_100000766693_100000188475 [0,1,0,1,0,0|1,0,0]=3 19639 B12R1.1527 CCOC(=O)CNCC1(CC1)O 2230a_100011936951_100000188475 [0,1,0,1,0,0|1,0,0]=3 19640 B12R1.1527 CCOC(=O)COCC1(CC1)C 7a_100000698024_100000188475 [0,1,0,1,0,0|1,0,0]=3 19641 B12R1.1527 CCOC(=O)COCC1(CC1)F 34a_200000703853_100000188475 [0,1,0,1,0,0|1,0,0]=3 19642 B12R1.1527 CCOC(=O)COCC1(CC1)F 7a_200000703853_100000188475 [0,1,0,1,0,0|1,0,0]=3 19643 B12R1.1527 CCOC(=O)CSCC1(CO1)C 62a_100000188475_100000760498 [0,1,0,1,0,0|2,0,0]=4 19644 B12R1.1527 CCOC(=O)CSCC1(CO1)C 62a_100000760498_100000188475 [0,1,0,1,0,0|2,0,0]=4 19645 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CC 1458a_100009818562_100000210202 [0,1,0,1,0,0|0,0,1]=3 19646 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)CF 1458a_100009818562_100015361967 [0,1,0,1,0,0|1,0,1]=4 19647 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC 11a_106832991635_100009818562 [0,1,0,1,0,0|1,0,1]=4 19648 B12R1.1562 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC 240690a_100102657272_100009818562 [0,1,0,1,0,0|1,0,1]=4 19649 B12R1.1619 CCCC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000747444 [0,1,0,1,0,0|2,0,0]=4 19650 B12R1.1619 CCCC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000747444 [0,1,0,1,0,0|2,0,0]=4 19651 B12R1.1619 CCNC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000183381 [0,1,0,1,0,0|2,0,0]=4 19652 B12R1.1619 CCNC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000183381 [0,1,0,1,0,0|2,0,0]=4 19653 B12R1.1619 CCOC(=O)CN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000188475 [0,1,0,1,0,0|1,0,0]=3 19654 B12R1.1619 CCOC(=O)CN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000188475 [0,1,0,1,0,0|1,0,0]=3 19655 B12R1.1658 CCC(C)N1CCNC(=O)CC1 2230a_100000698595_100000758301 [0,1,0,1,0,0|2,0,0]=4 19656 B12R1.1658 CCC(C)N1CCNC(=O)CC1 269982a_100000698595_100000758301 [0,1,0,1,0,0|2,0,0]=4 19657 B12R1.1689 CCC(C)CCNC(=O)C1CC1 11a_100020591266_100000210395 [0,1,0,1,0,0|2,0,0]=4 19658 B12R1.1689 CCC(C)CCNC(=O)C1CC1 1626a_100020591266_100000210395 [0,1,0,1,0,0|2,0,0]=4 19659 B12R1.1689 CCC(C)CCNC(=O)C1CC1 240690a_100020591266_100000210395 [0,1,0,1,0,0|2,0,0]=4 19660 B12R1.1689 CCC(C)CCNC(=O)C1CC1 527a_100020591266_100000210395 [0,1,0,1,0,0|2,0,0]=4 19661 B12R1.1689 CCC(C)CNCC(=O)C1CC1 2230a_100020588543_100000746382 [0,1,0,1,0,0|2,0,0]=4 19662 B12R1.1689 CCC(C)COCC(=O)C1CC1 34a_100000686663_100000748023 [0,1,0,1,0,0|2,0,0]=4 19663 B12R1.1689 CCC(C)CSCC(=O)C1CC1 62a_100000746382_100000748023 [0,1,0,1,0,0|2,0,0]=4 19664 B12R1.1689 CCC(C)CSCC(=O)C1CC1 62a_100000748023_100000746382 [0,1,0,1,0,0|2,0,0]=4 19665 B12R1.1689 CCC(O)CNCC(=O)C1CC1 2230a_100011218483_100000746382 [0,1,0,1,0,0|2,0,0]=4 19666 B12R1.1689 CCC(O)COCC(=O)C1CC1 34a_100000686663_100011218378 [0,1,0,1,0,0|2,0,0]=4 19667 B12R1.1689 CCC(O)CSCC(=O)C1CC1 62a_100000746382_100011218378 [0,1,0,1,0,0|2,0,0]=4 19668 B12R1.1689 CCC(O)CSCC(=O)C1CC1 