0 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100000211969_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B11R0.4 C#CCC(=O)CCCCCCC 1458a_100011220946_100000210614 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.4 C#CCC(=O)CCCCCCF 1458a_100011220946_100015922095 [0,0,0,0,0,0|2,0,2]=4 3 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011220946_100000766143 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.4 C#CCC(=O)CCCCCCO 1458a_100011996774_100000184674 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.4 C#CCC(=O)CCCCCOC 1458a_100011935119_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B11R0.4 C#CCC(=O)CCOCCCC 1458a_100011220946_100000743108 [0,0,0,0,0,0|2,0,2]=4 7 B11R0.4 C#CCC(=O)NCCCCCC 1626a_100000210581_100011220946 [0,0,0,0,0,0|2,0,2]=4 8 B11R0.4 C#CCC(=O)NCCCCCC 527a_100000210581_100011220946 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.4 C#CCCCCCC(=O)C#CC 1458a_100000763181_100012094781 [0,0,0,0,0,0|1,0,3]=4 10 B11R0.4 C#CCCCCCC(=O)C=CC 1458a_100000210699_100012094781 [0,0,0,0,0,0|1,0,3]=4 11 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,0,0,0,0,0|1,0,2]=3 12 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.4 C#CCCCCCC(=O)CCF 1458a_100000694772_100011217306 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,0,0,0,0,0|2,0,2]=4 15 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.4 C#CCCCCCC(=O)CSC 1458a_100000184570_100012094781 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,0,0,0,0,0|1,0,2]=3 19 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.4 C#CCCCCCC(=O)NNC 22a_100016993582_100000694772 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.4 C#CCCCCNC(=O)CCC 11a_100000706060_100000211992 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.4 C#CCCCCNC(=O)CCC 1626a_100000706060_100000211992 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.4 C#CCCCCNC(=O)CCC 240690a_100000706060_100000211992 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.4 C#CCCCCNC(=O)CCC 527a_100000706060_100000211992 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100000706060_100015525214 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100015525214_100000706060 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100000706060_100015525214 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100015525214_100000706060 [0,0,0,0,0,0|2,0,2]=4 30 B11R0.4 C#CCCCCNC(=O)NCC 512a_100000706060_100015525214 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.4 C#CCCCCNC(=O)NCC 512a_100015525214_100000706060 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.4 C#CCCCNCC(=O)NCC 2230a_100016988866_100000731252 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.4 C#CCCCNCC(=O)NCC 34a_100000718082_100000183381 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,0,0,0,0,0|1,0,2]=3 35 B11R0.4 C#CCCCOCC(=O)CCC 7a_100000215630_100000747444 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.4 C#CCCCOCC(=O)NCC 34a_100000215630_100000183381 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.4 C#CCCCOCC(=O)NCC 7a_100000215630_100000183381 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,0,0,0,0,0|1,0,2]=3 40 B11R0.4 C#CCCCSCC(=O)CCC 62a_100000747444_100011215417 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.4 C#CCCCSCC(=O)CCC 62a_100011215417_100000747444 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.4 C#CCCCSCC(=O)NCC 62a_100000183381_100011215417 [0,0,0,0,0,0|2,0,2]=4 43 B11R0.4 C#CCCCSCC(=O)NCC 62a_100011215417_100000183381 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,0,0,0,0,0|1,0,2]=3 45 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,0,0,0,0,0|1,0,2]=3 46 B11R0.4 C#CCCNCCC(=O)NCC 34a_100025743525_100000688953 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [0,0,0,0,0,0|1,0,2]=3 48 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [0,0,0,0,0,0|1,0,2]=3 49 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000688953_100000737597 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000737597_100000688953 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [0,0,0,0,0,0|1,0,2]=3 52 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [0,0,0,0,0,0|1,0,2]=3 53 B11R0.4 C#CCCSCOC(=O)OCC 62a_100000688953_100000075025 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [0,0,0,0,0,0|1,0,2]=3 55 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [0,0,0,0,0,0|1,0,2]=3 56 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [0,0,0,0,0,0|1,0,2]=3 57 B11R0.4 C#CCOCCNC(=O)OCC 34a_100000158857_100000184674 [0,0,0,0,0,0|2,0,2]=4 58 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [0,0,0,0,0,0|1,0,2]=3 59 B11R0.4 C#CCSCCNC(=O)OCC 62a_100000038162_200011445536 [0,0,0,0,0,0|2,0,2]=4 60 B11R0.4 C/C=C/CCOCC(=O)NCC 34a_100016278192_100000183381 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,0,0,0,0,0|1,0,2]=3 62 B11R0.4 C/C=C/CNCCC(=O)NCC 34a_100025743525_100102629194 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,0,0,0,0,0|1,0,2]=3 64 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100000737597_100102629194 [0,0,0,0,0,0|2,0,2]=4 65 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100102629194_100000737597 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,0,0,0,0,0|1,0,2]=3 67 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,0,0,0,0,0|1,0,2]=3 68 B11R0.4 C/C=C/CSCOC(=O)OCC 62a_100102629194_100000075025 [0,0,0,0,0,0|2,0,2]=4 69 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000210193_100000210614 [0,0,0,0,0,0|1,0,2]=3 70 B11R0.4 C=CCC(=O)CCCCCCC 1458a_100000211969_100000210623 [0,0,0,0,0,0|1,0,2]=3 71 B11R0.4 C=CCC(=O)CCCCCCF 1458a_100000210193_100015922095 [0,0,0,0,0,0|2,0,2]=4 72 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100000210193_100000766143 [0,0,0,0,0,0|2,0,2]=4 73 B11R0.4 C=CCC(=O)CCCCCCO 1458a_100011996774_100000210623 [0,0,0,0,0,0|2,0,2]=4 74 B11R0.4 C=CCC(=O)CCCCCOC 1458a_100011935119_100000210623 [0,0,0,0,0,0|2,0,2]=4 75 B11R0.4 C=CCC(=O)CCOCCCC 1458a_100000210193_100000743108 [0,0,0,0,0,0|2,0,2]=4 76 B11R0.4 C=CCC(=O)NCCCCCC 11a_100000210581_100000210193 [0,0,0,0,0,0|2,0,2]=4 77 B11R0.4 C=CCC(=O)NCCCCCC 1626a_100000210581_100000210193 [0,0,0,0,0,0|2,0,2]=4 78 B11R0.4 C=CCC(=O)NCCCCCC 240690a_100000210581_100000210193 [0,0,0,0,0,0|2,0,2]=4 79 B11R0.4 C=CCC(=O)NCCCCCC 527a_100000210581_100000210193 [0,0,0,0,0,0|2,0,2]=4 80 B11R0.4 C=CCCCCCC(=O)C#CC 1458a_100000763181_100000700193 [0,0,0,0,0,0|1,0,3]=4 81 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,0,0,0,0,0|1,0,3]=4 82 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,0,0,0,0,0|1,0,2]=3 83 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,0,0,0,0,0|1,0,2]=3 84 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,0,0,0,0,0|2,0,2]=4 85 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,0,0,0,0,0|2,0,2]=4 86 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,0,0,0,0,0|2,0,2]=4 87 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,0,0,0,0,0|2,0,2]=4 88 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,0,0,0,0,0|2,0,2]=4 89 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,0,0,0,0,0|1,0,2]=3 90 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,0,0,0,0,0|1,0,2]=3 91 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,0,0,0,0,0|1,0,2]=3 92 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,0,0,0,0,0|2,0,2]=4 93 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,0,0,0,0,0|2,0,2]=4 94 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,0,0,0,0,0|2,0,2]=4 95 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,0,0,0,0,0|2,0,2]=4 96 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,0,0,0,0,0|2,0,2]=4 97 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,0,0,0,0,0|2,0,2]=4 98 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,0,0,0,0,0|2,0,2]=4 99 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,0,0,0,0,0|2,0,2]=4 100 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,0,0,0,0,0|2,0,2]=4 101 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,0,0,0,0,0|2,0,2]=4 102 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100000700776_100000183381 [0,0,0,0,0,0|2,0,2]=4 105 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100016988866_100011713584 [0,0,0,0,0,0|2,0,2]=4 106 B11R0.4 C=CCCCNCC(=O)NCC 34a_100000700776_100000183381 [0,0,0,0,0,0|2,0,2]=4 107 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,0,0,0,0,0|1,0,2]=3 108 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,0,0,0,0,0|1,0,2]=3 109 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,0,0,0,0,0|2,0,2]=4 110 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,0,0,0,0,0|2,0,2]=4 111 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,0,0,0,0,0|2,0,2]=4 112 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,0,0,0,0,0|1,0,2]=3 113 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,0,0,0,0,0|1,0,2]=3 114 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,0,0,0,0,0|2,0,2]=4 115 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,0,0,0,0,0|2,0,2]=4 116 B11R0.4 C=CCCCSCC(=O)NCC 62a_100000183381_100000757094 [0,0,0,0,0,0|2,0,2]=4 117 B11R0.4 C=CCCCSCC(=O)NCC 62a_100011713584_100000183381 [0,0,0,0,0,0|2,0,2]=4 118 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,0,0,0,0,0|1,0,2]=3 119 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,0,0,0,0,0|1,0,2]=3 120 B11R0.4 C=CCCNCCC(=O)NCC 2230a_100015191253_100000737597 [0,0,0,0,0,0|2,0,2]=4 121 B11R0.4 C=CCCNCCC(=O)NCC 34a_100025743525_100000754431 [0,0,0,0,0,0|2,0,2]=4 122 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,0,0,0,0,0|1,0,2]=3 123 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,0,0,0,0,0|1,0,2]=3 124 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000737597_100000754431 [0,0,0,0,0,0|2,0,2]=4 125 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000754431_100000737597 [0,0,0,0,0,0|2,0,2]=4 126 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,0,0,0,0,0|1,0,2]=3 127 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,0,0,0,0,0|1,0,2]=3 128 B11R0.4 C=CCCSCOC(=O)OCC 62a_100000754431_100000075025 [0,0,0,0,0,0|2,0,2]=4 129 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,0,0,0,0,0|1,0,2]=3 130 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,0,0,0,0,0|1,0,2]=3 131 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,0,0,0,0,0|1,0,2]=3 132 B11R0.4 C=CCOCCNC(=O)OCC 34a_100000158857_100015514636 [0,0,0,0,0,0|2,0,2]=4 133 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,0,0,0,0,0|1,0,2]=3 134 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,0,0,0,0,0|1,0,2]=3 135 B11R0.4 C=CCSCCNC(=O)OCC 62a_100000210623_200011445536 [0,0,0,0,0,0|2,0,2]=4 136 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,0,0,0,0,0|1,0,2]=3 137 B11R0.4 C=COC(=O)CNCCCCO 2230a_100000750430_100000036128 [0,0,0,0,0,0|2,0,2]=4 138 B11R0.4 C=COC(=O)CNCCCCO 34a_100000750430_100000036128 [0,0,0,0,0,0|2,0,2]=4 139 B11R0.4 C=COC(=O)CNCCCOC 34a_100150723488_100000036128 [0,0,0,0,0,0|2,0,2]=4 140 B11R0.4 C=COC(=O)CNCCCSC 2230a_100000749238_100000036128 [0,0,0,0,0,0|2,0,2]=4 141 B11R0.4 C=COC(=O)CNCCOCC 2230a_102516460346_100000036128 [0,0,0,0,0,0|2,0,2]=4 142 B11R0.4 C=COC(=O)CNCCOCC 34a_102516460346_100000036128 [0,0,0,0,0,0|2,0,2]=4 143 B11R0.4 C=COC(=O)CNCCSCC 2230a_100000106463_100000036128 [0,0,0,0,0,0|2,0,2]=4 144 B11R0.4 C=COC(=O)COCCCCBr 34a_100011216708_100000036128 [0,0,0,0,0,0|2,0,2]=4 145 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,0,0,0,0,0|1,0,2]=3 146 B11R0.4 C=COC(=O)COCCCCCl 34a_100000210776_100000036128 [0,0,0,0,0,0|2,0,2]=4 147 B11R0.4 C=COC(=O)COCCCCF 34a_100011995726_100000036128 [0,0,0,0,0,0|2,0,2]=4 148 B11R0.4 C=COC(=O)COCCCCI 34a_200012148704_100000036128 [0,0,0,0,0,0|2,0,2]=4 149 B11R0.4 C=COC(=O)COCCCCN 34a_100000750430_100000036128 [0,0,0,0,0,0|2,0,2]=4 150 B11R0.4 C=COC(=O)COCCCNC 34a_100000213112_100000036128 [0,0,0,0,0,0|2,0,2]=4 151 B11R0.4 C=COC(=O)COCCCOC 34a_100000740835_100000036128 [0,0,0,0,0,0|2,0,2]=4 152 B11R0.4 C=COC(=O)COCCCSC 34a_100000690336_100000036128 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.4 C=COC(=O)COCCOCC 34a_100000210136_100000036128 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.4 C=COC(=O)COCCSCC 34a_100000212035_100000036128 [0,0,0,0,0,0|2,0,2]=4 155 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,0,0,0,0,0|1,0,2]=3 156 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,0,0,0,0,0|1,0,2]=3 157 B11R0.4 C=COC(=O)CSCCCCF 62a_100000036128_100000729493 [0,0,0,0,0,0|2,0,2]=4 158 B11R0.4 C=COC(=O)CSCCCCF 62a_100000729493_100000036128 [0,0,0,0,0,0|2,0,2]=4 159 B11R0.4 C=COC(=O)CSCCCCO 62a_100000036128_100000210776 [0,0,0,0,0,0|2,0,2]=4 160 B11R0.4 C=COC(=O)CSCCCCO 62a_100000210776_100000036128 [0,0,0,0,0,0|2,0,2]=4 161 B11R0.4 C=COC(=O)CSCCCOC 62a_100000036128_100000709357 [0,0,0,0,0,0|2,0,2]=4 162 B11R0.4 C=COC(=O)CSCCCOC 62a_100000709357_100000036128 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.4 C=COC(=O)CSCCOCC 62a_100000036128_100011215890 [0,0,0,0,0,0|2,0,2]=4 164 B11R0.4 C=COC(=O)CSCCOCC 62a_100000210147_100000036128 [0,0,0,0,0,0|2,0,2]=4 165 B11R0.4 C=COC(=O)CSCCSCC 62a_100000036128_100000757381 [0,0,0,0,0,0|2,0,2]=4 166 B11R0.4 C=COC(=O)CSCCSCC 62a_100000757381_100000036128 [0,0,0,0,0,0|2,0,2]=4 167 B11R0.4 C=COCCOCC(=O)OCC 34a_100000033082_100000188475 [0,0,0,0,0,0|2,0,2]=4 168 B11R0.4 C=COCCSCC(=O)OCC 62a_100000039644_100000188475 [0,0,0,0,0,0|2,0,2]=4 169 B11R0.4 C=COCCSCC(=O)OCC 62a_100000188475_100000039644 [0,0,0,0,0,0|2,0,2]=4 170 B11R0.4 CC#CC(=O)CCCCCC#N 1458a_100000763181_100009813376 [0,0,0,0,0,0|2,0,2]=4 171 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,0,0,0,0,0|1,0,1]=2 172 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,0,0,0,0,0|2,0,1]=3 173 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,0,0,0,0,0|2,0,1]=3 174 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,0,0,0,0,0|2,0,1]=3 175 B11R0.4 CC#CC(=O)CCOCCOC 1458a_100000763181_100000695917 [0,0,0,0,0,0|3,0,1]=4 176 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,0,0,0,0,0|3,0,1]=4 177 B11R0.4 CC#CCCOCC(=O)NCC 34a_100000750427_100000183381 [0,0,0,0,0,0|2,0,2]=4 178 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,0,0,0,0,0|1,0,2]=3 179 B11R0.4 CC#CCNCCC(=O)NCC 2230a_100000685387_100000737597 [0,0,0,0,0,0|2,0,2]=4 180 B11R0.4 CC#CCNCCC(=O)NCC 34a_100025743525_100000748600 [0,0,0,0,0,0|2,0,2]=4 181 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [0,0,0,0,0,0|1,0,2]=3 182 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [0,0,0,0,0,0|1,0,2]=3 183 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [0,0,0,0,0,0|1,0,2]=3 184 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000737597_100000748600 [0,0,0,0,0,0|2,0,2]=4 185 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000748600_100000737597 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [0,0,0,0,0,0|1,0,2]=3 187 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [0,0,0,0,0,0|1,0,2]=3 188 B11R0.4 CC#CCSCOC(=O)OCC 62a_100000748600_100000075025 [0,0,0,0,0,0|2,0,2]=4 189 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,0,0,0,0,0|2,0,2]=4 190 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,0,0,0,0,0|1,0,2]=3 192 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,0,0,0,0,0|2,0,2]=4 194 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,0,0,0,0,0|2,0,2]=4 196 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,0,0,0,0,0|1,0,2]=3 197 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,0,0,0,0,0|1,0,2]=3 198 B11R0.4 CC=CC(=O)CCCCCC#N 1458a_100000210699_100009813376 [0,0,0,0,0,0|2,0,2]=4 199 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,0,0,0,0,0|1,0,1]=2 200 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,0,0,0,0,0|2,0,1]=3 201 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,0,0,0,0,0|2,0,1]=3 202 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,0,0,0,0,0|2,0,1]=3 203 B11R0.4 CC=CC(=O)CCOCCOC 1458a_100000210699_100000695917 [0,0,0,0,0,0|3,0,1]=4 204 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,0,0,0,0,0|2,0,1]=3 205 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,0,0,0,0,0|2,0,1]=3 206 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,0,0,0,0,0|2,0,1]=3 207 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,0,0,0,0,0|3,0,1]=4 208 B11R0.4 CC=CC(=O)NCCCOCC 11a_100000210961_100000210699 [0,0,0,0,0,0|3,0,1]=4 209 B11R0.4 CC=CC(=O)NCCCOCC 1626a_100000210961_100000210699 [0,0,0,0,0,0|3,0,1]=4 210 B11R0.4 CC=CC(=O)NCCCOCC 240690a_100000210961_100000210699 [0,0,0,0,0,0|3,0,1]=4 211 B11R0.4 CC=CC(=O)NCCOCCC 1626a_100161115042_100000210699 [0,0,0,0,0,0|3,0,1]=4 212 B11R0.4 CC=CC(=O)NCCOCCC 240690a_100161115042_100000210699 [0,0,0,0,0,0|3,0,1]=4 213 B11R0.4 CC=CC(=O)NCCSCCC 11a_100020603323_100000210699 [0,0,0,0,0,0|3,0,1]=4 214 B11R0.4 CC=CC(=O)NCCSCCC 240690a_100020603323_100000210699 [0,0,0,0,0,0|3,0,1]=4 215 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,0,0,0,0,0|3,0,1]=4 216 B11R0.4 CC=CCNCCC(=O)NCC 34a_100025743525_100000070051 [0,0,0,0,0,0|2,0,2]=4 217 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000070051_100000737597 [0,0,0,0,0,0|2,0,2]=4 218 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000737597_100000070051 [0,0,0,0,0,0|2,0,2]=4 219 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,0,0,0,0,0|1,0,2]=3 220 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,0,0,0,0,0|1,0,2]=3 221 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,0,0,0,0,0|2,0,2]=4 222 B11R0.4 CCC#CCNCC(=O)NCC 2230a_100016988866_100009813939 [0,0,0,0,0,0|2,0,2]=4 223 B11R0.4 CCC#CCOCC(=O)NCC 34a_100000032950_100000183381 [0,0,0,0,0,0|2,0,2]=4 224 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,0,0,0,0,0|1,0,2]=3 225 B11R0.4 CCC#CCSCC(=O)CCC 62a_100000747444_100009813939 [0,0,0,0,0,0|2,0,2]=4 226 B11R0.4 CCC#CCSCC(=O)CCC 62a_100009813939_100000747444 [0,0,0,0,0,0|2,0,2]=4 227 B11R0.4 CCC#CCSCC(=O)NCC 62a_100000183381_100009813939 [0,0,0,0,0,0|2,0,2]=4 228 B11R0.4 CCC#CCSCC(=O)NCC 62a_100009813939_100000183381 [0,0,0,0,0,0|2,0,2]=4 229 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [0,0,0,0,0,0|1,0,2]=3 230 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [0,0,0,0,0,0|1,0,2]=3 231 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,0,0,0,0,0|2,0,1]=3 232 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,0,0,0,0,0|2,0,0]=2 233 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,0,0,0,0,0|2,0,0]=2 234 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,0,0,0,0,0|2,0,0]=2 235 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,0,0,0,0,0|2,0,0]=2 236 B11R0.4 CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210303 [0,0,0,0,0,0|4,0,0]=4 237 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,0,0,0,0,0|3,0,0]=3 238 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,0,0,0,0,0|3,0,0]=3 239 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,0,0,0,0,0|3,0,0]=3 240 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,0,0,0,0,0|3,0,0]=3 241 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,0,0,0,0,0|3,0,0]=3 242 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,0,0,0,0,0|3,0,0]=3 243 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,0,0,0,0,0|3,0,0]=3 244 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,0,0,0,0,0|3,0,0]=3 245 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,0,0,0,0,0|3,0,0]=3 246 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,0,0,0,0,0|3,0,0]=3 247 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,0,0,0,0,0|3,0,0]=3 248 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000687738_100000747444 [0,0,0,0,0,0|3,0,1]=4 249 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000747444_100000687738 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,0,0,0,0,0|3,0,1]=4 251 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,0,0,0,0,0|3,0,1]=4 252 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,0,0,0,0,0|3,0,0]=3 253 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,0,0,0,0,0|3,0,0]=3 254 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,0,0,0,0,0|3,0,0]=3 255 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,0,0,0,0,0|3,0,0]=3 256 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,0,0,0,0,0|3,0,0]=3 257 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,0,0,0,0,0|3,0,0]=3 258 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,0,0,0,0,0|3,0,0]=3 259 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,0,0,0,0,0|3,0,0]=3 260 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,0,0,0,0,0|3,0,0]=3 261 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,0,0,0,0,0|3,0,0]=3 262 B11R0.4 CCCC(=O)NCCCCC#N 11a_100000751965_100000211992 [0,0,0,0,0,0|3,0,1]=4 263 B11R0.4 CCCC(=O)NCCCCC#N 1626a_100000751965_100000211992 [0,0,0,0,0,0|3,0,1]=4 264 B11R0.4 CCCC(=O)NCCCCC#N 240690a_100000751965_100000211992 [0,0,0,0,0,0|3,0,1]=4 265 B11R0.4 CCCC(=O)NCCCCC#N 527a_100000751965_100000211992 [0,0,0,0,0,0|3,0,1]=4 266 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,0,0,0,0,0|3,0,0]=3 267 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,0,0,0,0,0|3,0,0]=3 268 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,0,0,0,0,0|3,0,0]=3 269 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,0,0,0,0,0|3,0,0]=3 270 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,0,0,0,0,0|3,0,0]=3 271 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,0,0,0,0,0|4,0,0]=4 272 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,0,0,0,0,0|4,0,0]=4 273 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,0,0,0,0,0|4,0,0]=4 274 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,0,0,0,0,0|4,0,0]=4 275 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,0,0,0,0,0|4,0,0]=4 276 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,0,0,0,0,0|4,0,0]=4 277 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,0,0,0,0,0|4,0,0]=4 278 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,0,0,0,0,0|4,0,0]=4 279 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,0,0,0,0,0|4,0,0]=4 280 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,0,0,0,0,0|4,0,0]=4 281 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,0,0,0,0,0|4,0,0]=4 282 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,0,0,0,0,0|4,0,0]=4 283 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,0,0,0,0,0|4,0,0]=4 284 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,0,0,0,0,0|4,0,0]=4 285 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,0,0,0,0,0|4,0,0]=4 286 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,0,0,0,0,0|4,0,0]=4 287 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,0,0,0,0,0|4,0,0]=4 288 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,0,0,0,0,0|4,0,0]=4 289 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,0,0,0,0,0|4,0,0]=4 290 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,0,0,0,0,0|4,0,0]=4 291 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,0,0,0,0,0|1,0,2]=3 292 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,0,0,0,0,0|2,0,2]=4 293 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,0,0,0,0,0|2,0,2]=4 294 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,0,0,0,0,0|1,0,2]=3 295 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,0,0,0,0,0|1,0,2]=3 296 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,0,0,0,0,0|1,0,2]=3 297 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,0,0,0,0,0|2,0,2]=4 298 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,0,0,0,0,0|3,0,1]=4 299 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,0,0,0,0,0|1,0,2]=3 300 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,0,0,0,0,0|2,0,2]=4 301 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,0,0,0,0,0|2,0,2]=4 302 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,0,0,0,0,0|1,0,2]=3 303 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,0,0,0,0,0|2,0,2]=4 304 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,0,0,0,0,0|1,0,2]=3 305 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,0,0,0,0,0|2,0,2]=4 306 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,0,0,0,0,0|2,0,2]=4 307 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,0,0,0,0,0|1,0,2]=3 308 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,0,0,0,0,0|1,0,2]=3 309 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,0,0,0,0,0|2,0,2]=4 310 B11R0.4 CCCCCCCC(=O)C=CBr 1458a_100016273825_100000210614 [0,0,0,0,0,0|2,0,1]=3 311 B11R0.4 CCCCCCCC(=O)C=CCl 1458a_200016279998_100000210614 [0,0,0,0,0,0|2,0,1]=3 312 B11R0.4 CCCCCCCC(=O)C=CI 1458a_100016256311_100000210614 [0,0,0,0,0,0|2,0,1]=3 313 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100000211969_100011214920 [0,0,0,0,0,0|2,0,1]=3 314 B11R0.4 CCCCCCCC(=O)CC#N 1458a_100051588842_100000210614 [0,0,0,0,0,0|2,0,1]=3 315 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,0,0,0,0,0|1,0,0]=1 316 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,0,0,0,0,0|1,0,0]=1 317 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,0,0,0,0,0|2,0,0]=2 318 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,0,0,0,0,0|2,0,0]=2 319 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,0,0,0,0,0|2,0,0]=2 320 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,0,0,0,0,0|2,0,0]=2 321 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,0,0,0,0,0|2,0,0]=2 322 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,0,0,0,0,0|1,0,0]=1 323 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,0,0,0,0,0|1,0,0]=1 324 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,0,0,0,0,0|1,0,0]=1 325 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,0,0,0,0,0|2,0,0]=2 326 B11R0.4 CCCCCCCC(C)NCC 2230a_100015525214_200011218727 [0,0,0,0,0,0|2,0,1]=3 327 B11R0.4 CCCCCCCC(C)NCC 270004a_100015525214_100000210596 [0,0,0,0,0,0|2,0,1]=3 328 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,0,0,0,0,0|1,0,1]=2 329 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,0,0,0,0,0|1,0,1]=2 330 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,0,0,0,0,0|1,0,1]=2 331 B11R0.4 CCCCCCCC(C)OCF 34a_200011215852_100015361967 [0,0,0,0,0,0|2,0,1]=3 332 B11R0.4 CCCCCCCC(C)OCF 7a_200011215852_100015361967 [0,0,0,0,0,0|2,0,1]=3 333 B11R0.4 CCCCCCCC(C)SCC 62a_100000210202_200011218727 [0,0,0,0,0,0|1,1,1]=3 334 B11R0.4 CCCCCCCC(C)SCC 62a_200011218727_100000210202 [0,0,0,0,0,0|1,1,1]=3 335 B11R0.4 CCCCCCCC(C)SCF 62a_100015361967_200011218727 [0,0,0,0,0,0|2,1,1]=4 336 B11R0.4 CCCCCCCC(C)SCF 62a_200011218727_100015361967 [0,0,0,0,0,0|2,1,1]=4 337 B11R0.4 CCCCCCCN(C)CCC 2230a_100000228206_100000210303 [0,0,0,0,0,0|3,0,0]=3 338 B11R0.4 CCCCCCCN(C)CCC 2230a_100000747261_100000210681 [0,0,0,0,0,0|3,0,0]=3 339 B11R0.4 CCCCCCCN(C)CCC 269982a_100000228206_100000210303 [0,0,0,0,0,0|3,0,0]=3 340 B11R0.4 CCCCCCCN(C)CCC 269982a_100000747261_100000210681 [0,0,0,0,0,0|3,0,0]=3 341 B11R0.4 CCCCCCCN(C)CCF 2230a_100000228206_100011217306 [0,0,0,0,0,0|4,0,0]=4 342 B11R0.4 CCCCCCCN(C)CCF 269982a_100000228206_100011217306 [0,0,0,0,0,0|4,0,0]=4 343 B11R0.4 CCCCCCCN(C)CCO 2230a_100000210263_100000210681 [0,0,0,0,0,0|4,0,0]=4 344 B11R0.4 CCCCCCCN(C)CCO 2230a_100000228206_100000211926 [0,0,0,0,0,0|4,0,0]=4 345 B11R0.4 CCCCCCCN(C)CCO 269982a_100000210263_100000210681 [0,0,0,0,0,0|4,0,0]=4 346 B11R0.4 CCCCCCCN(C)CCO 269982a_100000228206_100000211926 [0,0,0,0,0,0|4,0,0]=4 347 B11R0.4 CCCCCCCN(C)COC 2230a_100000228206_100000766300 [0,0,0,0,0,0|4,0,0]=4 348 B11R0.4 CCCCCCCN(C)COC 269982a_100000228206_100000766300 [0,0,0,0,0,0|4,0,0]=4 349 B11R0.4 CCCCCCCN(C)CSC 2230a_100000228206_100011218213 [0,0,0,0,0,0|4,0,0]=4 350 B11R0.4 CCCCCCCN(C)CSC 269982a_100000228206_100011218213 [0,0,0,0,0,0|4,0,0]=4 351 B11R0.4 CCCCCCNC(=O)C=CBr 1626a_100000210581_100016273825 [0,0,0,0,0,0|3,0,1]=4 352 B11R0.4 CCCCCCNC(=O)C=CBr 240690a_100000210581_100016273825 [0,0,0,0,0,0|3,0,1]=4 353 B11R0.4 CCCCCCNC(=O)C=CCl 11a_100000210581_200016279998 [0,0,0,0,0,0|3,0,1]=4 354 B11R0.4 CCCCCCNC(=O)C=CCl 1626a_100000210581_200016279998 [0,0,0,0,0,0|3,0,1]=4 355 B11R0.4 CCCCCCNC(=O)C=CCl 240690a_100000210581_200016279998 [0,0,0,0,0,0|3,0,1]=4 356 B11R0.4 CCCCCCNC(=O)C=CI 1626a_100000210581_100016256311 [0,0,0,0,0,0|3,0,1]=4 357 B11R0.4 CCCCCCNC(=O)CC#N 1626a_100000210581_100051588842 [0,0,0,0,0,0|3,0,1]=4 358 B11R0.4 CCCCCCNC(=O)CC#N 240690a_100000210581_100051588842 [0,0,0,0,0,0|3,0,1]=4 359 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,0,0,0,0,0|2,0,0]=2 360 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,0,0,0,0,0|2,0,0]=2 361 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,0,0,0,0,0|2,0,0]=2 362 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,0,0,0,0,0|2,0,0]=2 363 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,0,0,0,0,0|3,0,0]=3 364 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,0,0,0,0,0|3,0,0]=3 365 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,0,0,0,0,0|3,0,0]=3 366 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,0,0,0,0,0|3,0,0]=3 367 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,0,0,0,0,0|3,0,0]=3 368 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,0,0,0,0,0|3,0,0]=3 369 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,0,0,0,0,0|3,0,0]=3 370 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,0,0,0,0,0|3,0,0]=3 371 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,0,0,0,0,0|3,0,0]=3 372 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,0,0,0,0,0|3,0,0]=3 373 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,0,0,0,0,0|3,0,0]=3 374 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,0,0,0,0,0|3,0,0]=3 375 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,0,0,0,0,0|3,0,0]=3 376 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,0,0,0,0,0|3,0,0]=3 377 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,0,0,0,0,0|3,0,0]=3 378 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,0,0,0,0,0|2,0,0]=2 379 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,0,0,0,0,0|2,0,0]=2 380 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,0,0,0,0,0|2,0,0]=2 381 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,0,0,0,0,0|2,0,0]=2 382 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,0,0,0,0,0|2,0,0]=2 383 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,0,0,0,0,0|2,0,0]=2 384 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,0,0,0,0,0|3,0,0]=3 385 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,0,0,0,0,0|3,0,0]=3 386 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,0,0,0,0,0|3,0,0]=3 387 B11R0.4 CCCCCCNC(C)CCC 2230a_100000210581_100000766640 [0,0,0,0,0,0|3,0,1]=4 388 B11R0.4 CCCCCCNC(C)CCC 2230a_100000741246_100000210314 [0,0,0,0,0,0|3,0,1]=4 389 B11R0.4 CCCCCCNC(C)CCC 270004a_100000210581_100000211909 [0,0,0,0,0,0|3,0,1]=4 390 B11R0.4 CCCCCCOC(C)CCC 34a_100000210259_100000766640 [0,0,0,0,0,0|3,0,1]=4 391 B11R0.4 CCCCCCOC(C)CCC 34a_100000764384_100000210314 [0,0,0,0,0,0|3,0,1]=4 392 B11R0.4 CCCCCCOC(C)CCC 7a_100000210259_100000766640 [0,0,0,0,0,0|3,0,1]=4 393 B11R0.4 CCCCCCOC(C)CCC 7a_100000764384_100000210314 [0,0,0,0,0,0|3,0,1]=4 394 B11R0.4 CCCCCCSC(C)CCC 62a_100000210314_100000766640 [0,0,0,0,0,0|3,0,1]=4 395 B11R0.4 CCCCCCSC(C)CCC 62a_100000766640_100000210757 [0,0,0,0,0,0|3,0,1]=4 396 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,0,0,0,0,0|2,0,0]=2 397 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,0,0,0,0,0|2,0,0]=2 398 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,0,0,0,0,0|2,0,0]=2 399 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,0,0,0,0,0|3,0,0]=3 400 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,0,0,0,0,0|1,0,0]=1 401 B11R0.4 CCCCCNCC(C)CCC 2230a_100000209983_100011216630 [0,0,0,0,0,0|3,0,1]=4 402 B11R0.4 CCCCCNCC(C)CCC 270004a_100000209983_100000243154 [0,0,0,0,0,0|3,0,1]=4 403 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,0,0,0,0,0|4,0,0]=4 404 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,0,0,0,0,0|3,0,0]=3 405 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,0,0,0,0,0|4,0,0]=4 406 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,0,0,0,0,0|4,0,0]=4 407 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,0,0,0,0,0|4,0,0]=4 408 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,0,0,0,0,0|3,0,0]=3 409 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,0,0,0,0,0|3,0,0]=3 410 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,0,0,0,0,0|3,0,0]=3 411 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,0,0,0,0,0|4,0,0]=4 412 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,0,0,0,0,0|4,0,0]=4 413 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,0,0,0,0,0|2,0,0]=2 414 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,0,0,0,0,0|2,0,0]=2 415 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,0,0,0,0,0|2,0,0]=2 416 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,0,0,0,0,0|3,0,0]=3 417 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,0,0,0,0,0|3,0,0]=3 418 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,0,0,0,0,0|1,0,0]=1 419 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,0,0,0,0,0|1,0,0]=1 420 B11R0.4 CCCCCOCC(C)CCC 34a_100000210253_100011216630 [0,0,0,0,0,0|3,0,1]=4 421 B11R0.4 CCCCCOCC(C)CCC 34a_100000688023_100000718602 [0,0,0,0,0,0|3,0,1]=4 422 B11R0.4 CCCCCOCC(C)CCC 7a_100000210253_100011216630 [0,0,0,0,0,0|3,0,1]=4 423 B11R0.4 CCCCCOCC(C)CCC 7a_100000688023_100000210326 [0,0,0,0,0,0|3,0,1]=4 424 B11R0.4 CCCCCOC[C@@H](N)CCC 34a_100000732646_100000718602 [0,0,0,0,0,0|3,0,1]=4 425 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,0,0,0,0,0|2,0,0]=2 426 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,0,0,0,0,0|2,0,0]=2 427 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,0,0,0,0,0|2,0,0]=2 428 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,0,0,0,0,0|2,0,0]=2 429 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,0,0,0,0,0|3,0,0]=3 430 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,0,0,0,0,0|3,0,0]=3 431 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,0,0,0,0,0|1,0,0]=1 432 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,0,0,0,0,0|1,0,0]=1 433 B11R0.4 CCCCCSCC(C)CCC 62a_100000210326_100011216630 [0,0,0,0,0,0|3,0,1]=4 434 B11R0.4 CCCCCSCC(C)CCC 62a_100011216630_100000210326 [0,0,0,0,0,0|3,0,1]=4 435 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,0,0,0,0,0|2,0,0]=2 436 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,0,0,0,0,0|2,0,0]=2 437 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,0,0,0,0,0|2,0,0]=2 438 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,0,0,0,0,0|1,0,0]=1 439 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,0,0,0,0,0|1,0,0]=1 440 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,0,0,0,0,0|3,0,0]=3 441 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,0,0,0,0,0|2,0,1]=3 442 B11R0.4 CCCCOCCC(=O)C=CBr 1458a_100016273825_100000743108 [0,0,0,0,0,0|3,0,1]=4 443 B11R0.4 CCCCOCCC(=O)C=CCl 1458a_200016279998_100000743108 [0,0,0,0,0,0|3,0,1]=4 444 B11R0.4 CCCCOCCC(=O)C=CI 1458a_100016256311_100000743108 [0,0,0,0,0,0|3,0,1]=4 445 B11R0.4 CCCCOCCC(=O)CC#N 1458a_100051588842_100000743108 [0,0,0,0,0,0|3,0,1]=4 446 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,0,0,0,0,0|2,0,0]=2 447 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,0,0,0,0,0|3,0,0]=3 448 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,0,0,0,0,0|3,0,0]=3 449 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,0,0,0,0,0|3,0,0]=3 450 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,0,0,0,0,0|2,0,0]=2 451 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,0,0,0,0,0|1,0,0]=1 452 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,0,0,0,0,0|1,0,0]=1 453 B11R0.4 CCCCOCCC(C)CCC 34a_100011217855_100000210210 [0,0,0,0,0,0|3,0,1]=4 454 B11R0.4 CCCCOCCC(C)CCC 7a_100011217855_100000210211 [0,0,0,0,0,0|3,0,1]=4 455 B11R0.4 CCCCOCCN(C)CCC 2230a_100000747261_100000743108 [0,0,0,0,0,0|4,0,0]=4 456 B11R0.4 CCCCOCCN(C)CCC 269982a_100000747261_100000743108 [0,0,0,0,0,0|4,0,0]=4 457 B11R0.4 CCCCOCC[C@@H](N)CCC 34a_100015193777_100000210210 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,0,0,0,0,0|3,0,0]=3 459 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,0,0,0,0,0|2,0,0]=2 460 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,0,0,0,0,0|2,0,0]=2 461 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,0,0,0,0,0|1,0,0]=1 462 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,0,0,0,0,0|1,0,0]=1 463 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,0,0,0,0,0|3,0,0]=3 464 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,0,0,0,0,0|2,0,0]=2 465 B11R0.4 CCCN(C)CCCCCCF 2230a_100000747261_100015922095 [0,0,0,0,0,0|4,0,0]=4 466 B11R0.4 CCCN(C)CCCCCCF 269982a_100000747261_100015922095 [0,0,0,0,0,0|4,0,0]=4 467 B11R0.4 CCCN(C)CCCCCCO 2230a_100000747261_100000766143 [0,0,0,0,0,0|4,0,0]=4 468 B11R0.4 CCCN(C)CCCCCCO 269982a_100000747261_100000766143 [0,0,0,0,0,0|4,0,0]=4 469 B11R0.4 CCCNN=C[CH-]C(=O)OCC 4a_100000740057_100010622808 [0,0,0,0,0,0|2,0,2]=4 470 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,0,0,0,0,0|1,0,2]=3 471 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,0,0,0,0,0|1,0,0]=1 472 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,0,0,0,0,0|1,0,0]=1 473 B11R0.4 CCCOCCCC(C)CCC 34a_100011713154_100000210303 [0,0,0,0,0,0|3,0,1]=4 474 B11R0.4 CCCOCCCC(C)CCC 7a_100011713154_100000210303 [0,0,0,0,0,0|3,0,1]=4 475 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,0,0,0,0,0|3,0,0]=3 476 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,0,0,0,0,0|3,0,0]=3 477 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,0,0,0,0,0|3,0,0]=3 478 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,0,0,0,0,0|4,0,0]=4 479 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,0,0,0,0,0|4,0,0]=4 480 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,0,0,0,0,0|4,0,0]=4 481 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,0,0,0,0,0|4,0,0]=4 482 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,0,0,0,0,0|4,0,0]=4 483 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,0,0,0,0,0|4,0,0]=4 484 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,0,0,0,0,0|4,0,0]=4 485 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,0,0,0,0,0|3,0,0]=3 486 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,0,0,0,0,0|3,0,0]=3 487 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,0,0,0,0,0|3,0,0]=3 488 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,0,0,0,0,0|3,0,0]=3 489 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,0,0,0,0,0|3,0,0]=3 490 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,0,0,0,0,0|3,0,0]=3 491 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,0,0,0,0,0|4,0,0]=4 492 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,0,0,0,0,0|4,0,0]=4 493 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,0,0,0,0,0|4,0,0]=4 494 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,0,0,0,0,0|2,0,0]=2 495 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,0,0,0,0,0|1,0,2]=3 496 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,0,0,0,0,0|1,0,2]=3 497 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,0,0,0,0,0|1,0,0]=1 498 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,0,0,0,0,0|1,0,0]=1 499 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,0,0,0,0,0|3,0,0]=3 500 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,0,0,0,0,0|3,0,0]=3 501 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,0,0,0,0,0|3,0,0]=3 502 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,0,0,0,0,0|4,0,0]=4 503 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,0,0,0,0,0|4,0,0]=4 504 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,0,0,0,0,0|4,0,0]=4 505 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,0,0,0,0,0|4,0,0]=4 