62a_100011218378_100000746382 [0,1,0,1,0,0|2,0,0]=4 19669 B12R1.1689 CCN(C)CCCC(=O)C1CC1 1458a_100000210395_100015186262 [0,1,0,1,0,0|2,0,0]=4 19670 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 34a_100000686663_100009816398 [0,1,0,1,0,0|2,0,0]=4 19671 B12R1.1689 CC[C@H](C)COCC(=O)C1CC1 7a_100009816381_100000746382 [0,1,0,1,0,0|2,0,0]=4 19672 B12R1.1689 CC[C@H](C)CSCC(=O)C1CC1 62a_100000746382_100009816398 [0,1,0,1,0,0|2,0,0]=4 19673 B12R1.1689 CC[C@H](C)CSCC(=O)C1CC1 62a_100009816398_100000746382 [0,1,0,1,0,0|2,0,0]=4 19674 B12R1.130 C=C(C)CCOC1CCOC1=O 34a_100000764851_100000211211 [0,1,0,1,0,0|1,0,1]=4 19675 B12R1.130 C=C(C)CCSC1CCOC1=O 62a_100000211211_100000730704 [0,1,0,1,0,0|1,0,1]=4 19676 B12R1.130 C=C(C)CCSC1CCOC1=O 62a_100000730704_100000211211 [0,1,0,1,0,0|1,0,1]=4 19677 B12R1.130 CC(=O)CCOC1CCOC1=O 34a_100000759926_100000211211 [0,1,0,1,0,0|1,0,1]=4 19678 B12R1.130 CC(=O)CCOC1CCOC1=O 7a_100000759926_100000211211 [0,1,0,1,0,0|1,0,1]=4 19679 B12R1.130 CC(=O)CCSC1CCOC1=O 62a_100000053229_100000211211 [0,1,0,1,0,0|1,0,1]=4 19680 B12R1.130 CC(=O)CCSC1CCOC1=O 62a_100000211211_100000053229 [0,1,0,1,0,0|1,0,1]=4 19681 B12R1.130 CC(Br)CCOC1CCCC1=O 34a_100009893172_100000709159 [0,1,0,1,0,0|2,0,0]=4 19682 B12R1.130 CC(Br)CCOC1CCOC1=O 34a_100009893172_100000211211 [0,1,0,1,0,0|1,0,0]=3 19683 B12R1.130 CC(C)CCNC1CCNC1=O 2230a_100016995588_100000210312 [0,1,0,1,0,0|2,0,0]=4 19684 B12R1.130 CC(C)CCNC1CCNC1=O 34a_100016995588_100000210312 [0,1,0,1,0,0|2,0,0]=4 19685 B12R1.130 CC(C)CCOC1CCCC1=O 34a_100000210254_100000709159 [0,1,0,1,0,0|2,0,0]=4 19686 B12R1.130 CC(C)CCOC1CCCC1=O 34a_200000719330_100000210312 [0,1,0,1,0,0|2,0,0]=4 19687 B12R1.130 CC(C)CCOC1CCCC1=O 7a_100000210254_100000211823 [0,1,0,1,0,0|2,0,0]=4 19688 B12R1.130 CC(C)CCOC1CCOC1=O 34a_100000210254_100000211211 [0,1,0,1,0,0|1,0,0]=3 19689 B12R1.130 CC(C)CCOC1CCOC1=O 7a_100000210254_100000211211 [0,1,0,1,0,0|1,0,0]=3 19690 B12R1.130 CC(C)CCO[C@H]1CCNC1=O 34a_100000688343_100000210312 [0,1,0,1,0,0|2,0,0]=4 19691 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000210312_100000211823 [0,1,0,1,0,0|2,0,0]=4 19692 B12R1.130 CC(C)CCSC1CCCC1=O 62a_100000211823_100000210312 [0,1,0,1,0,0|2,0,0]=4 19693 B12R1.130 CC(C)CCSC1CCOC1=O 62a_100000210312_100000211211 [0,1,0,1,0,0|1,0,0]=3 19694 B12R1.130 CC(C)CCSC1CCOC1=O 62a_100000211211_100000210312 [0,1,0,1,0,0|1,0,0]=3 19695 B12R1.130 CC(C)COCC1CCNC1=O 34a_100000133458_100000210624 [0,1,0,1,0,0|2,0,0]=4 19696 B12R1.130 CC(C)OCSC1CCOC1=O 62a_100000211211_100000709892 [0,1,0,1,0,0|2,0,0]=4 19697 B12R1.130 CC(C)OCSC1CCOC1=O 62a_100000709892_100000211211 [0,1,0,1,0,0|2,0,0]=4 19698 B12R1.130 CC(O)CCNC1CCCC1=O 2230a_200000755665_100000211823 [0,1,0,1,0,0|2,0,0]=4 19699 B12R1.130 CC(O)CCNC1CCNC1=O 2230a_100016995588_100012276601 [0,1,0,1,0,0|2,0,0]=4 19700 B12R1.130 CC(O)CCNC1CCNC1=O 34a_100016995588_100012276601 [0,1,0,1,0,0|2,0,0]=4 19701 B12R1.130 CC(O)CCNC1CCOC1=O 2230a_200000755665_100000211211 [0,1,0,1,0,0|1,0,0]=3 19702 B12R1.130 CC(O)CCOC1CCCC1=O 34a_200000719330_100012276601 [0,1,0,1,0,0|2,0,0]=4 19703 B12R1.130 CC(O)CCO[C@H]1CCNC1=O 34a_100000688343_100012276601 [0,1,0,1,0,0|2,0,0]=4 19704 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100000211823_100012276601 [0,1,0,1,0,0|2,0,0]=4 19705 B12R1.130 CC(O)CCSC1CCCC1=O 62a_100012276601_100000211823 [0,1,0,1,0,0|2,0,0]=4 19706 B12R1.130 CC(O)CCSC1CCOC1=O 62a_100000211211_100012276601 [0,1,0,1,0,0|1,0,0]=3 19707 B12R1.130 CC(O)CCSC1CCOC1=O 62a_100012276601_100000211211 [0,1,0,1,0,0|1,0,0]=3 19708 B12R1.130 CC(O)COCC1CCNC1=O 34a_100000133458_100011218427 [0,1,0,1,0,0|2,0,0]=4 19709 B12R1.130 CN(C)CCSC1CCOC1=O 62a_100000211211_100000755713 [0,1,0,1,0,0|2,0,0]=4 19710 B12R1.130 C[C@@H](N)CCOC1CCCC1=O 34a_100000706166_100000709159 [0,1,0,1,0,0|2,0,0]=4 19711 B12R1.130 C[C@@H](N)CCOC1CCOC1=O 34a_100000706166_100000211211 [0,1,0,1,0,0|1,0,0]=3 19712 B12R1.130 C[C@@H](O)COCC1CCNC1=O 34a_100000133458_100009817552 [0,1,0,1,0,0|2,0,0]=4 19713 B12R1.130 O=C1OCCC1OCCC(F)F 34a_100103093639_100000211211 [0,1,0,1,0,0|2,0,0]=4 19714 B12R1.226 C=C(C)CCN1CCOC(=O)C1 2230a_100000131268_100000730704 [0,1,0,1,0,0|1,0,1]=4 19715 B12R1.226 CC(C)CCN1CCNC(=O)C1 2230a_100000184651_100000210312 [0,1,0,1,0,0|2,0,0]=4 19716 B12R1.226 CC(C)CCN1CCOC(=O)C1 2230a_100000131268_100000210312 [0,1,0,1,0,0|1,0,0]=3 19717 B12R1.226 CC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000210760 [0,1,0,1,0,0|2,0,0]=4 19718 B12R1.226 CC(C)CNC1CCNC(=O)C1 34a_100016994916_100000210624 [0,1,0,1,0,0|2,0,0]=4 19719 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [0,1,0,1,0,0|2,0,0]=4 19720 B12R1.226 CC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210624 [0,1,0,1,0,0|2,0,0]=4 19721 B12R1.226 CC(C)OCC1CCNC(=O)C1 34a_100009886756_100000210206 [0,1,0,1,0,0|2,0,0]=4 19722 B12R1.226 CC(C)OCN1CCOC(=O)C1 2230a_100000131268_100000709892 [0,1,0,1,0,0|2,0,0]=4 19723 B12R1.226 CC(O)CCN1CCNC(=O)C1 2230a_100000184651_100012276601 [0,1,0,1,0,0|2,0,0]=4 19724 B12R1.226 CC(O)CCN1CCOC(=O)C1 2230a_100000131268_100012276601 [0,1,0,1,0,0|1,0,0]=3 19725 B12R1.226 CC(O)CNC1CCNC(=O)C1 2230a_100016994916_100011218427 [0,1,0,1,0,0|2,0,0]=4 19726 B12R1.226 CC(O)CNC1CCNC(=O)C1 34a_100016994916_100011218427 [0,1,0,1,0,0|2,0,0]=4 19727 B12R1.226 CC(O)COC1CCCC(=O)C1 34a_100012613340_100011218427 [0,1,0,1,0,0|2,0,0]=4 19728 B12R1.226 CC(O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218427 [0,1,0,1,0,0|2,0,0]=4 19729 B12R1.226 C[C@@H](O)CNC1CCNC(=O)C1 2230a_100016994916_100009817552 [0,1,0,1,0,0|2,0,0]=4 19730 B12R1.226 C[C@@H](O)CNC1CCNC(=O)C1 34a_100016994916_100009817552 [0,1,0,1,0,0|2,0,0]=4 19731 B12R1.226 C[C@@H](O)COC1CCCC(=O)C1 34a_100012613340_100009817552 [0,1,0,1,0,0|2,0,0]=4 19732 B12R1.226 C[C@@H](O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100009817552 [0,1,0,1,0,0|2,0,0]=4 19733 B12R1.317 