506 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,0,0,0,0,0|4,0,0]=4 507 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,0,0,0,0,0|4,0,0]=4 508 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,0,0,0,0,0|4,0,0]=4 509 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,0,0,0,0,0|3,0,0]=3 510 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,0,0,0,0,0|3,0,0]=3 511 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,0,0,0,0,0|3,0,0]=3 512 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,0,0,0,0,0|3,0,0]=3 513 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,0,0,0,0,0|3,0,0]=3 514 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,0,0,0,0,0|3,0,0]=3 515 B11R0.4 CCCSCCNC(=O)NNC 273464a_100020603323_100016993582 [0,0,0,0,0,0|4,0,0]=4 516 B11R0.4 CCCSCCNC(=O)NNC 512a_100016993582_100020603323 [0,0,0,0,0,0|4,0,0]=4 517 B11R0.4 CCCSCCNC(=O)NNC 512a_100020603323_100016993582 [0,0,0,0,0,0|4,0,0]=4 518 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,0,0,0,0,0|2,0,0]=2 519 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,0,0,0,0,0|2,0,0]=2 520 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,0,0,0,0,0|2,0,0]=2 521 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,0,0,0,0,0|2,0,0]=2 522 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,0,0,0,0,0|2,0,0]=2 523 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 11a_100015525214_100000070148 [0,0,0,0,0,0|4,0,0]=4 524 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 240690a_100015525214_100000070148 [0,0,0,0,0,0|4,0,0]=4 525 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 527a_100015525214_100000070148 [0,0,0,0,0,0|4,0,0]=4 526 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,0,0,0,0,0|3,0,0]=3 527 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,0,0,0,0,0|3,0,0]=3 528 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,0,0,0,0,0|3,0,0]=3 529 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,0,0,0,0,0|3,0,0]=3 530 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,0,0,0,0,0|3,0,0]=3 531 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [0,0,0,0,0,0|3,0,0]=3 532 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [0,0,0,0,0,0|3,0,0]=3 533 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,0,0,0,0,0|3,0,0]=3 534 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,0,0,0,0,0|3,0,0]=3 535 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,0,0,0,0,0|3,0,0]=3 536 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,0,0,0,0,0|3,0,0]=3 537 B11R0.4 CCNC(=O)CCSCCC#N 62a_100000737597_100011215226 [0,0,0,0,0,0|3,0,1]=4 538 B11R0.4 CCNC(=O)CCSCCC#N 62a_100011215226_100000737597 [0,0,0,0,0,0|3,0,1]=4 539 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,0,0,0,0,0|3,0,0]=3 540 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,0,0,0,0,0|3,0,0]=3 541 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,0,0,0,0,0|3,0,0]=3 542 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,0,0,0,0,0|3,0,0]=3 543 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,0,0,0,0,0|3,0,0]=3 544 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,0,0,0,0,0|3,0,0]=3 545 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [0,0,0,0,0,0|3,0,0]=3 546 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [0,0,0,0,0,0|3,0,0]=3 547 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [0,0,0,0,0,0|3,0,0]=3 548 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [0,0,0,0,0,0|3,0,0]=3 549 B11R0.4 CCNC(=O)CNCCCC#N 2230a_100016988866_100000687738 [0,0,0,0,0,0|3,0,1]=4 550 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,0,0,0,0,0|3,0,1]=4 551 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,0,0,0,0,0|3,0,0]=3 552 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,0,0,0,0,0|3,0,0]=3 553 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,0,0,0,0,0|3,0,0]=3 554 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,0,0,0,0,0|3,0,0]=3 555 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,0,0,0,0,0|3,0,0]=3 556 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,0,0,0,0,0|3,0,0]=3 557 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,0,0,0,0,0|3,0,0]=3 558 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,0,0,0,0,0|3,0,0]=3 559 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,0,0,0,0,0|3,0,0]=3 560 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,0,0,0,0,0|3,0,0]=3 561 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,0,0,0,0,0|3,0,0]=3 562 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,0,0,0,0,0|3,0,0]=3 563 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,0,0,0,0,0|3,0,0]=3 564 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,0,0,0,0,0|3,0,0]=3 565 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,0,0,0,0,0|3,0,0]=3 566 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,0,0,0,0,0|3,0,0]=3 567 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,0,0,0,0,0|3,0,0]=3 568 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,0,0,0,0,0|3,0,0]=3 569 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,0,0,0,0,0|3,0,0]=3 570 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,0,0,0,0,0|3,0,0]=3 571 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,0,0,0,0,0|3,0,0]=3 572 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,0,0,0,0,0|3,0,0]=3 573 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,0,0,0,0,0|3,0,0]=3 574 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,0,0,0,0,0|3,0,0]=3 575 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,0,0,0,0,0|3,0,0]=3 576 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,0,0,0,0,0|3,0,0]=3 577 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,0,0,0,0,0|3,0,0]=3 578 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000183381_100000687738 [0,0,0,0,0,0|3,0,1]=4 579 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000687738_100000183381 [0,0,0,0,0,0|3,0,1]=4 580 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,0,0,0,0,0|3,0,1]=4 581 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,0,0,0,0,0|3,0,0]=3 583 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,0,0,0,0,0|3,0,0]=3 584 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,0,0,0,0,0|3,0,0]=3 585 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,0,0,0,0,0|3,0,0]=3 586 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,0,0,0,0,0|3,0,0]=3 587 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,0,0,0,0,0|3,0,0]=3 588 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,0,0,0,0,0|3,0,0]=3 589 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,0,0,0,0,0|3,0,0]=3 590 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,0,0,0,0,0|3,0,0]=3 591 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,0,0,0,0,0|3,0,0]=3 592 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100000751965_100015525214 [0,0,0,0,0,0|3,0,1]=4 593 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100015525214_100000751965 [0,0,0,0,0,0|3,0,1]=4 594 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100000751965_100015525214 [0,0,0,0,0,0|3,0,1]=4 595 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100015525214_100000751965 [0,0,0,0,0,0|3,0,1]=4 596 B11R0.4 CCNC(=O)NCCCCC#N 512a_100000751965_100015525214 [0,0,0,0,0,0|3,0,1]=4 597 B11R0.4 CCNC(=O)NCCCCC#N 512a_100015525214_100000751965 [0,0,0,0,0,0|3,0,1]=4 598 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,0,0,0,0,0|3,0,0]=3 599 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,0,0,0,0,0|3,0,0]=3 600 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,0,0,0,0,0|3,0,0]=3 601 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,0,0,0,0,0|3,0,0]=3 602 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,0,0,0,0,0|3,0,0]=3 603 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,0,0,0,0,0|3,0,0]=3 604 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,0,0,0,0,0|3,0,0]=3 605 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,0,0,0,0,0|3,0,0]=3 606 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,0,0,0,0,0|3,0,0]=3 607 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,0,0,0,0,0|3,0,0]=3 608 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,0,0,0,0,0|3,0,0]=3 609 B11R0.4 CCNC(=O)NCCOCCO 2708a_100015525214_100000211614 [0,0,0,0,0,0|4,0,0]=4 610 B11R0.4 CCNC(=O)NCCOCCO 273464a_100000211614_100015525214 [0,0,0,0,0,0|4,0,0]=4 611 B11R0.4 CCNC(=O)NCCOCCO 273464a_100015525214_100000211614 [0,0,0,0,0,0|4,0,0]=4 612 B11R0.4 CCNC(=O)NCCOCCO 512a_100000211614_100015525214 [0,0,0,0,0,0|4,0,0]=4 613 B11R0.4 CCNC(=O)NCCSCCO 2708a_100015525214_100011219999 [0,0,0,0,0,0|4,0,0]=4 614 B11R0.4 CCNC(=O)NCCSCCO 273464a_100011219999_100015525214 [0,0,0,0,0,0|4,0,0]=4 615 B11R0.4 CCNC(=O)NCCSCCO 273464a_100015525214_100011219999 [0,0,0,0,0,0|4,0,0]=4 616 B11R0.4 CCNC(=O)NCCSCCO 512a_100011219999_100015525214 [0,0,0,0,0,0|4,0,0]=4 617 B11R0.4 CCNC(=O)NCCSCCO 512a_100015525214_100011219999 [0,0,0,0,0,0|4,0,0]=4 618 B11R0.4 CCNC(=O)NNCCCOC 273464a_100015525214_100025702787 [0,0,0,0,0,0|4,0,0]=4 619 B11R0.4 CCNC(=O)NNCCCOC 512a_100015525214_100025702787 [0,0,0,0,0,0|4,0,0]=4 620 B11R0.4 CCNC(=O)NNCCOCC 273464a_100015525214_100000732670 [0,0,0,0,0,0|4,0,0]=4 621 B11R0.4 CCNC(=O)NNCCOCC 512a_100000732670_100015525214 [0,0,0,0,0,0|4,0,0]=4 622 B11R0.4 CCNC(=O)NNCCOCC 512a_100015525214_100000732670 [0,0,0,0,0,0|4,0,0]=4 623 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,0,0,0,0,0|1,0,0]=1 624 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,0,0,0,0,0|2,0,0]=2 625 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [0,0,0,0,0,0|2,0,2]=4 626 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [0,0,0,0,0,0|2,0,2]=4 627 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [0,0,0,0,0,0|2,0,2]=4 628 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [0,0,0,0,0,0|2,0,2]=4 629 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [0,0,0,0,0,0|2,0,2]=4 630 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [0,0,0,0,0,0|2,0,2]=4 631 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [0,0,0,0,0,0|2,0,2]=4 632 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [0,0,0,0,0,0|2,0,2]=4 633 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [0,0,0,0,0,0|2,0,2]=4 634 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [0,0,0,0,0,0|2,0,2]=4 635 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [0,0,0,0,0,0|2,0,2]=4 636 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [0,0,0,0,0,0|2,0,2]=4 637 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [0,0,0,0,0,0|2,0,2]=4 638 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,0,0,0,0,0|1,0,0]=1 639 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,0,0,0,0,0|1,0,0]=1 640 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,0,0,0,0,0|1,0,0]=1 641 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,0,0,0,0,0|1,0,0]=1 642 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,0,0,0,0,0|1,0,0]=1 643 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,0,0,0,0,0|1,0,0]=1 644 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,0,0,0,0,0|1,0,0]=1 645 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,0,0,0,0,0|1,0,0]=1 646 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,0,0,0,0,0|1,0,0]=1 647 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,0,0,0,0,0|1,0,0]=1 648 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,0,0,0,0,0|1,0,0]=1 649 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,0,0,0,0,0|1,0,0]=1 650 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,0,0,0,0,0|2,0,0]=2 651 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,0,0,0,0,0|2,0,0]=2 652 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,0,0,0,0,0|2,0,0]=2 653 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,0,0,0,0,0|2,0,0]=2 654 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,0,0,0,0,0|2,0,0]=2 655 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [0,0,0,0,0,0|2,0,1]=3 656 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,0,0,0,0,0|2,0,1]=3 657 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,0,0,0,0,0|2,0,0]=2 658 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,0,0,0,0,0|2,0,0]=2 659 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,0,0,0,0,0|2,0,0]=2 660 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,0,0,0,0,0|2,0,0]=2 661 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [0,0,0,0,0,0|2,0,1]=3 662 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [0,0,0,0,0,0|2,0,1]=3 663 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,0,0,0,0,0|2,0,1]=3 664 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,0,0,0,0,0|2,0,1]=3 665 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,0,0,0,0,0|2,0,0]=2 666 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,0,0,0,0,0|2,0,0]=2 667 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,0,0,0,0,0|2,0,0]=2 668 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,0,0,0,0,0|2,0,0]=2 669 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,0,0,0,0,0|2,0,0]=2 670 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,0,0,0,0,0|2,0,0]=2 671 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,0,0,0,0,0|2,0,0]=2 672 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,0,0,0,0,0|2,0,0]=2 673 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,0,0,0,0,0|2,0,0]=2 674 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,0,0,0,0,0|2,0,0]=2 675 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,0,0,0,0,0|2,0,0]=2 676 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,0,0,0,0,0|2,0,0]=2 677 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,0,0,0,0,0|2,0,0]=2 678 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,0,0,0,0,0|2,0,0]=2 679 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,0,0,0,0,0|2,0,0]=2 680 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,0,0,0,0,0|2,0,0]=2 681 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,0,0,0,0,0|2,0,0]=2 682 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,0,0,0,0,0|3,0,0]=3 683 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,0,0,0,0,0|2,0,0]=2 684 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,0,0,0,0,0|2,0,0]=2 685 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [0,0,0,0,0,0|2,0,1]=3 686 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [0,0,0,0,0,0|2,0,1]=3 687 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,0,0,0,0,0|2,0,0]=2 688 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,0,0,0,0,0|2,0,0]=2 689 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,0,0,0,0,0|2,0,0]=2 690 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,0,0,0,0,0|2,0,0]=2 691 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,0,0,0,0,0|2,0,0]=2 692 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,0,0,0,0,0|2,0,0]=2 693 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,0,0,0,0,0|2,0,0]=2 694 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,0,0,0,0,0|2,0,0]=2 695 B11R0.4 CCOC(=O)CCSCSC#N 62a_100000211825_100000765890 [0,0,0,0,0,0|3,0,1]=4 696 B11R0.4 CCOC(=O)CCSCSC#N 62a_100000765890_100000211825 [0,0,0,0,0,0|3,0,1]=4 697 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,0,0,0,0,0|2,0,0]=2 698 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,0,0,0,0,0|2,0,0]=2 699 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,0,0,0,0,0|2,0,0]=2 700 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,0,0,0,0,0|2,0,0]=2 701 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,0,0,0,0,0|2,0,0]=2 702 B11R0.4 CCOC(=O)COCC#CCCl 34a_200000047223_100000188475 [0,0,0,0,0,0|2,0,2]=4 703 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,0,0,0,0,0|2,0,0]=2 704 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,0,0,0,0,0|2,0,0]=2 705 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,0,0,0,0,0|2,0,0]=2 706 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,0,0,0,0,0|2,0,0]=2 707 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,0,0,0,0,0|2,0,0]=2 708 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,0,0,0,0,0|2,0,0]=2 709 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,0,0,0,0,0|2,0,0]=2 710 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,0,0,0,0,0|2,0,0]=2 711 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,0,0,0,0,0|2,0,0]=2 712 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,0,0,0,0,0|2,0,0]=2 713 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,0,0,0,0,0|2,0,0]=2 714 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,0,0,0,0,0|2,0,0]=2 715 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,0,0,0,0,0|2,0,0]=2 716 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,0,0,0,0,0|2,0,0]=2 717 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,0,0,0,0,0|2,0,0]=2 718 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,0,0,0,0,0|2,0,0]=2 719 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,0,0,0,0,0|2,0,0]=2 720 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,0,0,0,0,0|2,0,0]=2 721 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,0,0,0,0,0|2,0,0]=2 722 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,0,0,0,0,0|2,0,0]=2 723 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,0,0,0,0,0|2,0,0]=2 724 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,0,0,0,0,0|2,0,0]=2 725 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,0,0,0,0,0|2,0,0]=2 726 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,0,0,0,0,0|3,0,0]=3 727 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,0,0,0,0,0|3,0,0]=3 728 B11R0.4 CCOC(=O)CSCC#CCO 62a_100000188475_200000047223 [0,0,0,0,0,0|2,0,2]=4 729 B11R0.4 CCOC(=O)CSCC#CCO 62a_200000047223_100000188475 [0,0,0,0,0,0|2,0,2]=4 730 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,0,0,0,0,0|2,0,1]=3 731 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,0,0,0,0,0|2,0,1]=3 732 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,0,0,0,0,0|2,0,1]=3 733 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,0,0,0,0,0|2,0,1]=3 734 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,0,0,0,0,0|2,0,0]=2 735 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,0,0,0,0,0|2,0,0]=2 736 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,0,0,0,0,0|2,0,0]=2 737 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,0,0,0,0,0|2,0,0]=2 738 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,0,0,0,0,0|2,0,0]=2 739 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,0,0,0,0,0|2,0,0]=2 740 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,0,0,0,0,0|3,0,0]=3 741 B11R0.4 CCOC(=O)CSCCSC#N 62a_100000034367_100000188475 [0,0,0,0,0,0|3,0,1]=4 742 B11R0.4 CCOC(=O)CSCCSC#N 62a_100000188475_100000034367 [0,0,0,0,0,0|3,0,1]=4 743 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,0,0,0,0,0|2,0,0]=2 744 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,0,0,0,0,0|2,0,0]=2 745 B11R0.4 CCOC(=O)NCCOCC=O 34a_100000158857_200009817547 [0,0,0,0,0,0|3,0,1]=4 746 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,0,0,0,0,0|3,0,0]=3 747 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,0,0,0,0,0|3,0,0]=3 748 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,0,0,0,0,0|3,0,0]=3 749 B11R0.4 CCOC(=O)NCCSCC#N 62a_100011215382_200011445536 [0,0,0,0,0,0|3,0,1]=4 750 B11R0.4 CCOC(=O)NCCSCC=O 62a_200015260668_200011445536 [0,0,0,0,0,0|3,0,1]=4 751 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,0,0,0,0,0|3,0,0]=3 752 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,0,0,0,0,0|3,0,0]=3 753 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,0,0,0,0,0|3,0,0]=3 754 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,0,0,0,0,0|3,0,0]=3 755 B11R0.4 CCOC(=O)NN=CCSCC 62a_100000210202_100015372823 [0,0,0,0,0,0|3,0,1]=4 756 B11R0.4 CCOC(=O)OCSCCC#N 62a_100011215226_100000075025 [0,0,0,0,0,0|3,0,1]=4 757 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,0,0,0,0,0|3,0,0]=3 758 