CCCC(=O)N1CCCC1(C)C 11a_100000761399_100000211992 [0,1,0,1,0,0|2,0,0]=4 19734 B12R1.317 CCCC(=O)N1CCCC1(C)C 1626a_100000761399_100000211992 [0,1,0,1,0,0|2,0,0]=4 19735 B12R1.317 CCCC(=O)N1CCCC1(C)C 240690a_100000761399_100000211992 [0,1,0,1,0,0|2,0,0]=4 19736 B12R1.317 CCCC(=O)N1CCCC1(C)C 527a_100000761399_100000211992 [0,1,0,1,0,0|2,0,0]=4 19737 B12R1.317 CCCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210303 [0,1,0,1,0,0|2,0,0]=4 19738 B12R1.317 CCNC(=O)N1CCCC1(C)C 2708a_100015525214_100000761399 [0,1,0,1,0,0|2,0,0]=4 19739 B12R1.317 CCNC(=O)N1CCCC1(C)C 273464a_100015525214_100000761399 [0,1,0,1,0,0|2,0,0]=4 19740 B12R1.317 CCNC(=O)[C@@H]1CCC[N+]1(C)C 240690a_100015525214_100016991750 [0,1,0,1,0,0|2,0,0]=4 19741 B12R1.317 CCNC(=O)[C@@H]1CCC[N+]1(C)C 527a_100015525214_100016991750 [0,1,0,1,0,0|2,0,0]=4 19742 B12R1.1020 CC(C)CN1CCNC(=O)CC1 2230a_100000698595_100000210760 [0,1,0,1,0,0|2,0,0]=4 19743 B12R1.1020 CC(C)CN1CCNC(=O)CC1 269982a_100000698595_100000210624 [0,1,0,1,0,0|2,0,0]=4 19744 B12R1.1020 CC(C)CN1CCNC(=O)CC1 270004a_100000698595_100000210432 [0,1,0,1,0,0|2,0,0]=4 19745 B12R1.1020 CC(O)CN1CCNC(=O)CC1 2230a_100000698595_100011218427 [0,1,0,1,0,0|2,0,0]=4 19746 B12R1.1020 CC(O)CN1CCNC(=O)CC1 269982a_100000698595_100011218427 [0,1,0,1,0,0|2,0,0]=4 19747 B12R1.1020 C[C@@H](O)CN1CCNC(=O)CC1 2230a_100000698595_100009817552 [0,1,0,1,0,0|2,0,0]=4 19748 B12R1.1020 C[C@@H](O)CN1CCNC(=O)CC1 269982a_100000698595_100009817552 [0,1,0,1,0,0|2,0,0]=4 19749 B12R1.1356 CC(=O)CCCCC(=O)C1CC1 1458a_100000210395_100000735457 [0,1,0,1,0,0|1,0,1]=4 19750 B12R1.1356 CC(Br)CCOCC(=O)C1CC1 34a_100009893172_100000746382 [0,1,0,1,0,0|2,0,0]=4 19751 B12R1.1356 CC(C)CCCCC(=O)C1CC1 1458a_100000210395_100011216152 [0,1,0,1,0,0|1,0,0]=3 19752 B12R1.1356 CC(C)CCCCC(=O)C1CO1 1458a_100000701028_100011216152 [0,1,0,1,0,0|2,0,0]=4 19753 B12R1.1356 CC(C)CCCNC(=O)C1CC1 11a_200000737386_100000210395 [0,1,0,1,0,0|2,0,0]=4 19754 B12R1.1356 CC(C)CCCNC(=O)C1CC1 1626a_200000737386_100000210395 [0,1,0,1,0,0|2,0,0]=4 19755 B12R1.1356 CC(C)CCCNC(=O)C1CC1 240690a_200000737386_100000210395 [0,1,0,1,0,0|2,0,0]=4 19756 B12R1.1356 CC(C)CCCNC(=O)C1CC1 527a_200000737386_100000210395 [0,1,0,1,0,0|2,0,0]=4 19757 B12R1.1356 CC(C)CCOCC(=O)C1CC1 34a_100000210254_100000746382 [0,1,0,1,0,0|2,0,0]=4 19758 B12R1.1356 CC(C)CCOCC(=O)C1CC1 34a_100000686663_100000210312 [0,1,0,1,0,0|2,0,0]=4 19759 B12R1.1356 CC(C)CCOCC(=O)C1CC1 7a_100000210254_100000746382 [0,1,0,1,0,0|2,0,0]=4 19760 B12R1.1356 CC(C)CCSCC(=O)C1CC1 62a_100000210312_100000746382 [0,1,0,1,0,0|2,0,0]=4 19761 B12R1.1356 CC(C)CCSCC(=O)C1CC1 62a_100000746382_100000210312 [0,1,0,1,0,0|2,0,0]=4 19762 B12R1.1356 CC(O)CCNCC(=O)C1CC1 2230a_200000755665_100000746382 [0,1,0,1,0,0|2,0,0]=4 19763 B12R1.1356 CC(O)CCOCC(=O)C1CC1 34a_100000686663_100012276601 [0,1,0,1,0,0|2,0,0]=4 19764 B12R1.1356 CC(O)CCSCC(=O)C1CC1 62a_100000746382_100012276601 [0,1,0,1,0,0|2,0,0]=4 