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,0,0,0,0,0|3,0,0]=3 759 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,0,0,0,0,0|3,0,0]=3 760 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,0,0,0,0,0|3,0,0]=3 761 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,0,0,0,0,0|1,0,0]=1 762 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,0,0,0,0,0|4,0,0]=4 763 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,0,0,0,0,0|4,0,0]=4 764 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,0,0,0,0,0|4,0,0]=4 765 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,0,0,0,0,0|4,0,0]=4 766 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,0,0,0,0,0|4,0,0]=4 767 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,0,0,0,0,0|4,0,0]=4 768 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,0,0,0,0,0|4,0,0]=4 769 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,0,0,0,0,0|4,0,0]=4 770 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,0,0,0,0,0|4,0,0]=4 771 B11R0.4 CCOCCCNC(=O)NNC 273464a_100000210961_100016993582 [0,0,0,0,0,0|4,0,0]=4 772 B11R0.4 CCOCCCNC(=O)NNC 512a_100000210961_100016993582 [0,0,0,0,0,0|4,0,0]=4 773 B11R0.4 CCOCCCNC(=O)NNC 512a_100016993582_100000210961 [0,0,0,0,0,0|4,0,0]=4 774 B11R0.4 CCOCCNCC(=O)NCO 2230a_102516460346_100000185155 [0,0,0,0,0,0|4,0,0]=4 775 B11R0.4 CCOCCNCC(=O)NCO 34a_102516460346_100000185155 [0,0,0,0,0,0|4,0,0]=4 776 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,0,0,0,0,0|2,0,0]=2 777 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,0,0,0,0,0|2,0,0]=2 778 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,0,0,0,0,0|4,0,0]=4 779 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,0,0,0,0,0|4,0,0]=4 780 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,0,0,0,0,0|2,0,0]=2 781 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,0,0,0,0,0|2,0,0]=2 782 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,0,0,0,0,0|2,0,0]=2 783 B11R0.4 CCOCCSCC(=O)NCO 62a_100000185155_100011215890 [0,0,0,0,0,0|4,0,0]=4 784 B11R0.4 CCOCCSCC(=O)NCO 62a_100000210147_100000185155 [0,0,0,0,0,0|4,0,0]=4 785 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,0,0,0,0,0|2,0,0]=2 786 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,0,0,0,0,0|2,0,0]=2 787 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,0,0,0,0,0|2,0,0]=2 788 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,0,0,0,0,0|2,0,0]=2 789 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,0,0,0,0,0|2,0,0]=2 790 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,0,0,0,0,0|3,0,0]=3 791 B11R0.4 CCSCCNCC(=O)NCO 2230a_100000106463_100000185155 [0,0,0,0,0,0|4,0,0]=4 792 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,0,0,0,0,0|4,0,0]=4 793 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,0,0,0,0,0|4,0,0]=4 794 B11R0.4 CCSCCSCC(=O)NCO 62a_100000185155_100000757381 [0,0,0,0,0,0|4,0,0]=4 795 B11R0.4 CCSCCSCC(=O)NCO 62a_100000757381_100000185155 [0,0,0,0,0,0|4,0,0]=4 796 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,0,0,0,0,0|4,0,0]=4 797 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,0,0,0,0,0|3,0,0]=3 798 B11R0.4 CNNC(=O)CCOCCOC 22a_100016993582_100000745395 [0,0,0,0,0,0|4,0,0]=4 799 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,0,0,0,0,0|4,0,0]=4 800 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,0,0,0,0,0|4,0,0]=4 801 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,0,0,0,0,0|4,0,0]=4 802 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,0,0,0,0,0|3,0,1]=4 803 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,0,0,0,0,0|3,0,0]=3 804 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,0,0,0,0,0|3,0,0]=3 805 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,0,0,0,0,0|4,0,0]=4 806 B11R0.4 COCCCCCC(=O)CC#N 1458a_100011935119_100011214920 [0,0,0,0,0,0|3,0,1]=4 807 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,0,0,0,0,0|3,0,0]=3 808 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,0,0,0,0,0|3,0,0]=3 809 B11R0.4 COCCCNCC(=O)NCO 34a_100150723488_100000185155 [0,0,0,0,0,0|4,0,0]=4 810 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,0,0,0,0,0|4,0,0]=4 811 B11R0.4 COCCCSCC(=O)NCO 62a_100000185155_100000709357 [0,0,0,0,0,0|4,0,0]=4 812 B11R0.4 COCCCSCC(=O)NCO 62a_100000709357_100000185155 [0,0,0,0,0,0|4,0,0]=4 813 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,0,0,0,0,0|4,0,0]=4 814 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,0,0,0,0,0|4,0,0]=4 815 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,0,0,0,0,0|4,0,0]=4 816 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,0,0,0,0,0|4,0,0]=4 817 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [0,0,0,0,0,0|4,0,0]=4 818 B11R0.4 CSCC(=O)CCCCCC#N 1458a_100000184570_100009813376 [0,0,0,0,0,0|3,0,1]=4 819 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,0,0,0,0,0|3,0,0]=3 820 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,0,0,0,0,0|3,0,0]=3 821 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,0,0,0,0,0|4,0,0]=4 822 B11R0.4 CSCCCNCC(=O)NCO 2230a_100000749238_100000185155 [0,0,0,0,0,0|4,0,0]=4 823 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,0,0,0,0,0|4,0,0]=4 824 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,0,0,0,0,0|4,0,0]=4 825 B11R0.4 N#CCC(=O)CCCCCCF 1458a_100051588842_100015922095 [0,0,0,0,0,0|3,0,1]=4 826 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100011996774_100011214920 [0,0,0,0,0,0|3,0,1]=4 827 B11R0.4 N#CCC(=O)CCCCCCO 1458a_100051588842_100000766143 [0,0,0,0,0,0|3,0,1]=4 828 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,0,0,0,0,0|3,0,1]=4 829 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,0,0,0,0,0|4,0,0]=4 830 B11R0.4 O=C(C=CBr)CCCCCCF 1458a_100016273825_100015922095 [0,0,0,0,0,0|3,0,1]=4 831 B11R0.4 O=C(C=CBr)CCCCCCO 1458a_100016273825_100000766143 [0,0,0,0,0,0|3,0,1]=4 832 B11R0.4 O=C(C=CCl)CCCCCCF 1458a_200016279998_100015922095 [0,0,0,0,0,0|3,0,1]=4 833 B11R0.4 O=C(C=CCl)CCCCCCO 1458a_200016279998_100000766143 [0,0,0,0,0,0|3,0,1]=4 834 B11R0.4 O=C(C=CI)CCCCCCF 1458a_100016256311_100015922095 [0,0,0,0,0,0|3,0,1]=4 835 B11R0.4 O=C(C=CI)CCCCCCO 1458a_100016256311_100000766143 [0,0,0,0,0,0|3,0,1]=4 836 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,0,0,0,0,0|3,0,0]=3 837 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,0,0,0,0,0|3,0,0]=3 838 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,0,0,0,0,0|3,0,0]=3 839 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,0,0,0,0,0|3,0,0]=3 840 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,0,0,0,0,0|4,0,0]=4 841 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,0,0,0,0,0|4,0,0]=4 842 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,0,0,0,0,0|4,0,0]=4 843 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,0,0,0,0,0|4,0,0]=4 844 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,0,0,0,0,0|4,0,0]=4 845 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,0,0,0,0,0|4,0,0]=4 846 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,0,0,0,0,0|4,0,0]=4 847 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,0,0,0,0,0|4,0,0]=4 848 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,0,0,0,0,0|4,0,0]=4 849 B11R0.4 O=C(CSCCCCF)NCO 62a_100000185155_100000729493 [0,0,0,0,0,0|4,0,0]=4 850 B11R0.4 O=C(CSCCCCF)NCO 62a_100000729493_100000185155 [0,0,0,0,0,0|4,0,0]=4 851 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,0,0,0,0,0|4,0,0]=4 852 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,0,0,0,0,0|4,0,0]=4 853 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [1,0,0,0,0,0|1,0,2]=4 854 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [1,0,0,0,0,0|1,0,2]=4 855 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [1,0,0,0,0,0|1,0,2]=4 856 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [1,0,0,0,0,0|1,0,2]=4 857 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [1,0,0,0,0,0|1,0,2]=4 858 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [1,0,0,0,0,0|1,0,2]=4 859 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [1,0,0,0,0,0|1,0,2]=4 860 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [1,0,0,0,0,0|1,0,2]=4 861 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [1,0,0,0,0,0|1,0,2]=4 862 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [1,0,0,0,0,0|1,0,2]=4 863 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [1,0,0,0,0,0|1,0,2]=4 864 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [1,0,0,0,0,0|1,0,2]=4 865 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [1,0,0,0,0,0|1,0,2]=4 866 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [1,0,0,0,0,0|1,0,2]=4 867 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [1,0,0,0,0,0|1,0,2]=4 868 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [1,0,0,0,0,0|1,0,2]=4 869 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [1,0,0,0,0,0|1,0,2]=4 870 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,0,0,0,0,0|1,0,2]=4 871 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,0,0,0,0,0|1,0,2]=4 872 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,0,0,0,0,0|1,0,2]=4 873 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,0,0,0,0,0|1,0,2]=4 874 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [1,0,0,0,0,0|1,0,2]=4 875 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [1,0,0,0,0,0|1,0,2]=4 876 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [1,0,0,0,0,0|1,0,2]=4 877 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [1,0,0,0,0,0|1,0,2]=4 878 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [1,0,0,0,0,0|1,0,2]=4 879 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [1,0,0,0,0,0|1,0,2]=4 880 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [1,0,0,0,0,0|1,0,2]=4 881 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [1,0,0,0,0,0|1,0,2]=4 882 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [1,0,0,0,0,0|1,0,2]=4 883 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [1,0,0,0,0,0|1,0,2]=4 884 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [1,0,0,0,0,0|1,0,2]=4 885 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [1,0,0,0,0,0|1,0,2]=4 886 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [1,0,0,0,0,0|1,0,2]=4 887 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [1,0,0,0,0,0|1,0,2]=4 888 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [1,0,0,0,0,0|1,0,2]=4 889 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [1,0,0,0,0,0|1,0,1]=3 890 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [1,0,0,0,0,0|2,0,1]=4 891 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [1,0,0,0,0,0|2,0,1]=4 892 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [1,0,0,0,0,0|2,0,1]=4 893 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [1,0,0,0,0,0|2,0,1]=4 894 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [1,0,0,0,0,0|2,0,1]=4 895 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [1,0,0,0,0,0|2,0,1]=4 896 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [1,0,0,0,0,0|1,0,2]=4 897 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [1,0,0,0,0,0|1,0,2]=4 898 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [1,0,0,0,0,0|1,0,2]=4 899 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [1,0,0,0,0,0|1,0,2]=4 900 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [1,0,0,0,0,0|1,0,2]=4 901 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,0,0,0,0,0|1,0,2]=4 902 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,0,0,0,0,0|1,0,1]=3 903 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [1,0,0,0,0,0|2,0,1]=4 904 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [1,0,0,0,0,0|2,0,1]=4 905 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [1,0,0,0,0,0|2,0,1]=4 906 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [1,0,0,0,0,0|2,0,1]=4 907 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [1,0,0,0,0,0|2,0,1]=4 908 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,0,0,0,0,0|2,0,1]=4 909 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,0,0,0,0,0|2,0,1]=4 910 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,0,0,0,0,0|2,0,1]=4 911 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,0,0,0,0,0|2,0,1]=4 912 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [1,0,0,0,0,0|1,0,2]=4 913 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [1,0,0,0,0,0|1,0,2]=4 914 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,0,0,0,0,0|1,0,2]=4 915 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 916 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 917 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [1,0,0,0,0,0|1,0,2]=4 918 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [1,0,0,0,0,0|2,0,1]=4 919 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,0,0,0,0,0|2,0,0]=3 920 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,0,0,0,0,0|2,0,0]=3 921 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,0,0,0,0,0|2,0,0]=3 922 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,0,0,0,0,0|2,0,0]=3 923 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,0,0,0,0,0|2,0,0]=3 924 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,0,0,0,0,0|3,0,0]=4 925 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,0,0,0,0,0|3,0,0]=4 926 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [1,0,0,0,0,0|3,0,0]=4 927 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [1,0,0,0,0,0|3,0,0]=4 928 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [1,0,0,0,0,0|3,0,0]=4 929 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [1,0,0,0,0,0|3,0,0]=4 930 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [1,0,0,0,0,0|3,0,0]=4 931 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [1,0,0,0,0,0|3,0,0]=4 932 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [1,0,0,0,0,0|3,0,0]=4 933 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,0,0,0,0,0|3,0,0]=4 934 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,0,0,0,0,0|3,0,0]=4 935 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [1,0,0,0,0,0|3,0,0]=4 936 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [1,0,0,0,0,0|3,0,0]=4 937 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [1,0,0,0,0,0|3,0,0]=4 938 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [1,0,0,0,0,0|3,0,0]=4 939 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,0,0,0,0,0|3,0,0]=4 940 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,0,0,0,0,0|3,0,0]=4 941 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,0,0,0,0,0|3,0,0]=4 942 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,0,0,0,0,0|3,0,0]=4 943 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,0,0,0,0,0|3,0,0]=4 944 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,0,0,0,0,0|3,0,0]=4 945 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,0,0,0,0,0|3,0,0]=4 946 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,0,0,0,0,0|3,0,0]=4 947 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,0,0,0,0,0|3,0,0]=4 948 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,0,0,0,0,0|3,0,0]=4 949 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,0,0,0,0,0|3,0,0]=4 950 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,0,0,0,0,0|3,0,0]=4 951 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,0,0,0,0,0|3,0,0]=4 952 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,0,0,0,0,0|3,0,0]=4 953 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,0,0,0,0,0|3,0,0]=4 954 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,0,0,0,0,0|3,0,0]=4 955 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,0,0,0,0,0|3,0,0]=4 956 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,0,0,0,0,0|3,0,0]=4 957 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,0,0,0,0,0|3,0,0]=4 958 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,0,0,0,0,0|1,0,2]=4 959 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,0,0,0,0,0|1,0,2]=4 960 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,0,0,0,0,0|1,0,2]=4 961 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [1,0,0,0,0,0|2,0,1]=4 962 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [1,0,0,0,0,0|2,0,1]=4 963 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [1,0,0,0,0,0|2,0,1]=4 964 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [1,0,0,0,0,0|2,0,1]=4 965 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [1,0,0,0,0,0|2,0,1]=4 966 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,0,0,0,0,0|1,0,0]=2 967 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,0,0,0,0,0|1,0,0]=2 968 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,0,0,0,0,0|2,0,0]=3 969 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,0,0,0,0,0|2,0,0]=3 970 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,0,0,0,0,0|2,0,0]=3 971 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,0,0,0,0,0|2,0,0]=3 972 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,0,0,0,0,0|2,0,0]=3 973 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,0,0,0,0,0|1,0,0]=2 974 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,0,0,0,0,0|1,0,0]=2 975 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,0,0,0,0,0|1,0,0]=2 976 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [1,0,0,0,0,0|2,0,0]=3 977 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [1,0,0,0,0,0|2,0,1]=4 978 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [1,0,0,0,0,0|2,0,1]=4 979 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [1,0,0,0,0,0|2,0,1]=4 980 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [1,0,0,0,0,0|2,0,1]=4 981 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,0,0,0,0,0|1,0,1]=3 982 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,0,0,0,0,0|1,0,1]=3 983 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,0,0,0,0,0|1,0,1]=3 984 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [1,0,0,0,0,0|2,0,1]=4 985 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [1,0,0,0,0,0|2,0,1]=4 986 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [1,0,0,0,0,0|1,1,1]=4 987 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [1,0,0,0,0,0|1,1,1]=4 988 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [1,0,0,0,0,0|3,0,0]=4 989 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [1,0,0,0,0,0|3,0,0]=4 990 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [1,0,0,0,0,0|3,0,0]=4 991 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [1,0,0,0,0,0|3,0,0]=4 992 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,0,0,0,0,0|2,0,0]=3 993 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,0,0,0,0,0|2,0,0]=3 994 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,0,0,0,0,0|2,0,0]=3 995 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,0,0,0,0,0|2,0,0]=3 996 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,0,0,0,0,0|3,0,0]=4 997 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,0,0,0,0,0|3,0,0]=4 998 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,0,0,0,0,0|3,0,0]=4 999 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,0,0,0,0,0|3,0,0]=4 1000 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,0,0,0,0,0|3,0,0]=4 1001 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,0,0,0,0,0|3,0,0]=4 1002 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,0,0,0,0,0|3,0,0]=4 1003 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,0,0,0,0,0|3,0,0]=4 1004 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,0,0,0,0,0|3,0,0]=4 1005 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,0,0,0,0,0|3,0,0]=4 1006 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,0,0,0,0,0|3,0,0]=4 1007 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,0,0,0,0,0|3,0,0]=4 1008 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,0,0,0,0,0|3,0,0]=4 1009 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,0,0,0,0,0|3,0,0]=4 1010 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,0,0,0,0,0|3,0,0]=4 1011 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,0,0,0,0,0|3,0,0]=4 1012 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,0,0,0,0,0|3,0,0]=4 1013 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,0,0,0,0,0|2,0,0]=3 1014 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,0,0,0,0,0|2,0,0]=3 1015 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,0,0,0,0,0|2,0,0]=3 1016 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,0,0,0,0,0|2,0,0]=3 1017 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,0,0,0,0,0|2,0,0]=3 1018 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,0,0,0,0,0|2,0,0]=3 1019 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [1,0,0,0,0,0|3,0,0]=4 1020 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [1,0,0,0,0,0|3,0,0]=4 1021 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [1,0,0,0,0,0|3,0,0]=4 1022 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,0,0,0,0,0|2,0,0]=3 1023 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,0,0,0,0,0|2,0,0]=3 1024 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,0,0,0,0,0|2,0,0]=3 1025 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,0,0,0,0,0|2,0,0]=3 1026 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,0,0,0,0,0|2,0,0]=3 1027 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [1,0,0,0,0,0|3,0,0]=4 1028 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [1,0,0,0,0,0|3,0,0]=4 1029 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,0,0,0,0,0|1,0,0]=2 1030 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,0,0,0,0,0|1,0,0]=2 1031 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,0,0,0,0,0|3,0,0]=4 1032 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [1,0,0,0,0,0|3,0,0]=4 1033 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [1,0,0,0,0,0|3,0,0]=4 1034 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [1,0,0,0,0,0|3,0,0]=4 1035 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,0,0,0,0,0|2,0,0]=3 1036 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,0,0,0,0,0|2,0,0]=3 1037 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,0,0,0,0,0|2,0,0]=3 1038 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [1,0,0,0,0,0|3,0,0]=4 1039 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,0,0,0,0,0|3,0,0]=4 1040 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,0,0,0,0,0|3,0,0]=4 1041 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [1,0,0,0,0,0|3,0,0]=4 1042 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [1,0,0,0,0,0|3,0,0]=4 1043 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,0,0,0,0,0|2,0,0]=3 1044 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,0,0,0,0,0|2,0,0]=3 1045 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,0,0,0,0,0|2,0,0]=3 1046 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,0,0,0,0,0|2,0,0]=3 1047 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,0,0,0,0,0|2,0,0]=3 1048 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [1,0,0,0,0,0|3,0,0]=4 1049 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [1,0,0,0,0,0|3,0,0]=4 1050 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [1,0,0,0,0,0|3,0,0]=4 1051 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,0,0,0,0,0|1,0,0]=2 1052 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,0,0,0,0,0|1,0,0]=2 1053 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [1,0,0,0,0,0|2,0,1]=4 1054 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [1,0,0,0,0,0|2,0,1]=4 1055 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,0,0,0,0,0|2,0,0]=3 1056 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,0,0,0,0,0|2,0,0]=3 1057 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,0,0,0,0,0|2,0,0]=3 1058 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [1,0,0,0,0,0|3,0,0]=4 1059 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,0,0,0,0,0|3,0,0]=4 1060 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,0,0,0,0,0|2,0,0]=3 1061 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,0,0,0,0,0|2,0,0]=3 1062 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,0,0,0,0,0|2,0,0]=3 1063 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,0,0,0,0,0|2,0,0]=3 1064 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,0,0,0,0,0|2,0,0]=3 1065 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [1,0,0,0,0,0|3,0,0]=4 1066 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [1,0,0,0,0,0|3,0,0]=4 1067 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [1,0,0,0,0,0|3,0,0]=4 1068 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,0,0,0,0,0|1,0,0]=2 1069 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,0,0,0,0,0|1,0,0]=2 1070 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,0,0,0,0,0|2,0,0]=3 1071 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [1,0,0,0,0,0|2,0,1]=4 1072 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,0,0,0,0,0|2,0,0]=3 1073 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,0,0,0,0,0|3,0,0]=4 1074 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,0,0,0,0,0|3,0,0]=4 1075 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,0,0,0,0,0|3,0,0]=4 1076 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,0,0,0,0,0|1,0,0]=2 1077 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,0,0,0,0,0|3,0,0]=4 1078 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,0,0,0,0,0|2,0,0]=3 1079 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,0,0,0,0,0|2,0,0]=3 1080 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,0,0,0,0,0|1,0,0]=2 1081 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,0,0,0,0,0|1,0,0]=2 1082 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,0,0,0,0,0|3,0,0]=4 1083 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,0,0,0,0,0|2,0,0]=3 1084 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,0,0,0,0,0|2,0,0]=3 1085 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [1,0,0,0,0,0|3,0,0]=4 1086 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [1,0,0,0,0,0|3,0,0]=4 1087 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [1,0,0,0,0,0|3,0,0]=4 1088 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [1,0,0,0,0,0|3,0,0]=4 1089 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [1,0,0,0,0,0|3,0,0]=4 1090 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [1,0,0,0,0,0|3,0,0]=4 1091 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [1,0,0,0,0,0|3,0,0]=4 1092 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [1,0,0,0,0,0|3,0,0]=4 1093 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [1,0,0,0,0,0|3,0,0]=4 1094 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [1,0,0,0,0,0|3,0,0]=4 1095 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [1,0,0,0,0,0|3,0,0]=4 1096 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [1,0,0,0,0,0|3,0,0]=4 1097 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [1,0,0,0,0,0|3,0,0]=4 1098 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [1,0,0,0,0,0|3,0,0]=4 1099 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [1,0,0,0,0,0|3,0,0]=4 1100 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [1,0,0,0,0,0|3,0,0]=4 1101 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [1,0,0,0,0,0|3,0,0]=4 1102 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [1,0,0,0,0,0|3,0,0]=4 1103 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [1,0,0,0,0,0|3,0,0]=4 1104 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [1,0,0,0,0,0|3,0,0]=4 1105 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [1,0,0,0,0,0|3,0,0]=4 1106 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [1,0,0,0,0,0|3,0,0]=4 1107 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [1,0,0,0,0,0|3,0,0]=4 1108 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [1,0,0,0,0,0|3,0,0]=4 1109 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [1,0,0,0,0,0|3,0,0]=4 1110 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [1,0,0,0,0,0|3,0,0]=4 1111 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [1,0,0,0,0,0|3,0,0]=4 1112 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [1,0,0,0,0,0|3,0,0]=4 1113 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [1,0,0,0,0,0|3,0,0]=4 1114 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [1,0,0,0,0,0|3,0,0]=4 1115 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [1,0,0,0,0,0|3,0,0]=4 1116 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [1,0,0,0,0,0|3,0,0]=4 1117 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [1,0,0,0,0,0|3,0,0]=4 1118 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [1,0,0,0,0,0|3,0,0]=4 1119 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [1,0,0,0,0,0|3,0,0]=4 1120 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [1,0,0,0,0,0|3,0,0]=4 1121 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [1,0,0,0,0,0|3,0,0]=4 1122 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [1,0,0,0,0,0|3,0,0]=4 1123 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [1,0,0,0,0,0|3,0,0]=4 1124 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [1,0,0,0,0,0|3,0,0]=4 1125 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [1,0,0,0,0,0|3,0,0]=4 1126 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [1,0,0,0,0,0|3,0,0]=4 1127 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [1,0,0,0,0,0|3,0,0]=4 1128 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [1,0,0,0,0,0|3,0,0]=4 1129 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [1,0,0,0,0,0|3,0,0]=4 1130 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [1,0,0,0,0,0|3,0,0]=4 1131 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [1,0,0,0,0,0|3,0,0]=4 1132 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [1,0,0,0,0,0|3,0,0]=4 1133 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [1,0,0,0,0,0|3,0,0]=4 1134 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [1,0,0,0,0,0|3,0,0]=4 1135 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [1,0,0,0,0,0|3,0,0]=4 1136 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [1,0,0,0,0,0|3,0,0]=4 1137 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [1,0,0,0,0,0|3,0,0]=4 1138 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [1,0,0,0,0,0|3,0,0]=4 1139 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [1,0,0,0,0,0|3,0,0]=4 1140 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [1,0,0,0,0,0|3,0,0]=4 1141 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [1,0,0,0,0,0|3,0,0]=4 1142 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [1,0,0,0,0,0|3,0,0]=4 1143 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,0,0,0,0,0|3,0,0]=4 1144 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,0,0,0,0,0|3,0,0]=4 1145 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,0,0,0,0,0|3,0,0]=4 1146 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,0,0,0,0,0|3,0,0]=4 1147 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,0,0,0,0,0|3,0,0]=4 1148 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,0,0,0,0,0|3,0,0]=4 1149 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 1150 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 1151 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 1152 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 1153 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [1,0,0,0,0,0|3,0,0]=4 1154 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [1,0,0,0,0,0|3,0,0]=4 1155 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [1,0,0,0,0,0|1,0,2]=4 1156 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,0,0,0,0,0|1,0,0]=2 1157 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [1,0,0,0,0,0|1,0,2]=4 1158 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [1,0,0,0,0,0|1,0,2]=4 1159 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,0,0,0,0,0|1,0,0]=2 1160 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,0,0,0,0,0|1,0,0]=2 1161 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,0,0,0,0,0|1,0,0]=2 1162 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,0,0,0,0,0|1,0,0]=2 1163 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,0,0,0,0,0|1,0,0]=2 1164 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,0,0,0,0,0|1,0,0]=2 1165 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,0,0,0,0,0|1,0,0]=2 1166 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,0,0,0,0,0|1,0,0]=2 1167 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,0,0,0,0,0|2,0,0]=3 1168 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,0,0,0,0,0|1,0,0]=2 1169 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,0,0,0,0,0|1,0,0]=2 1170 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [1,0,0,0,0,0|2,0,0]=3 1171 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [1,0,0,0,0,0|2,0,0]=3 1172 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,0,0,0,0,0|2,0,0]=3 1173 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,0,0,0,0,0|2,0,0]=3 1174 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,0,0,0,0,0|2,0,0]=3 1175 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,0,0,0,0,0|2,0,0]=3 1176 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,0,0,0,0,0|2,0,0]=3 1177 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [1,0,0,0,0,0|2,0,1]=4 1178 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [1,0,0,0,0,0|2,0,1]=4 1179 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [1,0,0,0,0,0|2,0,1]=4 1180 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [1,0,0,0,0,0|2,0,1]=4 1181 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,0,0,0,0,0|2,0,0]=3 1182 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,0,0,0,0,0|2,0,0]=3 1183 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,0,0,0,0,0|2,0,0]=3 1184 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,0,0,0,0,0|2,0,0]=3 1185 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,0,0,0,0,0|2,0,0]=3 1186 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,0,0,0,0,0|2,0,0]=3 1187 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,0,0,0,0,0|2,0,0]=3 1188 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,0,0,0,0,0|2,0,0]=3 1189 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [1,0,0,0,0,0|2,0,0]=3 1190 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [1,0,0,0,0,0|2,0,0]=3 1191 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [1,0,0,0,0,0|2,0,0]=3 1192 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [1,0,0,0,0,0|2,0,0]=3 1193 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,0,0,0,0,0|2,0,0]=3 1194 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,0,0,0,0,0|2,0,0]=3 1195 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,0,0,0,0,0|2,0,0]=3 1196 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,0,0,0,0,0|2,0,0]=3 1197 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,0,0,0,0,0|2,0,0]=3 1198 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,0,0,0,0,0|2,0,0]=3 1199 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,0,0,0,0,0|2,0,0]=3 1200 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,0,0,0,0,0|2,0,0]=3 1201 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,0,0,0,0,0|2,0,0]=3 1202 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [1,0,0,0,0,0|3,0,0]=4 1203 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,0,0,0,0,0|2,0,0]=3 1204 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,0,0,0,0,0|2,0,0]=3 1205 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,0,0,0,0,0|2,0,0]=3 1206 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,0,0,0,0,0|2,0,0]=3 1207 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,0,0,0,0,0|2,0,0]=3 1208 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,0,0,0,0,0|2,0,0]=3 1209 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [1,0,0,0,0,0|2,0,1]=4 1210 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [1,0,0,0,0,0|2,0,1]=4 1211 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [1,0,0,0,0,0|2,0,0]=3 1212 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [1,0,0,0,0,0|2,0,0]=3 1213 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,0,0,0,0,0|2,0,0]=3 1214 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,0,0,0,0,0|2,0,0]=3 1215 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [1,0,0,0,0,0|2,0,0]=3 1216 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [1,0,0,0,0,0|2,0,0]=3 1217 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [1,0,0,0,0,0|2,0,0]=3 1218 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [1,0,0,0,0,0|2,0,0]=3 1219 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [1,0,0,0,0,0|2,0,0]=3 1220 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [1,0,0,0,0,0|2,0,0]=3 1221 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [1,0,0,0,0,0|3,0,0]=4 1222 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,0,0,0,0,0|2,0,0]=3 1223 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [1,0,0,0,0,0|3,0,0]=4 1224 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [1,0,0,0,0,0|3,0,0]=4 1225 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [1,0,0,0,0,0|3,0,0]=4 1226 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [1,0,0,0,0,0|3,0,0]=4 1227 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [1,0,0,0,0,0|3,0,0]=4 1228 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [1,0,0,0,0,0|1,0,2]=4 1229 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,0,0,0,0,0|3,0,0]=4 1230 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,0,0,0,0,0|3,0,0]=4 1231 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,0,0,0,0,0|3,0,0]=4 1232 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,0,0,0,0,0|1,0,0]=2 1233 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,0,0,0,0,0|1,0,0]=2 1234 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,0,0,0,0,0|2,0,0]=3 1235 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,0,0,0,0,0|2,0,0]=3 1236 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,0,0,0,0,0|2,0,0]=3 1237 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [1,0,0,0,0,0|3,0,0]=4 1238 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [1,0,0,0,0,0|3,0,0]=4 1239 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,0,0,0,0,0|3,0,0]=4 1240 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,0,0,0,0,0|3,0,0]=4 1241 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,0,0,0,0,0|3,0,0]=4 1242 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,0,0,0,0,0|3,0,0]=4 1243 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [1,0,0,0,0,0|3,0,0]=4 1244 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,0,0,0,0,0|3,0,0]=4 1245 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,0,0,0,0,0|3,0,0]=4 1246 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,0,0,0,0,0|3,0,0]=4 1247 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,0,0,0,0,0|3,0,0]=4 1248 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,0,0,0,0,0|3,0,0]=4 1249 B10R0.71 C#CCCCCCCOCC 34a_100011217361_100000210202 [1,0,0,0,0,0|0,0,3]=4 1250 B10R0.71 C#CCCCCCCOCC 34a_100121572206_100012276617 [1,0,0,0,0,0|0,0,3]=4 1251 B10R0.71 C#CCCCCCCOCC 7a_100011217361_100000210202 [1,0,0,0,0,0|0,0,3]=4 1252 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,0,0,0,0,0|0,0,3]=4 1253 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,0,0,0,0,0|0,0,3]=4 1254 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,0,0,0,0,0|0,0,3]=4 1255 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,0,0,0,0,0|2,0,0]=3 1256 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,0,0,0,0,0|2,0,0]=3 1257 B10R0.71 CC/C=C/CCCOCCF 34a_100016287902_100011217306 [1,0,0,0,0,0|3,0,0]=4 1258 B10R0.71 CC/C=C/CCCOCCF 7a_100016287902_100011217306 [1,0,0,0,0,0|3,0,0]=4 1259 B10R0.71 CC/C=C/CCCOCCO 34a_100016287902_100000211926 [1,0,0,0,0,0|3,0,0]=4 1260 B10R0.71 CC/C=C/CCCOCCO 7a_100016287902_100000211926 [1,0,0,0,0,0|3,0,0]=4 1261 B10R0.71 CC/C=C/CCCOCSC 34a_100016287902_100011218213 [1,0,0,0,0,0|3,0,0]=4 1262 B10R0.71 CC/C=C\CCCCCNC 269862a_106832991636_100016288537 [1,0,0,0,0,0|2,0,0]=3 1263 B10R0.71 