19765 B12R1.1356 CC(O)CCSCC(=O)C1CC1 62a_100012276601_100000746382 [0,1,0,1,0,0|2,0,0]=4 19766 B12R1.1356 C[C@@H](N)CCOCC(=O)C1CC1 34a_100000706166_100000746382 [0,1,0,1,0,0|2,0,0]=4 19767 B12R1.1572 CCOC(=O)CNC1CC1(F)F 2230a_100020610826_100000188475 [0,1,0,1,0,0|2,0,0]=4 19768 B12R1.1572 CCOC(=O)CNC1CC1(F)F 34a_100020610826_100000188475 [0,1,0,1,0,0|2,0,0]=4 19769 B12R1.39 CCNS(=O)(=O)C1CCCCC1 270084a_100015525214_100011219266 [0,1,0,1,0,0|2,0,0]=4 19770 B12R1.39 CCNS(=O)(=O)C1CCCCC1 274078a_100015525214_100011219266 [0,1,0,1,0,0|2,0,0]=4 19771 B12R1.1503 CCNS(=O)(=O)CC1CCCC1 270084a_100015525214_100000688727 [0,1,0,1,0,0|2,0,0]=4 19772 B12R1.1503 CCNS(=O)(=O)CC1CCCC1 274078a_100015525214_100000688727 [0,1,0,1,0,0|2,0,0]=4 19773 B12R2.10 O=C1CCCC1N2CCCC2 2230a_100000188435_100000211823 [0,0,0,2,0,0|2,0,0]=4 19774 B12R2.10 O=C1CCCC1N2CCCC2 269982a_100000188435_100000211823 [0,0,0,2,0,0|2,0,0]=4 19775 B12R2.10 O=C1OCCC1N2CCCC2 2230a_100000188435_100000211211 [0,0,0,2,0,0|1,0,0]=3 19776 B12R2.10 O=C1OCCC1N2CCCC2 269982a_100000188435_100000211211 [0,0,0,2,0,0|1,0,0]=3 19777 B12R2.10 O=C1OCCC1N2CCSC2 2230a_100011215254_100000211211 [0,0,0,2,0,0|2,0,0]=4 19778 B12R2.10 O=C1OCCC1N2CCSC2 269982a_100011215254_100000211211 [0,0,0,2,0,0|2,0,0]=4 19779 B12R2.1479 CCCC(=O)C1C2C1COC2 1458a_100000138910_100000210303 [0,0,0,2,0,0|2,0,0]=4 19780 B12R2.1479 CCNC(=O)C1C2C1COC2 11a_100015525214_100000138910 [0,0,0,2,0,0|2,0,0]=4 19781 B12R2.1479 CCNC(=O)C1C2C1COC2 240690a_100015525214_100000138910 [0,0,0,2,0,0|2,0,0]=4 19782 B12R2.1479 CCNC(=O)C1C2C1COC2 527a_100015525214_100000138910 [0,0,0,2,0,0|2,0,0]=4 19783 B12R2.1488 CCCC(=O)N1CC2CC2C1 11a_100000741873_100000211992 [0,0,0,2,0,0|2,0,0]=4 19784 B12R2.1488 CCCC(=O)N1CC2CC2C1 1626a_100000741873_100000211992 [0,0,0,2,0,0|2,0,0]=4 19785 B12R2.1488 CCCC(=O)N1CC2CC2C1 240690a_100000741873_100000211992 [0,0,0,2,0,0|2,0,0]=4 19786 B12R2.1488 CCCC(=O)N1CC2CC2C1 527a_100000741873_100000211992 [0,0,0,2,0,0|2,0,0]=4 19787 B12R2.1488 CCNC(=O)N1CC2CC2C1 2708a_100015525214_100000741873 [0,0,0,2,0,0|2,0,0]=4 19788 B12R2.1488 CCNC(=O)N1CC2CC2C1 273464a_100015525214_100000741873 [0,0,0,2,0,0|2,0,0]=4 19789 B12R2.2075 O=C(C1CC1)C2CCCOC2 1458a_100000210395_100000693364 [0,0,0,2,0,0|2,0,0]=4 19790 B12R2.2075 O=C(C1CCCCC1)C2CC2 1458a_100000210395_100000210327 [0,0,0,2,0,0|1,0,0]=3 19791 B12R2.2075 O=C(C1CCCCC1)C2CO2 1458a_100000701028_100000210327 [0,0,0,2,0,0|2,0,0]=4 19792 B12R2.2075 O=C(C1CCOCC1)C2CC2 1458a_100000210395_100011324220 [0,0,0,2,0,0|2,0,0]=4 19793 B12R2.612 CN1CCN2C(=O)CCC2C1 2230a_100020639069_200000210301 [0,0,0,2,0,0|2,0,0]=4 19794 B12R2.612 CN1CCN2C(=O)CCC2C1 269982a_100020639069_200000210301 [0,0,0,2,0,0|2,0,0]=4 19795 B12R2.612 CN1CCN2C(=O)CCC2C1 34a_100020639069_200000210301 [0,0,0,2,0,0|2,0,0]=4 19796 B12R2.612 [13CH3]N1CCN2C(=O)CCC2C1 2230a_100020639069_200025704644 [0,0,0,2,0,0|2,0,0]=4 19797 B12R2.612 [13CH3]N1CCN2C(=O)CCC2C1 