CC/C=C\CCCCCOC 34a_100016268722_200000210301 [1,0,0,0,0,0|2,0,0]=3 1264 B10R0.71 CC/C=C\CCCCCOC 7a_100016268722_200000210301 [1,0,0,0,0,0|2,0,0]=3 1265 B10R0.71 CC/C=C\CCCCCO[13CH3] 34a_100016268722_200025704644 [1,0,0,0,0,0|2,0,0]=3 1266 B10R0.71 CC/C=C\CCCCCO[13CH3] 7a_100016268722_200025704644 [1,0,0,0,0,0|2,0,0]=3 1267 B10R0.71 CC/C=C\CCCCOCC 34a_100016287862_100000210202 [1,0,0,0,0,0|2,0,0]=3 1268 B10R0.71 CC/C=C\CCCCOCC 7a_100016287862_100000210202 [1,0,0,0,0,0|2,0,0]=3 1269 B10R0.71 CC/C=C\CCCCOCF 34a_100016287862_100015361967 [1,0,0,0,0,0|3,0,0]=4 1270 B10R0.71 CC/C=C\CCCCOCF 7a_100016287862_100015361967 [1,0,0,0,0,0|3,0,0]=4 1271 B10R0.71 CC/C=C\CCNCCCC 2230a_100000102301_100015370543 [1,0,0,0,0,0|2,0,0]=3 1272 B10R0.71 CC/C=C\CCNCCCC 7a_106832991798_100015370543 [1,0,0,0,0,0|2,0,0]=3 1273 B10R0.71 CC/C=C\CCNCCCF 2230a_100015189416_100015370543 [1,0,0,0,0,0|3,0,0]=4 1274 B10R0.71 CC/C=C\CCNCCCF 34a_100015189416_100015370543 [1,0,0,0,0,0|3,0,0]=4 1275 B10R0.71 CC/C=C\CCNCCOC 2230a_100000209980_100015370543 [1,0,0,0,0,0|3,0,0]=4 1276 B10R0.71 CC/C=C\CCNCCSC 2230a_100020590264_100015370543 [1,0,0,0,0,0|3,0,0]=4 1277 B10R0.71 CC/C=C\CCOCCCBr 34a_100011217188_100015370543 [1,0,0,0,0,0|3,0,0]=4 1278 B10R0.71 CC/C=C\CCOCCCC 34a_100000210227_100015370543 [1,0,0,0,0,0|2,0,0]=3 1279 B10R0.71 CC/C=C\CCOCCCC 34a_100016288707_100000210210 [1,0,0,0,0,0|2,0,0]=3 1280 B10R0.71 CC/C=C\CCOCCCC 7a_100000210227_100015370543 [1,0,0,0,0,0|2,0,0]=3 1281 B10R0.71 CC/C=C\CCOCCCC 7a_100016288707_100000210211 [1,0,0,0,0,0|2,0,0]=3 1282 B10R0.71 CC/C=C\CCOCCCCl 34a_100000230001_100015370543 [1,0,0,0,0,0|3,0,0]=4 1283 B10R0.71 CC/C=C\CCOCCCF 34a_100000759539_100015370543 [1,0,0,0,0,0|3,0,0]=4 1284 B10R0.71 CC/C=C\CCOCCCF 34a_100016288707_100011934791 [1,0,0,0,0,0|3,0,0]=4 1285 B10R0.71 CC/C=C\CCOCCCF 7a_100016288707_100011934791 [1,0,0,0,0,0|3,0,0]=4 1286 B10R0.71 CC/C=C\CCOCCCN 34a_100000182051_100015370543 [1,0,0,0,0,0|3,0,0]=4 1287 B10R0.71 CC/C=C\CCOCCCO 34a_100016288707_100000230001 [1,0,0,0,0,0|3,0,0]=4 1288 B10R0.71 CC/C=C\CCOCCCO 7a_100016288707_100011215043 [1,0,0,0,0,0|3,0,0]=4 1289 B10R0.71 CC/C=C\CCOCCOC 34a_100000210237_100015370543 [1,0,0,0,0,0|3,0,0]=4 1290 B10R0.71 CC/C=C\CCOCCOC 34a_100016288707_100011201679 [1,0,0,0,0,0|3,0,0]=4 1291 B10R0.71 CC/C=C\CCOCCOC 7a_100016288707_100000233755 [1,0,0,0,0,0|3,0,0]=4 1292 B10R0.71 CC/C=C\CCOCCSC 34a_100000230434_100015370543 [1,0,0,0,0,0|3,0,0]=4 1293 B10R0.71 CC/C=C\CCOCCSC 34a_100016288707_100000212216 [1,0,0,0,0,0|3,0,0]=4 1294 B10R0.71 CC/C=C\CCOCCSC 7a_100000230434_100015370543 [1,0,0,0,0,0|3,0,0]=4 1295 B10R0.71 CC/C=C\CCOCCSC 7a_100016288707_100000212216 [1,0,0,0,0,0|3,0,0]=4 1296 B10R0.71 CC/C=C\CCSCCCC 62a_100000210211_100015370543 [1,0,0,0,0,0|2,0,0]=3 1297 B10R0.71 CC/C=C\CCSCCCC 62a_100015370543_100000210210 [1,0,0,0,0,0|2,0,0]=3 1298 B10R0.71 CC/C=C\CCSCCCF 62a_100011934791_100015370543 [1,0,0,0,0,0|3,0,0]=4 1299 B10R0.71 CC/C=C\CCSCCCF 62a_100015370543_100011934791 [1,0,0,0,0,0|3,0,0]=4 1300 B10R0.71 CC/C=C\CCSCCCO 62a_100011215043_100015370543 [1,0,0,0,0,0|3,0,0]=4 1301 B10R0.71 CC/C=C\CCSCCCO 62a_100015370543_100011215043 [1,0,0,0,0,0|3,0,0]=4 1302 B10R0.71 CC/C=C\CCSCCOC 62a_100000233755_100015370543 [1,0,0,0,0,0|3,0,0]=4 1303 B10R0.71 CC/C=C\CCSCCOC 62a_100015370543_100000233755 [1,0,0,0,0,0|3,0,0]=4 1304 B10R0.71 CC/C=C\CCSCCSC 62a_100000212216_100015370543 [1,0,0,0,0,0|3,0,0]=4 1305 B10R0.71 CC/C=C\CCSCCSC 62a_100015370543_100000751147 [1,0,0,0,0,0|3,0,0]=4 1306 B10R0.71 CC/C=C\CCSCOCC 62a_100000739092_100015370543 [1,0,0,0,0,0|3,0,0]=4 1307 B10R0.71 CC/C=C\CCSCOCC 62a_100015370543_100000739092 [1,0,0,0,0,0|3,0,0]=4 1308 B10R0.71 CC/C=C\CNCCCCC 2230a_100000209983_100103147603 [1,0,0,0,0,0|2,0,0]=3 1309 B10R0.71 CC/C=C\CNCCCCO 2230a_100000750430_100103147603 [1,0,0,0,0,0|3,0,0]=4 1310 B10R0.71 CC/C=C\CNCCCCO 34a_100000750430_100103147603 [1,0,0,0,0,0|3,0,0]=4 1311 B10R0.71 CC/C=C\CNCCCOC 34a_100150723488_100103147603 [1,0,0,0,0,0|3,0,0]=4 1312 B10R0.71 CC/C=C\CNCCCSC 2230a_100000749238_100103147603 [1,0,0,0,0,0|3,0,0]=4 1313 B10R0.71 CC/C=C\CNCCOCC 2230a_102516460346_100103147603 [1,0,0,0,0,0|3,0,0]=4 1314 B10R0.71 CC/C=C\CNCCOCC 34a_102516460346_100103147603 [1,0,0,0,0,0|3,0,0]=4 1315 B10R0.71 CC/C=C\CNCCSCC 2230a_100000106463_100103147603 [1,0,0,0,0,0|3,0,0]=4 1316 B10R0.71 CC/C=C\COCCCCBr 34a_100011216708_100103147603 [1,0,0,0,0,0|3,0,0]=4 1317 B10R0.71 CC/C=C\COCCCCC 34a_100000210253_100103147603 [1,0,0,0,0,0|2,0,0]=3 1318 B10R0.71 CC/C=C\COCCCCC 34a_100016268518_100000718602 [1,0,0,0,0,0|2,0,0]=3 1319 B10R0.71 CC/C=C\COCCCCC 7a_100000210253_100103147603 [1,0,0,0,0,0|2,0,0]=3 1320 B10R0.71 CC/C=C\COCCCCCl 34a_100000210776_100103147603 [1,0,0,0,0,0|3,0,0]=4 1321 B10R0.71 CC/C=C\COCCCCCl 7a_100000210776_100103147603 [1,0,0,0,0,0|3,0,0]=4 1322 B10R0.71 CC/C=C\COCCCCF 34a_100011995726_100103147603 [1,0,0,0,0,0|3,0,0]=4 1323 B10R0.71 CC/C=C\COCCCCF 34a_100016268518_100000729493 [1,0,0,0,0,0|3,0,0]=4 1324 B10R0.71 CC/C=C\COCCCCF 7a_100011995726_100103147603 [1,0,0,0,0,0|3,0,0]=4 1325 B10R0.71 CC/C=C\COCCCCI 34a_200012148704_100103147603 [1,0,0,0,0,0|3,0,0]=4 1326 B10R0.71 CC/C=C\COCCCCN 34a_100000750430_100103147603 [1,0,0,0,0,0|3,0,0]=4 1327 B10R0.71 CC/C=C\COCCCCO 34a_100016268518_100011216708 [1,0,0,0,0,0|3,0,0]=4 1328 B10R0.71 CC/C=C\COCCCNC 34a_100000213112_100103147603 [1,0,0,0,0,0|3,0,0]=4 1329 B10R0.71 CC/C=C\COCCCOC 34a_100000740835_100103147603 [1,0,0,0,0,0|3,0,0]=4 1330 B10R0.71 CC/C=C\COCCCOC 34a_100016268518_100000740836 [1,0,0,0,0,0|3,0,0]=4 1331 B10R0.71 CC/C=C\COCCCSC 34a_100000690336_100103147603 [1,0,0,0,0,0|3,0,0]=4 1332 B10R0.71 CC/C=C\COCCCSC 7a_100000690336_100103147603 [1,0,0,0,0,0|3,0,0]=4 1333 B10R0.71 CC/C=C\COCCOCC 34a_100000210136_100103147603 [1,0,0,0,0,0|3,0,0]=4 1334 B10R0.71 CC/C=C\COCCOCC 34a_100016268518_100000210147 [1,0,0,0,0,0|3,0,0]=4 1335 B10R0.71 CC/C=C\COCCOCC 7a_100000210136_100103147603 [1,0,0,0,0,0|3,0,0]=4 1336 B10R0.71 CC/C=C\COCCSCC 34a_100000212035_100103147603 [1,0,0,0,0,0|3,0,0]=4 1337 B10R0.71 CC/C=C\COCCSCC 34a_100016268518_100000757381 [1,0,0,0,0,0|3,0,0]=4 1338 B10R0.71 CC/C=C\COCCSCC 7a_100000212035_100103147603 [1,0,0,0,0,0|3,0,0]=4 1339 B10R0.71 CC/C=C\CSCCCCC 62a_100000210326_100103147603 [1,0,0,0,0,0|2,0,0]=3 1340 B10R0.71 CC/C=C\CSCCCCC 62a_100103147603_100000210326 [1,0,0,0,0,0|2,0,0]=3 1341 B10R0.71 CC/C=C\CSCCCCF 62a_100000729493_100103147603 [1,0,0,0,0,0|3,0,0]=4 1342 B10R0.71 CC/C=C\CSCCCCF 62a_100103147603_100000729493 [1,0,0,0,0,0|3,0,0]=4 1343 B10R0.71 CC/C=C\CSCCCCO 62a_100000210776_100103147603 [1,0,0,0,0,0|3,0,0]=4 1344 B10R0.71 CC/C=C\CSCCCCO 62a_100103147603_100000210776 [1,0,0,0,0,0|3,0,0]=4 1345 B10R0.71 CC/C=C\CSCCCOC 62a_100000709357_100103147603 [1,0,0,0,0,0|3,0,0]=4 1346 B10R0.71 CC/C=C\CSCCCOC 62a_100103147603_100000709357 [1,0,0,0,0,0|3,0,0]=4 1347 B10R0.71 CC/C=C\CSCCOCC 62a_100000210147_100103147603 [1,0,0,0,0,0|3,0,0]=4 1348 B10R0.71 CC/C=C\CSCCOCC 62a_100103147603_100011215890 [1,0,0,0,0,0|3,0,0]=4 1349 B10R0.71 CC/C=C\CSCCSCC 62a_100000757381_100103147603 [1,0,0,0,0,0|3,0,0]=4 1350 B10R0.71 CC/C=C\CSCCSCC 62a_100103147603_100000757381 [1,0,0,0,0,0|3,0,0]=4 1351 B10R0.71 CC=C=CCCOCCCC 34a_100011020354_100000210210 [1,0,0,0,0,0|2,0,1]=4 1352 B10R0.71 CCC#CCCOCCCC 34a_100000036655_100000210210 [1,0,0,0,0,0|2,0,1]=4 1353 B10R0.71 CCC#CCCOCCCC 7a_100000036655_100000210211 [1,0,0,0,0,0|2,0,1]=4 1354 B10R0.71 CCC#CCNCCCCC 2230a_100000209983_100009813939 [1,0,0,0,0,0|2,0,1]=4 1355 B10R0.71 CCC#CCOCCCCC 34a_100000032950_100000718602 [1,0,0,0,0,0|2,0,1]=4 1356 B10R0.71 CCC#CCOCCCCC 34a_100000210253_100009813939 [1,0,0,0,0,0|2,0,1]=4 1357 B10R0.71 CCC#CCOCCCCC 7a_100000210253_100009813939 [1,0,0,0,0,0|2,0,1]=4 1358 B10R0.71 CCC#CCSCCCCC 62a_100000210326_100009813939 [1,0,0,0,0,0|2,0,1]=4 1359 B10R0.71 CCC#CCSCCCCC 62a_100009813939_100000210326 [1,0,0,0,0,0|2,0,1]=4 1360 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,0,0,0,0,0|2,0,1]=4 1361 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,0,0,0,0,0|2,0,1]=4 1362 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,0,0,0,0,0|0,0,3]=4 1363 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,0,0,0,0,0|0,0,3]=4 1364 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,0,0,0,0,0|3,0,0]=4 1365 B10R0.71 CCCCC#CCCOCC 34a_100000037610_100000210202 [1,0,0,0,0,0|0,0,3]=4 1366 B10R0.71 CCCCC#CCCOCC 7a_100000037610_100000210202 [1,0,0,0,0,0|0,0,3]=4 1367 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,0,0,0,0,0|0,0,3]=4 1368 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,0,0,0,0,0|0,0,3]=4 1369 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,0,0,0,0,0|0,0,3]=4 1370 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,0,0,0,0,0|0,0,3]=4 1371 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,0,0,0,0,0|0,0,3]=4 1372 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,0,0,0,0,0|2,0,1]=4 1373 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,0,0,0,0,0|2,0,1]=4 1374 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,0,0,0,0,0|2,0,1]=4 1375 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,0,0,0,0,0|2,0,1]=4 1376 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,0,0,0,0,0|2,0,1]=4 1377 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,0,0,0,0,0|2,0,1]=4 1378 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,0,0,0,0,0|2,0,1]=4 1379 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,0,0,0,0,0|2,0,1]=4 1380 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,0,0,0,0,0|2,0,1]=4 1381 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,0,0,0,0,0|2,0,1]=4 1382 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,0,0,0,0,0|2,0,1]=4 1383 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,0,0,0,0,0|2,0,1]=4 1384 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,0,0,0,0,0|2,0,1]=4 1385 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,0,0,0,0,0|2,0,1]=4 1386 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,0,0,0,0,0|2,0,1]=4 1387 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,0,0,0,0,0|2,0,1]=4 1388 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,0,0,0,0,0|2,0,1]=4 1389 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,0,0,0,0,0|2,0,1]=4 1390 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,0,0,0,0,0|2,0,1]=4 1391 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 1392 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,0,0,0,0,0|1,0,1]=3 1393 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,0,0,0,0,0|1,0,1]=3 1394 B10R0.71 CCCCCCCCNCF 34a_100000229939_100015361967 [1,0,0,0,0,0|2,0,1]=4 1395 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,0,0,0,0,0|0,0,1]=2 1396 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,0,0,0,0,0|0,0,1]=2 1397 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,0,0,0,0,0|0,0,1]=2 1398 B10R0.71 CCCCCCCCOCF 34a_100000210232_100015361967 [1,0,0,0,0,0|1,0,1]=3 1399 B10R0.71 CCCCCCCCOCF 7a_100000210232_100015361967 [1,0,0,0,0,0|1,0,1]=3 1400 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,0,0,0,0,0|0,1,1]=3 1401 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,0,0,0,0,0|0,1,1]=3 1402 B10R0.71 CCCCCCCCSCF 62a_100000210759_100015361967 [1,0,0,0,0,0|1,1,1]=4 1403 B10R0.71 CCCCCCCCSCF 62a_100015361967_100000210317 [1,0,0,0,0,0|1,1,1]=4 1404 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,0,0,0,0,0|2,0,0]=3 1405 B10R0.71 CCCCCCCNCCF 2230a_100000229938_100011217306 [1,0,0,0,0,0|3,0,0]=4 1406 B10R0.71 CCCCCCCNCCF 34a_100000724931_100000210614 [1,0,0,0,0,0|3,0,0]=4 1407 B10R0.71 CCCCCCCNCCO 2230a_100000229938_100000211926 [1,0,0,0,0,0|3,0,0]=4 1408 B10R0.71 CCCCCCCNCCO 2230a_100016997473_100000210681 [1,0,0,0,0,0|3,0,0]=4 1409 B10R0.71 CCCCCCCNCCO 34a_100016990907_100000210614 [1,0,0,0,0,0|3,0,0]=4 1410 B10R0.71 CCCCCCCNCOC 2230a_100000229938_100000766300 [1,0,0,0,0,0|3,0,0]=4 1411 B10R0.71 CCCCCCCNCSC 2230a_100000229938_100011218213 [1,0,0,0,0,0|3,0,0]=4 1412 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,0,0,0,0,0|3,0,0]=4 1413 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,0,0,0,0,0|2,0,0]=3 1414 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,0,0,0,0,0|2,0,0]=3 1415 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,0,0,0,0,0|2,0,0]=3 1416 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,0,0,0,0,0|3,0,0]=4 1417 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,0,0,0,0,0|3,0,0]=4 1418 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,0,0,0,0,0|3,0,0]=4 1419 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,0,0,0,0,0|3,0,0]=4 1420 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,0,0,0,0,0|3,0,0]=4 1421 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,0,0,0,0,0|3,0,0]=4 1422 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,0,0,0,0,0|2,0,0]=3 1423 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,0,0,0,0,0|2,0,0]=3 1424 B10R0.71 CCCCCCCSCCF 62a_100000210614_100011217306 [1,0,0,0,0,0|3,0,0]=4 1425 B10R0.71 CCCCCCCSCCF 62a_100011217306_100000210316 [1,0,0,0,0,0|3,0,0]=4 1426 B10R0.71 CCCCCCCSCCO 62a_100000210614_100000211926 [1,0,0,0,0,0|3,0,0]=4 1427 B10R0.71 CCCCCCCSCCO 62a_100000211926_100000210316 [1,0,0,0,0,0|3,0,0]=4 1428 B10R0.71 CCCCCCCSCOC 62a_100000210614_100000766300 [1,0,0,0,0,0|3,0,0]=4 1429 B10R0.71 CCCCCCCSCOC 62a_100000766300_100000210316 [1,0,0,0,0,0|3,0,0]=4 1430 B10R0.71 CCCCCCCSCSC 62a_100000210614_100011218213 [1,0,0,0,0,0|3,0,0]=4 1431 B10R0.71 CCCCCCCSCSC 62a_100011218213_100000210316 [1,0,0,0,0,0|3,0,0]=4 1432 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,0,0,0,0,0|2,0,1]=4 1433 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,0,0,0,0,0|2,0,1]=4 1434 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,0,0,0,0,0|2,0,1]=4 1435 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,0,0,0,0,0|2,0,1]=4 1436 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,0,0,0,0,0|2,0,1]=4 1437 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,0,0,0,0,0|2,0,1]=4 1438 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,0,0,0,0,0|2,0,1]=4 1439 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,0,0,0,0,0|2,0,1]=4 1440 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,0,0,0,0,0|2,0,1]=4 1441 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,0,0,0,0,0|1,0,1]=3 1442 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,0,0,0,0,0|1,0,1]=3 1443 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,0,0,0,0,0|2,0,1]=4 1444 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,0,0,0,0,0|1,0,1]=3 1445 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,0,0,0,0,0|1,0,1]=3 1446 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,0,0,0,0,0|1,0,1]=3 1447 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,0,0,0,0,0|1,0,1]=3 1448 B10R0.71 CCCCCNCCOCF 34a_100000224656_100015361967 [1,0,0,0,0,0|2,0,1]=4 1449 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,0,0,0,0,0|1,1,1]=4 1450 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,0,0,0,0,0|1,1,1]=4 1451 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,0,0,0,0,0|2,0,1]=4 1452 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,0,0,0,0,0|2,0,1]=4 1453 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,0,0,0,0,0|1,0,1]=3 1454 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,0,0,0,0,0|1,0,1]=3 1455 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,0,0,0,0,0|1,0,1]=3 1456 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,0,0,0,0,0|1,0,1]=3 1457 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,0,0,0,0,0|1,0,1]=3 1458 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,0,0,0,0,0|1,0,1]=3 1459 B10R0.71 CCCCCOCCOCF 34a_100011215259_100015361967 [1,0,0,0,0,0|2,0,1]=4 1460 B10R0.71 CCCCCOCCOCF 7a_100011215259_100015361967 [1,0,0,0,0,0|2,0,1]=4 1461 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,0,0,0,0,0|1,1,1]=4 1462 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,0,0,0,0,0|1,1,1]=4 1463 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,0,0,0,0,0|1,1,1]=4 1464 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,0,0,0,0,0|1,1,1]=4 1465 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,0,0,0,0,0|2,0,1]=4 1466 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,0,0,0,0,0|1,0,1]=3 1467 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,0,0,0,0,0|1,0,1]=3 1468 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,0,0,0,0,0|1,1,1]=4 1469 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,0,0,0,0,0|1,1,1]=4 1470 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,0,0,0,0,0|1,0,1]=3 1471 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,0,0,0,0,0|1,0,1]=3 1472 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,0,0,0,0,0|1,0,1]=3 1473 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,0,0,0,0,0|1,0,1]=3 1474 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,0,0,0,0,0|3,0,0]=4 1475 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,0,0,0,0,0|3,0,0]=4 1476 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,0,0,0,0,0|3,0,0]=4 1477 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,0,0,0,0,0|3,0,0]=4 1478 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,0,0,0,0,0|3,0,0]=4 1479 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 1480 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,0,0,0,0,0|2,0,1]=4 1481 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,0,0,0,0,0|1,0,1]=3 1482 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,0,0,0,0,0|1,0,1]=3 1483 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,0,0,0,0,0|1,0,1]=3 1484 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,0,0,0,0,0|1,0,1]=3 1485 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,0,0,0,0,0|1,0,1]=3 1486 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,0,0,0,0,0|1,0,1]=3 1487 B10R0.71 CCCCOCCCOCF 34a_200011215613_100015361967 [1,0,0,0,0,0|2,0,1]=4 1488 B10R0.71 CCCCOCCCOCF 7a_200011215613_100015361967 [1,0,0,0,0,0|2,0,1]=4 1489 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,0,0,0,0,0|1,1,1]=4 1490 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,0,0,0,0,0|1,1,1]=4 1491 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,0,0,0,0,0|3,0,0]=4 1492 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,0,0,0,0,0|3,0,0]=4 1493 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,0,0,0,0,0|3,0,0]=4 1494 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,0,0,0,0,0|3,0,0]=4 1495 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,0,0,0,0,0|3,0,0]=4 1496 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,0,0,0,0,0|3,0,0]=4 1497 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,0,0,0,0,0|3,0,0]=4 1498 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,0,0,0,0,0|3,0,0]=4 1499 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,0,0,0,0,0|3,0,0]=4 1500 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,0,0,0,0,0|3,0,0]=4 1501 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,0,0,0,0,0|3,0,0]=4 1502 B10R0.71 CCCCOCSCOCC 62a_100000739092_100011995733 [1,0,0,0,0,0|2,0,1]=4 1503 B10R0.71 CCCCOCSCOCC 62a_100011995733_100000739092 [1,0,0,0,0,0|2,0,1]=4 1504 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,0,0,0,0,0|1,0,1]=3 1505 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,0,0,0,0,0|1,0,1]=3 1506 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,0,0,0,0,0|3,0,0]=4 1507 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,0,0,0,0,0|3,0,0]=4 1508 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,0,0,0,0,0|3,0,0]=4 1509 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,0,0,0,0,0|3,0,0]=4 1510 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,0,0,0,0,0|3,0,0]=4 1511 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,0,0,0,0,0|3,0,0]=4 1512 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,0,0,0,0,0|3,0,0]=4 1513 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,0,0,0,0,0|3,0,0]=4 1514 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,0,0,0,0,0|3,0,0]=4 1515 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,0,0,0,0,0|3,0,0]=4 1516 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,0,0,0,0,0|3,0,0]=4 1517 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,0,0,0,0,0|3,0,0]=4 1518 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,0,0,0,0,0|3,0,0]=4 1519 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,0,0,0,0,0|3,0,0]=4 1520 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,0,0,0,0,0|3,0,0]=4 1521 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,0,0,0,0,0|3,0,0]=4 1522 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,0,0,0,0,0|3,0,0]=4 1523 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,0,0,0,0,0|3,0,0]=4 1524 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,0,0,0,0,0|3,0,0]=4 1525 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,0,0,0,0,0|3,0,0]=4 1526 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,0,0,0,0,0|3,0,0]=4 1527 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,0,0,0,0,0|2,0,1]=4 1528 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,0,0,0,0,0|2,0,1]=4 1529 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,0,0,0,0,0|3,0,0]=4 1530 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,0,0,0,0,0|3,0,0]=4 1531 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,0,0,0,0,0|3,0,0]=4 1532 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,0,0,0,0,0|3,0,0]=4 1533 B10R0.71 CCNCCCCCCCO 2230a_100011996573_100000210202 [1,0,0,0,0,0|2,0,1]=4 1534 B10R0.71 CCNCCCCCCCO 2230a_100015525214_100000760002 [1,0,0,0,0,0|2,0,1]=4 1535 B10R0.71 CCNCCCCCCCO 34a_100011996573_100000210202 [1,0,0,0,0,0|2,0,1]=4 1536 B10R0.71 CCNCCCCCCOC 2230a_100015525214_100011998445 [1,0,0,0,0,0|2,0,1]=4 1537 B10R0.71 CCNCCOCCOCC 2230a_100015525214_100011211534 [1,0,0,0,0,0|2,0,1]=4 1538 B10R0.71 CCNCCOCCOCC 2230a_100102712874_100000210202 [1,0,0,0,0,0|2,0,1]=4 1539 B10R0.71 CCNCCOCCOCC 34a_100102712874_100000210202 [1,0,0,0,0,0|2,0,1]=4 1540 B10R0.71 CCOCCCCCCCBr 34a_100000760002_100000210202 [1,0,0,0,0,0|1,0,1]=3 1541 B10R0.71 CCOCCCCCCCBr 7a_100000760002_100000210202 [1,0,0,0,0,0|1,0,1]=3 1542 B10R0.71 CCOCCCCCCCN 34a_100011996573_100000210202 [1,0,0,0,0,0|1,0,1]=3 1543 B10R0.71 CCOCCCCCCCO 34a_100121572206_100000760002 [1,0,0,0,0,0|1,0,1]=3 1544 B10R0.71 CCOCCCCCCOC 34a_100121572206_100011998445 [1,0,0,0,0,0|1,0,1]=3 1545 B10R0.71 CCOCCCCCCOC 34a_200012092642_100000210202 [1,0,0,0,0,0|1,0,1]=3 1546 B10R0.71 CCOCCCCCCOC 7a_200012092642_100000210202 [1,0,0,0,0,0|1,0,1]=3 1547 B10R0.71 CCOCCCNCCCF 2230a_100000210961_100011934791 [1,0,0,0,0,0|2,0,1]=4 1548 B10R0.71 CCOCCCNCCCF 2230a_100015189416_100012232248 [1,0,0,0,0,0|2,0,1]=4 1549 B10R0.71 CCOCCCNCCCF 34a_100000210961_100011934791 [1,0,0,0,0,0|2,0,1]=4 1550 B10R0.71 CCOCCCNCCCF 34a_100015189416_100012232248 [1,0,0,0,0,0|2,0,1]=4 1551 B10R0.71 CCOCCCNCCCO 2230a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 1552 B10R0.71 CCOCCCNCCCO 34a_100000210961_100000230001 [1,0,0,0,0,0|2,0,1]=4 1553 B10R0.71 CCOCCCNCCOC 2230a_100000209980_100012232248 [1,0,0,0,0,0|2,0,1]=4 1554 B10R0.71 CCOCCCNCCOC 2230a_100000210961_100011201679 [1,0,0,0,0,0|2,0,1]=4 1555 B10R0.71 CCOCCCNCCOC 34a_100000210961_100011201679 [1,0,0,0,0,0|2,0,1]=4 1556 B10R0.71 CCOCCCNCCSC 2230a_100000210961_100000751147 [1,0,0,0,0,0|2,0,1]=4 1557 B10R0.71 CCOCCCNCCSC 2230a_100020590264_100012232248 [1,0,0,0,0,0|2,0,1]=4 1558 B10R0.71 CCOCCCNCCSC 34a_100000210961_100000212216 [1,0,0,0,0,0|2,0,1]=4 1559 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,0,0,0,0,0|2,0,1]=4 1560 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,0,0,0,0,0|2,0,1]=4 1561 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,0,0,0,0,0|2,0,1]=4 1562 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,0,0,0,0,0|2,0,1]=4 1563 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,0,0,0,0,0|2,0,1]=4 1564 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,0,0,0,0,0|2,0,1]=4 1565 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,0,0,0,0,0|2,0,1]=4 1566 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,0,0,0,0,0|2,0,1]=4 1567 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,0,0,0,0,0|2,0,1]=4 1568 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,0,0,0,0,0|2,0,1]=4 1569 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,0,0,0,0,0|2,0,1]=4 1570 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,0,0,0,0,0|2,0,1]=4 1571 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,0,0,0,0,0|2,0,1]=4 1572 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,0,0,0,0,0|2,0,1]=4 1573 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,0,0,0,0,0|2,0,1]=4 1574 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,0,0,0,0,0|2,0,1]=4 1575 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,0,0,0,0,0|2,0,1]=4 1576 B10R0.71 CCOCCCSCCCF 62a_100011934791_100012232248 [1,0,0,0,0,0|2,0,1]=4 1577 B10R0.71 CCOCCCSCCCF 62a_100012232248_100011934791 [1,0,0,0,0,0|2,0,1]=4 1578 B10R0.71 CCOCCCSCCCO 62a_100011215043_100012232248 [1,0,0,0,0,0|2,0,1]=4 1579 B10R0.71 CCOCCCSCCCO 62a_100012232248_100011215043 [1,0,0,0,0,0|2,0,1]=4 1580 B10R0.71 CCOCCCSCCOC 62a_100000233755_100012232248 [1,0,0,0,0,0|2,0,1]=4 1581 B10R0.71 CCOCCCSCCOC 62a_100012232248_100000233755 [1,0,0,0,0,0|2,0,1]=4 1582 B10R0.71 CCOCCCSCCSC 62a_100000212216_100012232248 [1,0,0,0,0,0|2,0,1]=4 1583 B10R0.71 CCOCCCSCCSC 62a_100012232248_100000751147 [1,0,0,0,0,0|2,0,1]=4 1584 B10R0.71 CCOCCCSCOCC 62a_100000739092_100012232248 [1,0,0,0,0,0|2,0,1]=4 1585 B10R0.71 CCOCCCSCOCC 62a_100012232248_100000739092 [1,0,0,0,0,0|2,0,1]=4 1586 B10R0.71 CCOCCNCCCCF 2230a_102516460346_100000729493 [1,0,0,0,0,0|2,0,1]=4 1587 B10R0.71 CCOCCNCCCCF 34a_102516460346_100000729493 [1,0,0,0,0,0|2,0,1]=4 1588 B10R0.71 CCOCCNCCCCO 2230a_100000750430_100011215890 [1,0,0,0,0,0|2,0,1]=4 1589 B10R0.71 CCOCCNCCCCO 2230a_102516460346_100000210776 [1,0,0,0,0,0|2,0,1]=4 1590 B10R0.71 CCOCCNCCCCO 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,1]=4 1591 B10R0.71 CCOCCNCCCCO 34a_102516460346_100011216708 [1,0,0,0,0,0|2,0,1]=4 1592 B10R0.71 CCOCCNCCCOC 2230a_102516460346_100000740836 [1,0,0,0,0,0|2,0,1]=4 1593 B10R0.71 CCOCCNCCCOC 34a_100150723488_100000210147 [1,0,0,0,0,0|2,0,1]=4 1594 B10R0.71 CCOCCNCCCOC 34a_102516460346_100000740836 [1,0,0,0,0,0|2,0,1]=4 1595 B10R0.71 CCOCCNCCCSC 2230a_100000749238_100011215890 [1,0,0,0,0,0|2,0,1]=4 1596 B10R0.71 CCOCCNCCOCC 2230a_102516460346_100011215890 [1,0,0,0,0,0|2,0,1]=4 1597 B10R0.71 CCOCCNCCOCC 34a_102516460346_100000210147 [1,0,0,0,0,0|2,0,1]=4 1598 B10R0.71 CCOCCNCCSCC 2230a_100000106463_100011215890 [1,0,0,0,0,0|2,0,1]=4 1599 B10R0.71 CCOCCNCCSCC 2230a_102516460346_100000757381 [1,0,0,0,0,0|2,0,1]=4 1600 B10R0.71 CCOCCNCCSCC 34a_102516460346_100000757381 [1,0,0,0,0,0|2,0,1]=4 1601 B10R0.71 CCOCCOCCCCBr 34a_100011216708_100000210147 [1,0,0,0,0,0|2,0,1]=4 1602 B10R0.71 CCOCCOCCCCCl 34a_100000210776_100000210147 [1,0,0,0,0,0|2,0,1]=4 1603 B10R0.71 CCOCCOCCCCCl 7a_100000210776_100011215890 [1,0,0,0,0,0|2,0,1]=4 1604 B10R0.71 CCOCCOCCCCF 34a_100000210136_100000729493 [1,0,0,0,0,0|2,0,1]=4 1605 B10R0.71 CCOCCOCCCCF 34a_100011995726_100000210147 [1,0,0,0,0,0|2,0,1]=4 1606 B10R0.71 CCOCCOCCCCF 7a_100000210136_100000729493 [1,0,0,0,0,0|2,0,1]=4 1607 B10R0.71 CCOCCOCCCCF 7a_100011995726_100011215890 [1,0,0,0,0,0|2,0,1]=4 1608 B10R0.71 CCOCCOCCCCI 34a_200012148704_100000210147 [1,0,0,0,0,0|2,0,1]=4 1609 B10R0.71 CCOCCOCCCCN 34a_100000750430_100000210147 [1,0,0,0,0,0|2,0,1]=4 1610 B10R0.71 CCOCCOCCCCO 34a_100000210136_100011216708 [1,0,0,0,0,0|2,0,1]=4 1611 B10R0.71 CCOCCOCCCCO 7a_100000210136_100000210776 [1,0,0,0,0,0|2,0,1]=4 1612 B10R0.71 CCOCCOCCCNC 34a_100000213112_100000210147 [1,0,0,0,0,0|2,0,1]=4 1613 B10R0.71 CCOCCOCCCOC 34a_100000210136_100000740836 [1,0,0,0,0,0|2,0,1]=4 1614 B10R0.71 CCOCCOCCCOC 34a_100000740835_100000210147 [1,0,0,0,0,0|2,0,1]=4 1615 B10R0.71 CCOCCOCCCOC 7a_100000210136_100000740836 [1,0,0,0,0,0|2,0,1]=4 1616 B10R0.71 CCOCCOCCCSC 34a_100000690336_100000210147 [1,0,0,0,0,0|2,0,1]=4 1617 B10R0.71 CCOCCOCCCSC 7a_100000690336_100011215890 [1,0,0,0,0,0|2,0,1]=4 1618 B10R0.71 CCOCCOCCOCC 34a_100000210136_100000210147 [1,0,0,0,0,0|2,0,1]=4 1619 B10R0.71 CCOCCOCCOCC 34a_100000210240_100000210202 [1,0,0,0,0,0|2,0,1]=4 1620 B10R0.71 CCOCCOCCOCC 34a_100121572206_100011211534 [1,0,0,0,0,0|2,0,1]=4 1621 B10R0.71 CCOCCOCCOCC 7a_100000210136_100011215890 [1,0,0,0,0,0|2,0,1]=4 1622 B10R0.71 CCOCCOCCOCC 7a_100000210240_100000210202 [1,0,0,0,0,0|2,0,1]=4 1623 B10R0.71 CCOCCOCCSCC 34a_100000210136_100000757381 [1,0,0,0,0,0|2,0,1]=4 1624 B10R0.71 CCOCCOCCSCC 34a_100000212035_100000210147 [1,0,0,0,0,0|2,0,1]=4 1625 B10R0.71 CCOCCOCCSCC 62a_100000210202_100011211534 [1,0,0,0,0,0|2,0,1]=4 1626 B10R0.71 CCOCCOCCSCC 62a_100011211534_100000210202 [1,0,0,0,0,0|2,0,1]=4 1627 B10R0.71 CCOCCOCCSCC 7a_100000210136_100000757381 [1,0,0,0,0,0|2,0,1]=4 1628 B10R0.71 CCOCCOCCSCC 7a_100000212035_100011215890 [1,0,0,0,0,0|2,0,1]=4 1629 B10R0.71 CCOCCSCCCCF 62a_100000210147_100000729493 [1,0,0,0,0,0|2,0,1]=4 1630 B10R0.71 CCOCCSCCCCF 62a_100000729493_100011215890 [1,0,0,0,0,0|2,0,1]=4 1631 B10R0.71 CCOCCSCCCCO 62a_100000210147_100000210776 [1,0,0,0,0,0|2,0,1]=4 1632 B10R0.71 CCOCCSCCCCO 62a_100000210776_100011215890 [1,0,0,0,0,0|2,0,1]=4 1633 B10R0.71 CCOCCSCCCOC 62a_100000210147_100000709357 [1,0,0,0,0,0|2,0,1]=4 1634 B10R0.71 CCOCCSCCCOC 62a_100000709357_100011215890 [1,0,0,0,0,0|2,0,1]=4 1635 B10R0.71 CCOCCSCCOCC 62a_100000210147_100011215890 [1,0,0,0,0,0|2,0,1]=4 1636 B10R0.71 CCOCCSCCSCC 62a_100000210147_100000757381 [1,0,0,0,0,0|2,0,1]=4 1637 B10R0.71 CCOCCSCCSCC 62a_100000757381_100011215890 [1,0,0,0,0,0|2,0,1]=4 1638 B10R0.71 CCOCSCCCCCF 62a_100000729378_100000739092 [1,0,0,0,0,0|2,0,1]=4 1639 B10R0.71 CCOCSCCCCCF 62a_100000739092_100000729378 [1,0,0,0,0,0|2,0,1]=4 1640 B10R0.71 CCOCSCCCCCO 62a_100000739092_100000746330 [1,0,0,0,0,0|2,0,1]=4 1641 B10R0.71 CCOCSCCCCCO 62a_100000746330_100000739092 [1,0,0,0,0,0|2,0,1]=4 1642 B10R0.71 CCOCSCCCCOC 62a_100000730899_100000739092 [1,0,0,0,0,0|2,0,1]=4 1643 B10R0.71 CCOCSCCCCOC 62a_100000739092_100000730899 [1,0,0,0,0,0|2,0,1]=4 1644 B10R0.71 CCSCCCCCCCO 62a_100000210202_100000760002 [1,0,0,0,0,0|1,1,1]=4 1645 B10R0.71 CCSCCCCCCCO 62a_100000760002_100000210202 [1,0,0,0,0,0|1,1,1]=4 1646 B10R0.71 CCSCCCCCCOC 62a_100000210202_100011998445 [1,0,0,0,0,0|1,1,1]=4 1647 B10R0.71 CCSCCCCCCOC 62a_100011998445_100000210202 [1,0,0,0,0,0|1,1,1]=4 1648 B10R0.71 COCCCCCCOCF 34a_200012092642_100015361967 [1,0,0,0,0,0|2,0,1]=4 1649 B10R0.71 COCCCCCCOCF 7a_200012092642_100015361967 [1,0,0,0,0,0|2,0,1]=4 1650 B10R0.71 FCOCCCCCCCBr 34a_100000760002_100015361967 [1,0,0,0,0,0|2,0,1]=4 1651 B10R0.71 FCOCCCCCCCBr 7a_100000760002_100015361967 [1,0,0,0,0,0|2,0,1]=4 1652 B10R0.71 NCCCCCCCOCF 34a_100011996573_100015361967 [1,0,0,0,0,0|2,0,1]=4 1653 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [1,0,0,0,0,0|0,0,2]=3 1654 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [1,0,0,0,0,0|1,0,2]=4 1655 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [1,0,0,0,0,0|1,0,2]=4 1656 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [1,0,0,0,0,0|1,0,2]=4 1657 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [1,0,0,0,0,0|0,0,2]=3 1658 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [1,0,0,0,0,0|0,0,2]=3 1659 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [1,0,0,0,0,0|1,0,2]=4 1660 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [1,0,0,0,0,0|1,0,2]=4 1661 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [1,0,0,0,0,0|1,0,2]=4 1662 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [1,0,0,0,0,0|1,0,2]=4 1663 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [1,0,0,0,0,0|1,0,2]=4 1664 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [1,0,0,0,0,0|1,0,2]=4 1665 B10R0.74 C#CCCCCNC(=O)CC 11a_100000706060_100000210414 [1,0,0,0,0,0|1,0,2]=4 1666 B10R0.74 C#CCCCCNC(=O)CC 1626a_100000706060_100000210414 [1,0,0,0,0,0|1,0,2]=4 1667 B10R0.74 C#CCCCCNC(=O)CC 240690a_100000706060_100000210414 [1,0,0,0,0,0|1,0,2]=4 1668 B10R0.74 C#CCCCCNC(=O)CC 527a_100000706060_100000210414 [1,0,0,0,0,0|1,0,2]=4 1669 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [1,0,0,0,0,0|1,0,2]=4 1670 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [1,0,0,0,0,0|1,0,2]=4 1671 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [1,0,0,0,0,0|1,0,2]=4 1672 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [1,0,0,0,0,0|1,0,2]=4 1673 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [1,0,0,0,0,0|1,0,2]=4 1674 B10R0.74 C#CCCCSCC(=O)CC 62a_100000747405_100011215417 [1,0,0,0,0,0|1,0,2]=4 1675 B10R0.74 C#CCCCSCC(=O)CC 62a_100011215417_100000747405 [1,0,0,0,0,0|1,0,2]=4 1676 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [1,0,0,0,0,0|1,0,2]=4 1677 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [1,0,0,0,0,0|1,0,2]=4 1678 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [1,0,0,0,0,0|1,0,2]=4 1679 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [1,0,0,0,0,0|1,0,2]=4 1680 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [1,0,0,0,0,0|1,0,2]=4 1681 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [1,0,0,0,0,0|1,0,2]=4 1682 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [1,0,0,0,0,0|1,0,2]=4 1683 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [1,0,0,0,0,0|1,0,2]=4 1684 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [1,0,0,0,0,0|1,0,2]=4 1685 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [1,0,0,0,0,0|1,0,2]=4 1686 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [1,0,0,0,0,0|1,0,2]=4 1687 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [1,0,0,0,0,0|1,0,2]=4 1688 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [1,0,0,0,0,0|1,0,2]=4 1689 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [1,0,0,0,0,0|0,0,2]=3 1690 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [1,0,0,0,0,0|1,0,2]=4 1691 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [1,0,0,0,0,0|1,0,2]=4 1692 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [1,0,0,0,0,0|1,0,2]=4 1693 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [1,0,0,0,0,0|1,0,2]=4 1694 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [1,0,0,0,0,0|1,0,2]=4 1695 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [1,0,0,0,0,0|0,0,2]=3 1696 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [1,0,0,0,0,0|0,0,2]=3 1697 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [1,0,0,0,0,0|1,0,2]=4 1698 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [1,0,0,0,0,0|1,0,2]=4 1699 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [1,0,0,0,0,0|1,0,2]=4 1700 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [1,0,0,0,0,0|1,0,2]=4 1701 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [1,0,0,0,0,0|1,0,2]=4 1702 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [1,0,0,0,0,0|1,0,2]=4 1703 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [1,0,0,0,0,0|1,0,2]=4 1704 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [1,0,0,0,0,0|1,0,2]=4 1705 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [1,0,0,0,0,0|1,0,2]=4 1706 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [1,0,0,0,0,0|1,0,2]=4 1707 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [1,0,0,0,0,0|1,0,2]=4 1708 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [1,0,0,0,0,0|1,0,2]=4 1709 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [1,0,0,0,0,0|1,0,2]=4 1710 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [1,0,0,0,0,0|1,0,2]=4 1711 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [1,0,0,0,0,0|1,0,2]=4 1712 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [1,0,0,0,0,0|1,0,2]=4 1713 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [1,0,0,0,0,0|1,0,2]=4 1714 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [1,0,0,0,0,0|1,0,2]=4 1715 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [1,0,0,0,0,0|1,0,2]=4 1716 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [1,0,0,0,0,0|1,0,2]=4 1717 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [1,0,0,0,0,0|1,0,2]=4 1718 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [1,0,0,0,0,0|1,0,2]=4 1719 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [1,0,0,0,0,0|1,0,2]=4 1720 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [1,0,0,0,0,0|1,0,2]=4 1721 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [1,0,0,0,0,0|1,0,2]=4 1722 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [1,0,0,0,0,0|1,0,2]=4 1723 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [1,0,0,0,0,0|1,0,2]=4 1724 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [1,0,0,0,0,0|1,0,2]=4 1725 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [1,0,0,0,0,0|1,0,2]=4 1726 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [1,0,0,0,0,0|1,0,2]=4 1727 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [1,0,0,0,0,0|1,0,2]=4 1728 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [1,0,0,0,0,0|1,0,2]=4 1729 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [1,0,0,0,0,0|1,0,2]=4 1730 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [1,0,0,0,0,0|1,0,2]=4 1731 B10R0.74 CC/C=C\COCC(=O)CC 34a_100000725409_100103147603 [1,0,0,0,0,0|1,0,2]=4 1732 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [1,0,0,0,0,0|1,0,2]=4 1733 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100000747405_100103147603 [1,0,0,0,0,0|1,0,2]=4 1734 B10R0.74 CC/C=C\CSCC(=O)CC 62a_100103147603_100000747405 [1,0,0,0,0,0|1,0,2]=4 1735 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [1,0,0,0,0,0|1,0,2]=4 1736 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [1,0,0,0,0,0|1,0,2]=4 1737 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [1,0,0,0,0,0|1,0,2]=4 1738 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [1,0,0,0,0,0|1,0,2]=4 1739 B10R0.74 CCC#CCOCC(=O)CC 34a_100000725409_100009813939 [1,0,0,0,0,0|1,0,2]=4 1740 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [1,0,0,0,0,0|1,0,2]=4 1741 B10R0.74 CCC#CCSCC(=O)CC 62a_100000747405_100009813939 [1,0,0,0,0,0|1,0,2]=4 1742 B10R0.74 CCC#CCSCC(=O)CC 62a_100009813939_100000747405 [1,0,0,0,0,0|1,0,2]=4 1743 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [1,0,0,0,0,0|1,0,2]=4 1744 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [1,0,0,0,0,0|1,0,2]=4 1745 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [1,0,0,0,0,0|1,0,1]=3 1746 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [1,0,0,0,0,0|1,0,0]=2 1747 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [1,0,0,0,0,0|1,0,0]=2 1748 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [1,0,0,0,0,0|1,0,0]=2 1749 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [1,0,0,0,0,0|1,0,0]=2 1750 B10R0.74 CCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210202 [1,0,0,0,0,0|3,0,0]=4 1751 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [1,0,0,0,0,0|2,0,0]=3 1752 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [1,0,0,0,0,0|2,0,0]=3 1753 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [1,0,0,0,0,0|2,0,0]=3 1754 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [1,0,0,0,0,0|2,0,0]=3 1755 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [1,0,0,0,0,0|2,0,0]=3 1756 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [1,0,0,0,0,0|2,0,0]=3 1757 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [1,0,0,0,0,0|2,0,0]=3 1758 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [1,0,0,0,0,0|2,0,0]=3 1759 B10R0.74 CCC(=O)CSCCCC#N 62a_100000687738_100000747405 [1,0,0,0,0,0|2,0,1]=4 1760 B10R0.74 CCC(=O)CSCCCC#N 62a_100000747405_100000687738 [1,0,0,0,0,0|2,0,1]=4 1761 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [1,0,0,0,0,0|2,0,1]=4 1762 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [1,0,0,0,0,0|2,0,1]=4 1763 