269982a_100020639069_200025704644 [0,0,0,2,0,0|2,0,0]=4 19798 B12R2.612 [13CH3]N1CCN2C(=O)CCC2C1 34a_100020639069_200025704644 [0,0,0,2,0,0|2,0,0]=4 19799 B12R2.1286 O=C1CC(CCN1)NC2CC2 34a_100016994916_100000211595 [0,0,0,2,0,0|2,0,0]=4 19800 B12R2.1286 O=C1CCCC(C1)OC2CC2 34a_100012613340_100000211595 [0,0,0,2,0,0|2,0,0]=4 19801 B12R2.1286 O=C1CN(CCN1)CC2CC2 2230a_100000184651_100000742324 [0,0,0,2,0,0|2,0,0]=4 19802 B12R2.1286 O=C1CN(CCO1)CC2CC2 2230a_100000131268_100000742324 [0,0,0,2,0,0|1,0,0]=3 19803 B12R2.1286 O=C1CN(CCO1)CC2CO2 2230a_100000131268_100011216344 [0,0,0,2,0,0|2,0,0]=4 19804 B12R2.1286 O=C1C[C@@H](CCN1)OC2CC2 34a_100015189427_100000211595 [0,0,0,2,0,0|2,0,0]=4 19805 B12R2.2313 O=C1CN(CCN1)C2CCC2 270004a_100000184651_100000241760 [0,0,0,2,0,0|2,0,0]=4 19806 B12R2.2313 O=C1CN(CCO1)C2CCC2 270004a_100000131268_100000241760 [0,0,0,2,0,0|1,0,0]=3 19807 B12R2.1423 O=C(CC1CCCC1)C2CC2 1458a_100000210395_100000740388 [0,0,0,2,0,0|1,0,0]=3 19808 B12R2.1423 O=C(CC1CCCC1)C2CO2 1458a_100000701028_100000740388 [0,0,0,2,0,0|2,0,0]=4 19809 B12R2.1423 O=C(CC1CCCO1)C2CC2 1458a_100000210395_100000203698 [0,0,0,2,0,0|2,0,0]=4 19810 B12R2.1423 O=C(CC1CCOC1)C2CC2 1458a_100000210395_100000702531 [0,0,0,2,0,0|2,0,0]=4 19811 B12R2.1423 O=C(CN1CCCC1)C2CC2 2230a_100000188435_100000746382 [0,0,0,2,0,0|2,0,0]=4 19812 B12R2.1423 O=C(CN1CCCC1)C2CC2 269982a_100000188435_100000746382 [0,0,0,2,0,0|2,0,0]=4 19813 B12R2.1423 O=C(NC1CCCC1)C2CC2 11a_100000211070_100000210395 [0,0,0,2,0,0|2,0,0]=4 19814 B12R2.1423 O=C(NC1CCCC1)C2CC2 1626a_100000211070_100000210395 [0,0,0,2,0,0|2,0,0]=4 19815 B12R2.1423 O=C(NC1CCCC1)C2CC2 240690a_100000211070_100000210395 [0,0,0,2,0,0|2,0,0]=4 19816 B12R2.1423 O=C(NC1CCCC1)C2CC2 527a_100000211070_100000210395 [0,0,0,2,0,0|2,0,0]=4 19817 B12R2.3429 CCCC(=O)C1CC12CCC2 1458a_100000687150_100000210303 [0,0,0,2,0,0|1,0,0]=3 19818 B12R2.3429 CCNC(=O)C1CC12CCC2 11a_100015525214_100000687150 [0,0,0,2,0,0|1,0,0]=3 19819 B12R2.3429 CCNC(=O)C1CC12CCC2 240690a_100015525214_100000687150 [0,0,0,2,0,0|1,0,0]=3 19820 B12R2.3429 CCNC(=O)C1CC12CCC2 527a_100015525214_100000687150 [0,0,0,2,0,0|1,0,0]=3 19821 B12R2.3429 CNNC(=O)C1CC12CCC2 22a_100016993582_100000687150 [0,0,0,2,0,0|2,0,0]=4 19822 B12R2.3429 O=C(CCF)C1CC12CCC2 1458a_100000687150_100011217306 [0,0,0,2,0,0|2,0,0]=4 19823 B12R2.3429 O=C(CCO)C1CC12CCC2 1458a_100000687150_100000211926 [0,0,0,2,0,0|2,0,0]=4 19824 B12R2.469 O=C1CCN(CCN1)C2CC2 269982a_100000698595_100000211595 [0,0,0,2,0,0|2,0,0]=4 19825 B12R2.110 CC1CCN1C2CCCC2=O 269982a_100000755817_100000211823 [0,0,0,2,0,0|2,0,0]=4 19826 B12R2.110 CC1CCN1C2CCCC2=O 34a_100000755817_100000709159 [0,0,0,2,0,0|2,0,0]=4 19827 B12R2.110 CC1CCN1C2CCOC2=O 269982a_100000755817_100000211211 [0,0,0,2,0,0|1,0,0]=3 19828 B12R2.110 CC1CCN1C2CCOC2=O 34a_100000755817_100000211211 [0,0,0,2,0,0|1,0,0]=3 19829 B12R2.211 O=C1OCCC1N[C@@H]2C[C@@H]2F 2230a_100015190264_100000211211 [0,0,0,2,0,0|2,0,0]=4 19830 B12R2.211 O=C1OCCC1N[C@@H]2C[C@H]2F 2230a_100025746932_100000211211 [0,0,0,2,0,0|2,0,0]=4 19831 B12R2.211 O=C1OCCC1N[C@@H]2C[C@H]2F 34a_100025746932_100000211211 [0,0,0,2,0,0|2,0,0]=4 19832 B12R2.466 O=C1CCCC1NCC2CC2 2230a_100000735609_100000211823 [0,0,0,2,0,0|2,0,0]=4 19833 B12R2.466 O=C1CCCC1NCC2CC2 34a_100000735609_100000709159 [0,0,0,2,0,0|2,0,0]=4 19834 B12R2.466 O=C1CCCC1OCC2CC2 34a_100000211283_100000709159 [0,0,0,2,0,0|2,0,0]=4 19835 B12R2.466 O=C1CCCC1OCC2CC2 34a_200000719330_100000742324 [0,0,0,2,0,0|2,0,0]=4 19836 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000211823_100000742324 [0,0,0,2,0,0|2,0,0]=4 19837 B12R2.466 O=C1CCCC1SCC2CC2 62a_100000756562_100000211823 [0,0,0,2,0,0|2,0,0]=4 19838 B12R2.466 O=C1NCCC1COC2CC2 34a_100000133458_100000211595 [0,0,0,2,0,0|2,0,0]=4 19839 B12R2.466 O=C1NCCC1NCC2CC2 2230a_100016995588_100000742324 [0,0,0,2,0,0|2,0,0]=4 19840 B12R2.466 O=C1NCCC1NCC2CC2 34a_100016995588_100000742324 [0,0,0,2,0,0|2,0,0]=4 19841 B12R2.466 O=C1NCC[C@@H]1OCC2CC2 34a_100000688343_100000742324 [0,0,0,2,0,0|2,0,0]=4 19842 B12R2.466 O=C1OCCC1NCC2CC2 2230a_100000735609_100000211211 [0,0,0,2,0,0|1,0,0]=3 19843 B12R2.466 O=C1OCCC1NCC2CC2 34a_100000735609_100000211211 [0,0,0,2,0,0|1,0,0]=3 19844 B12R2.466 O=C1OCCC1OCC2CC2 34a_100000211283_100000211211 [0,0,0,2,0,0|1,0,0]=3 19845 B12R2.466 O=C1OCCC1OC[C@@H]2CO2 34a_100000757423_100000211211 [0,0,0,2,0,0|2,0,0]=4 19846 B12R2.466 O=C1OCCC1SCC2CC2 62a_100000211211_100000742324 [0,0,0,2,0,0|1,0,0]=3 19847 B12R2.466 O=C1OCCC1SCC2CC2 62a_100000756562_100000211211 [0,0,0,2,0,0|1,0,0]=3 19848 B12R2.466 O=C1OCCC1SCC2CO2 62a_100000211211_102125554688 [0,0,0,2,0,0|2,0,0]=4 19849 B12R2.466 O=C1OCCC1SCC2CO2 62a_102125554688_100000211211 [0,0,0,2,0,0|2,0,0]=4 19850 B12R2.466 O=C1OCCC1SCC2CS2 62a_100000031435_100000211211 [0,0,0,2,0,0|2,0,0]=4 19851 B12R2.466 O=C1OCCC1SCC2CS2 62a_100000211211_100000031435 [0,0,0,2,0,0|2,0,0]=4 19852 B12R2.466 O=C1OCCC1SC[C@@H]2CO2 62a_100000211211_100000745022 [0,0,0,2,0,0|2,0,0]=4 19853 B12R2.466 O=C1OCCC1SC[C@@H]2CO2 62a_100000745022_100000211211 [0,0,0,2,0,0|2,0,0]=4 19854 B12R2.1114 O=C1CCCC1NC2CCC2 2230a_100000749019_100000211823 [0,0,0,2,0,0|2,0,0]=4 19855 B12R2.1114 O=C1CCCC1NC2CCC2 34a_100000749019_100000709159 [0,0,0,2,0,0|2,0,0]=4 19856 B12R2.1114 O=C1CCCC1OC2CCC2 34a_100000748187_100000709159 [0,0,0,2,0,0|2,0,0]=4 19857 B12R2.1114 O=C1CCCC1OC2CCC2 34a_200000719330_100000749161 [0,0,0,2,0,0|2,0,0]=4 19858 B12R2.1114 O=C1CCCC1SC2CCC2 62a_100000211823_100000749161 [0,0,0,2,0,0|2,0,0]=4 19859 B12R2.1114 O=C1NCCC1NC2CCC2 270004a_100016995588_100000241760 [0,0,0,2,0,0|2,0,0]=4 19860 B12R2.1114 O=C1NCCC1NC2CCC2 34a_100016995588_100000749161 [0,0,0,2,0,0|2,0,0]=4 19861 B12R2.1114 O=C1NCC[C@@H]1OC2CCC2 34a_100000688343_100000749161 [0,0,0,2,0,0|2,0,0]=4 19862 B12R2.1114 O=C1OCCC1NC2CCC2 2230a_100000749019_100000211211 [0,0,0,2,0,0|1,0,0]=3 19863 B12R2.1114 O=C1OCCC1NC2CCC2 34a_100000749019_100000211211 [0,0,0,2,0,0|1,0,0]=3 19864 B12R2.1114 O=C1OCCC1NC2COC2 2230a_100016991112_100000211211 [0,0,0,2,0,0|2,0,0]=4 19865 B12R2.1114 O=C1OCCC1OC2CCC2 34a_100000748187_100000211211 [0,0,0,2,0,0|1,0,0]=3 19866 B12R2.1114 O=C1OCCC1OC2CSC2 7a_100000072292_100000211211 [0,0,0,2,0,0|2,0,0]=4 19867 B12R2.1114 O=C1OCCC1SC2CCC2 62a_100000211211_100000749161 [0,0,0,2,0,0|1,0,0]=3 19868 B12R2.1114 O=C1OCCC1SC2COC2 62a_100000211211_100009818527 [0,0,0,2,0,0|2,0,0]=4 19869 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CC2 11a_100015189458_100000210395 [0,0,0,2,0,0|2,0,0]=4 19870 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CC2 240690a_100015189458_100000210395 [0,0,0,2,0,0|2,0,0]=4 19871 B12R2.2372 C[C@@H]1CCCN1C(=O)C2CC2 527a_100015189458_100000210395 [0,0,0,2,0,0|2,0,0]=4 19872 B12R2.2372 C[C@H]1CCCN1C(=O)C2CC2 240690a_100020605311_100000210395 [0,0,0,2,0,0|2,0,0]=4 19873 B12R2.2372 C[C@H]1CCCN1C(=O)C2CC2 527a_100020605311_100000210395 [0,0,0,2,0,0|2,0,0]=4 19874 B12R2.4795 O=C(CNC1CCC1)C2CC2 2230a_100000749019_100000746382 [0,0,0,2,0,0|2,0,0]=4 19875 B12R2.4795 O=C(CNC1CCC1)C2CC2 34a_100000749019_100000746382 [0,0,0,2,0,0|2,0,0]=4 19876 B12R2.4795 O=C(COC1CCC1)C2CC2 34a_100000686663_100000749161 [0,0,0,2,0,0|2,0,0]=4 19877 B12R2.4795 O=C(COC1CCC1)C2CC2 34a_100000748187_100000746382 [0,0,0,2,0,0|2,0,0]=4 19878 B12R2.4795 O=C(CSC1CCC1)C2CC2 62a_100000746382_100000749161 [0,0,0,2,0,0|2,0,0]=4 19879 B12R2.4795 O=C(NCC1CCC1)C2CC2 11a_100000738700_100000210395 [0,0,0,2,0,0|2,0,0]=4 19880 B12R2.4795 O=C(NCC1CCC1)C2CC2 1626a_100000738700_100000210395 [0,0,0,2,0,0|2,0,0]=4 19881 B12R2.4795 O=C(NCC1CCC1)C2CC2 240690a_100000738700_100000210395 [0,0,0,2,0,0|2,0,0]=4 19882 B12R2.4795 O=C(NCC1CCC1)C2CC2 527a_100000738700_100000210395 [0,0,0,2,0,0|2,0,0]=4 19883 B12R2.4794 O=C(CCCC1CO1)C2CC2 1458a_100000210395_100000733510 [0,0,0,2,0,0|2,0,0]=4 19884 B12R2.4794 O=C(CNCC1CC1)C2CC2 2230a_100000735609_100000746382 [0,0,0,2,0,0|2,0,0]=4 19885 B12R2.4794 O=C(CNCC1CC1)C2CC2 34a_100000735609_100000746382 [0,0,0,2,0,0|2,0,0]=4 19886 B12R2.4794 O=C(COCC1CC1)C2CC2 34a_100000211283_100000746382 [0,0,0,2,0,0|2,0,0]=4 19887 B12R2.4794 O=C(COCC1CC1)C2CC2 34a_100000686663_100000742324 [0,0,0,2,0,0|2,0,0]=4 19888 B12R2.4794 O=C(CSCC1CC1)C2CC2 62a_100000746382_100000742324 [0,0,0,2,0,0|2,0,0]=4 19889 B12R2.4794 O=C(CSCC1CC1)C2CC2 62a_100000756562_100000746382 [0,0,0,2,0,0|2,0,0]=4 19890 B12R2.4794 O=C(NCCC1CC1)C2CC2 1626a_100000764129_100000210395 [0,0,0,2,0,0|2,0,0]=4 19891 B12R2.4794 O=C(NCCC1CC1)C2CC2 240690a_100000764129_100000210395 [0,0,0,2,0,0|2,0,0]=4 19892 B12R2.4794 O=C(NCCC1CC1)C2CC2 527a_100000764129_100000210395 [0,0,0,2,0,0|2,0,0]=4 19893 B12R2.1297 CC1CCN1CC(=O)C2CC2 269982a_100000755817_100000746382 [0,0,0,2,0,0|2,0,0]=4 19894 B12R2.1297 CC1CCN1CC(=O)C2CC2 34a_100000755817_100000746382 [0,0,0,2,0,0|2,0,0]=4