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [1,0,0,0,0,0|2,0,0]=3 1764 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [1,0,0,0,0,0|2,0,0]=3 1765 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [1,0,0,0,0,0|2,0,0]=3 1766 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [1,0,0,0,0,0|2,0,0]=3 1767 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [1,0,0,0,0,0|2,0,0]=3 1768 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [1,0,0,0,0,0|2,0,0]=3 1769 B10R0.74 CCC(=O)NCCCCC#N 11a_100000751965_100000210414 [1,0,0,0,0,0|2,0,1]=4 1770 B10R0.74 CCC(=O)NCCCCC#N 1626a_100000751965_100000210414 [1,0,0,0,0,0|2,0,1]=4 1771 B10R0.74 CCC(=O)NCCCCC#N 240690a_100000751965_100000210414 [1,0,0,0,0,0|2,0,1]=4 1772 B10R0.74 CCC(=O)NCCCCC#N 527a_100000751965_100000210414 [1,0,0,0,0,0|2,0,1]=4 1773 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [1,0,0,0,0,0|2,0,0]=3 1774 B10R0.74 CCC(=O)NCCNCCF 34a_100132302217_100011217306 [1,0,0,0,0,0|3,0,0]=4 1775 B10R0.74 CCC(=O)NCCNCCO 34a_100132302217_100000211926 [1,0,0,0,0,0|3,0,0]=4 1776 B10R0.74 CCC(=O)NCCNCSC 34a_100132302217_100011218213 [1,0,0,0,0,0|3,0,0]=4 1777 B10R0.74 CCC(=O)NCCOCCF 34a_200000158885_100011217306 [1,0,0,0,0,0|3,0,0]=4 1778 B10R0.74 CCC(=O)NCCOCCF 7a_200000158885_100011217306 [1,0,0,0,0,0|3,0,0]=4 1779 B10R0.74 CCC(=O)NCCOCCO 240690a_100000211614_100000210414 [1,0,0,0,0,0|3,0,0]=4 1780 B10R0.74 CCC(=O)NCCOCCO 34a_200000158885_100000211926 [1,0,0,0,0,0|3,0,0]=4 1781 B10R0.74 CCC(=O)NCCOCCO 7a_200000158885_100000211926 [1,0,0,0,0,0|3,0,0]=4 1782 B10R0.74 CCC(=O)NCCOCSC 34a_200000158885_100011218213 [1,0,0,0,0,0|3,0,0]=4 1783 B10R0.74 CCC(=O)NCCSCCO 240690a_100011219999_100000210414 [1,0,0,0,0,0|3,0,0]=4 1784 B10R0.74 CCC(=O)NCCSCCO 527a_100011219999_100000210414 [1,0,0,0,0,0|3,0,0]=4 1785 B10R0.74 CCC(=O)NNCCCOC 22a_100025702787_100000210414 [1,0,0,0,0,0|3,0,0]=4 1786 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [1,0,0,0,0,0|3,0,0]=4 1787 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [1,0,0,0,0,0|3,0,0]=4 1788 B10R0.74 CCC(C)CCCCCOC 7a_200000035636_200000210301 [1,0,0,0,0,0|2,0,1]=4 1789 B10R0.74 CCC(C)CCCCCO[13CH3] 7a_200000035636_200025704644 [1,0,0,0,0,0|2,0,1]=4 1790 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [1,0,0,0,0,0|0,0,2]=3 1791 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [1,0,0,0,0,0|1,0,2]=4 1792 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [1,0,0,0,0,0|1,0,2]=4 1793 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 1794 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 1795 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [1,0,0,0,0,0|1,0,2]=4 1796 B10R0.74 CCCCC=NNC(=O)CC 4a_100000183195_100000210104 [1,0,0,0,0,0|2,0,1]=4 1797 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [1,0,0,0,0,0|0,0,2]=3 1798 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [1,0,0,0,0,0|1,0,2]=4 1799 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [1,0,0,0,0,0|1,0,2]=4 1800 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,0,0,0,0,0|0,0,2]=3 1801 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [1,0,0,0,0,0|1,0,2]=4 1802 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [1,0,0,0,0,0|1,0,2]=4 1803 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [1,0,0,0,0,0|1,0,2]=4 1804 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [1,0,0,0,0,0|1,0,2]=4 1805 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [1,0,0,0,0,0|0,0,0]=1 1806 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [1,0,0,0,0,0|0,0,0]=1 1807 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [1,0,0,0,0,0|1,0,0]=2 1808 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [1,0,0,0,0,0|1,0,0]=2 1809 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [1,0,0,0,0,0|1,0,0]=2 1810 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [1,0,0,0,0,0|1,0,0]=2 1811 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [1,0,0,0,0,0|1,0,0]=2 1812 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [1,0,0,0,0,0|1,0,0]=2 1813 B10R0.74 CCCCCCCC(C)NC 2230a_106832991635_200011218727 [1,0,0,0,0,0|2,0,1]=4 1814 B10R0.74 CCCCCCCC(C)NC 270004a_106832991635_100000210596 [1,0,0,0,0,0|2,0,1]=4 1815 B10R0.74 CCCCCCCC(C)NC 34a_100102657272_200011218727 [1,0,0,0,0,0|2,0,1]=4 1816 B10R0.74 CCCCCCCC(C)NC 7a_106832991635_200011218727 [1,0,0,0,0,0|2,0,1]=4 1817 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [1,0,0,0,0,0|1,0,1]=3 1818 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [1,0,0,0,0,0|1,0,1]=3 1819 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [1,0,0,0,0,0|1,0,1]=3 1820 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [1,0,0,0,0,0|1,0,1]=3 1821 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [1,0,0,0,0,0|1,0,1]=3 1822 B10R0.74 CCCCCCCC(C)SC 62a_200000210301_200011218727 [1,0,0,0,0,0|1,1,1]=4 1823 B10R0.74 CCCCCCCC(C)SC 62a_200011218727_200000210301 [1,0,0,0,0,0|1,1,1]=4 1824 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200011218727_200025704644 [1,0,0,0,0,0|1,1,1]=4 1825 B10R0.74 CCCCCCCC(C)S[13CH3] 62a_200025704644_200011218727 [1,0,0,0,0,0|1,1,1]=4 1826 B10R0.74 CCCCCCCN(C)CC 2230a_100000225621_100000210681 [1,0,0,0,0,0|2,0,0]=3 1827 B10R0.74 CCCCCCCN(C)CC 2230a_100000228206_100000210202 [1,0,0,0,0,0|2,0,0]=3 1828 B10R0.74 CCCCCCCN(C)CC 2230a_100000228213_200000210301 [1,0,0,0,0,0|2,0,0]=3 1829 B10R0.74 CCCCCCCN(C)CC 269982a_100000225621_100000210681 [1,0,0,0,0,0|2,0,0]=3 1830 B10R0.74 CCCCCCCN(C)CC 269982a_100000228206_100000204670 [1,0,0,0,0,0|2,0,0]=3 1831 B10R0.74 CCCCCCCN(C)CC 269982a_100000228213_200000210301 [1,0,0,0,0,0|2,0,0]=3 1832 B10R0.74 CCCCCCCN(C)CF 269982a_100000228206_100015361967 [1,0,0,0,0,0|3,0,0]=4 1833 B10R0.74 CCCCCCCN([13CH3])CC 2230a_100000228213_200025704644 [1,0,0,0,0,0|2,0,0]=3 1834 B10R0.74 CCCCCCCN([13CH3])CC 269982a_100000228213_200025704644 [1,0,0,0,0,0|2,0,0]=3 1835 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [1,0,0,0,0,0|1,0,0]=2 1836 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [1,0,0,0,0,0|1,0,0]=2 1837 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [1,0,0,0,0,0|1,0,0]=2 1838 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [1,0,0,0,0,0|1,0,0]=2 1839 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [1,0,0,0,0,0|2,0,0]=3 1840 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [1,0,0,0,0,0|2,0,0]=3 1841 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [1,0,0,0,0,0|2,0,0]=3 1842 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [1,0,0,0,0,0|2,0,0]=3 1843 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [1,0,0,0,0,0|2,0,0]=3 1844 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [1,0,0,0,0,0|2,0,0]=3 1845 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [1,0,0,0,0,0|2,0,0]=3 1846 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [1,0,0,0,0,0|2,0,0]=3 1847 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [1,0,0,0,0,0|2,0,1]=4 1848 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [1,0,0,0,0,0|2,0,1]=4 1849 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,0,0,0,0,0|2,0,1]=4 1850 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,0,0,0,0,0|2,0,1]=4 1851 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,0,0,0,0,0|2,0,1]=4 1852 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [1,0,0,0,0,0|2,0,1]=4 1853 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [1,0,0,0,0,0|2,0,1]=4 1854 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [1,0,0,0,0,0|2,0,1]=4 1855 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [1,0,0,0,0,0|2,0,1]=4 1856 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [1,0,0,0,0,0|2,0,0]=3 1857 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [1,0,0,0,0,0|2,0,0]=3 1858 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [1,0,0,0,0,0|1,0,0]=2 1859 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [1,0,0,0,0,0|2,0,1]=4 1860 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [1,0,0,0,0,0|2,0,1]=4 1861 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [1,0,0,0,0,0|2,0,1]=4 1862 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [1,0,0,0,0,0|1,0,2]=4 1863 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [1,0,0,0,0,0|1,0,2]=4 1864 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [1,0,0,0,0,0|2,0,1]=4 1865 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [1,0,0,0,0,0|2,0,1]=4 1866 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [1,0,0,0,0,0|2,0,0]=3 1867 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [1,0,0,0,0,0|3,0,0]=4 1868 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [1,0,0,0,0,0|3,0,0]=4 1869 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [1,0,0,0,0,0|3,0,0]=4 1870 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [1,0,0,0,0,0|3,0,0]=4 1871 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [1,0,0,0,0,0|1,0,0]=2 1872 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [1,0,0,0,0,0|1,0,0]=2 1873 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [1,0,0,0,0,0|2,0,0]=3 1874 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [1,0,0,0,0,0|2,0,0]=3 1875 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [1,0,0,0,0,0|2,0,0]=3 1876 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [1,0,0,0,0,0|1,0,0]=2 1877 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [1,0,0,0,0,0|1,0,0]=2 1878 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [1,0,0,0,0,0|2,0,1]=4 1879 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [1,0,0,0,0,0|2,0,1]=4 1880 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [1,0,0,0,0,0|2,0,1]=4 1881 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [1,0,0,0,0,0|1,0,2]=4 1882 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [1,0,0,0,0,0|1,0,2]=4 1883 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [1,0,0,0,0,0|2,0,1]=4 1884 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [1,0,0,0,0,0|2,0,1]=4 1885 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [1,0,0,0,0,0|2,0,1]=4 1886 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [1,0,0,0,0,0|1,0,0]=2 1887 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [1,0,0,0,0,0|1,0,0]=2 1888 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [1,0,0,0,0,0|2,0,0]=3 1889 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [1,0,0,0,0,0|2,0,0]=3 1890 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [1,0,0,0,0,0|1,0,0]=2 1891 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [1,0,0,0,0,0|1,0,0]=2 1892 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [1,0,0,0,0,0|2,0,1]=4 1893 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [1,0,0,0,0,0|2,0,1]=4 1894 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [1,0,0,0,0,0|1,0,2]=4 1895 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [1,0,0,0,0,0|1,0,2]=4 1896 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [1,0,0,0,0,0|2,0,1]=4 1897 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [1,0,0,0,0,0|2,0,1]=4 1898 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [1,0,0,0,0,0|2,0,0]=3 1899 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [1,0,0,0,0,0|2,0,0]=3 1900 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [1,0,0,0,0,0|2,0,0]=3 1901 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [1,0,0,0,0,0|2,0,0]=3 1902 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [1,0,0,0,0,0|1,0,0]=2 1903 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [1,0,0,0,0,0|1,0,0]=2 1904 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [1,0,0,0,0,0|2,0,1]=4 1905 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [1,0,0,0,0,0|2,0,1]=4 1906 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [1,0,0,0,0,0|1,0,0]=2 1907 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [1,0,0,0,0,0|2,0,0]=3 1908 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [1,0,0,0,0,0|2,0,0]=3 1909 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [1,0,0,0,0,0|2,0,0]=3 1910 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [1,0,0,0,0,0|2,0,0]=3 1911 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [1,0,0,0,0,0|1,0,0]=2 1912 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [1,0,0,0,0,0|1,0,0]=2 1913 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [1,0,0,0,0,0|2,0,1]=4 1914 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [1,0,0,0,0,0|2,0,1]=4 1915 B10R0.74 CCCCOCCN(C)CC 2230a_100000225621_100000743108 [1,0,0,0,0,0|3,0,0]=4 1916 B10R0.74 CCCCOCCN(C)CC 269982a_100000225621_100000743108 [1,0,0,0,0,0|3,0,0]=4 1917 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [1,0,0,0,0,0|2,0,0]=3 1918 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [1,0,0,0,0,0|2,0,0]=3 1919 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [1,0,0,0,0,0|1,0,0]=2 1920 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [1,0,0,0,0,0|1,0,0]=2 1921 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [1,0,0,0,0,0|2,0,0]=3 1922 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [1,0,0,0,0,0|2,0,0]=3 1923 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [1,0,0,0,0,0|2,0,0]=3 1924 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [1,0,0,0,0,0|2,0,0]=3 1925 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [1,0,0,0,0,0|3,0,0]=4 1926 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [1,0,0,0,0,0|2,0,1]=4 1927 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [1,0,0,0,0,0|1,0,2]=4 1928 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [1,0,0,0,0,0|2,0,0]=3 1929 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [1,0,0,0,0,0|3,0,0]=4 1930 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [1,0,0,0,0,0|1,0,0]=2 1931 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [1,0,0,0,0,0|2,0,1]=4 1932 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [1,0,0,0,0,0|2,0,0]=3 1933 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [1,0,0,0,0,0|2,0,0]=3 1934 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [1,0,0,0,0,0|2,0,0]=3 1935 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [1,0,0,0,0,0|2,0,0]=3 1936 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [1,0,0,0,0,0|2,0,0]=3 1937 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [1,0,0,0,0,0|3,0,0]=4 1938 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [1,0,0,0,0,0|3,0,0]=4 1939 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [1,0,0,0,0,0|3,0,0]=4 1940 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [1,0,0,0,0,0|3,0,0]=4 1941 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [1,0,0,0,0,0|3,0,0]=4 1942 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [1,0,0,0,0,0|3,0,0]=4 1943 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [1,0,0,0,0,0|3,0,0]=4 1944 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [1,0,0,0,0,0|3,0,0]=4 1945 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [1,0,0,0,0,0|2,0,0]=3 1946 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [1,0,0,0,0,0|2,0,0]=3 1947 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [1,0,0,0,0,0|3,0,0]=4 1948 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [1,0,0,0,0,0|2,0,0]=3 1949 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [1,0,0,0,0,0|1,0,2]=4 1950 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [1,0,0,0,0,0|1,0,2]=4 1951 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [1,0,0,0,0,0|2,0,0]=3 1952 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [1,0,0,0,0,0|2,0,0]=3 1953 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [1,0,0,0,0,0|1,0,0]=2 1954 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [1,0,0,0,0,0|1,0,0]=2 1955 B10R0.74 CCCSCCCN(C)CC 62a_100000210303_100015186262 [1,0,0,0,0,0|3,0,0]=4 1956 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [1,0,0,0,0,0|2,0,0]=3 1957 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [1,0,0,0,0,0|2,0,0]=3 1958 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [1,0,0,0,0,0|2,0,0]=3 1959 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [1,0,0,0,0,0|3,0,0]=4 1960 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [1,0,0,0,0,0|3,0,0]=4 1961 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [1,0,0,0,0,0|3,0,0]=4 1962 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [1,0,0,0,0,0|3,0,0]=4 1963 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [1,0,0,0,0,0|3,0,0]=4 1964 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [1,0,0,0,0,0|3,0,0]=4 1965 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [1,0,0,0,0,0|3,0,0]=4 1966 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [1,0,0,0,0,0|3,0,0]=4 1967 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [1,0,0,0,0,0|3,0,0]=4 1968 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [1,0,0,0,0,0|3,0,0]=4 1969 B10R0.74 CCN(C)CCCCCCF 2230a_100000225621_100015922095 [1,0,0,0,0,0|3,0,0]=4 1970 B10R0.74 CCN(C)CCCCCCF 269982a_100000225621_100015922095 [1,0,0,0,0,0|3,0,0]=4 1971 B10R0.74 CCN(C)CCCCCCO 2230a_100000225621_100000766143 [1,0,0,0,0,0|3,0,0]=4 1972 B10R0.74 CCN(C)CCCCCCO 269982a_100000225621_100000766143 [1,0,0,0,0,0|3,0,0]=4 1973 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [1,0,0,0,0,0|1,0,0]=2 1974 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [1,0,0,0,0,0|2,0,0]=3 1975 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [1,0,0,0,0,0|2,0,1]=4 1976 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [1,0,0,0,0,0|1,0,0]=2 1977 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [1,0,0,0,0,0|1,0,0]=2 1978 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [1,0,0,0,0,0|1,0,0]=2 1979 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [1,0,0,0,0,0|2,0,0]=3 1980 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [1,0,0,0,0,0|2,0,0]=3 1981 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [1,0,0,0,0,0|2,0,0]=3 1982 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [1,0,0,0,0,0|2,0,0]=3 1983 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [1,0,0,0,0,0|3,0,0]=4 1984 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [1,0,0,0,0,0|3,0,0]=4 1985 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [1,0,0,0,0,0|3,0,0]=4 1986 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [1,0,0,0,0,0|3,0,0]=4 1987 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [1,0,0,0,0,0|3,0,0]=4 1988 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [1,0,0,0,0,0|3,0,0]=4 1989 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [1,0,0,0,0,0|3,0,0]=4 1990 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [1,0,0,0,0,0|3,0,0]=4 1991 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [1,0,0,0,0,0|3,0,0]=4 1992 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [1,0,0,0,0,0|3,0,0]=4 1993 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [1,0,0,0,0,0|3,0,0]=4 1994 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [1,0,0,0,0,0|2,0,0]=3 1995 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [1,0,0,0,0,0|2,0,0]=3 1996 B10R0.74 CCOCCNNC(=O)CC 22a_100000732670_100000210414 [1,0,0,0,0,0|3,0,0]=4 1997 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [1,0,0,0,0,0|2,0,0]=3 1998 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [1,0,0,0,0,0|2,0,0]=3 1999 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [1,0,0,0,0,0|3,0,0]=4 2000 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [1,0,0,0,0,0|3,0,0]=4 2001 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [1,0,0,0,0,0|3,0,0]=4 2002 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [1,0,0,0,0,0|2,0,0]=3 2003 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [1,0,0,0,0,0|2,0,0]=3 2004 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [1,0,0,0,0,0|2,0,0]=3 2005 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [1,0,0,0,0,0|2,0,0]=3 2006 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [1,0,0,0,0,0|2,0,0]=3 2007 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [1,0,0,0,0,0|3,0,0]=4 2008 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [1,0,0,0,0,0|3,0,0]=4 2009 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [1,0,0,0,0,0|2,0,0]=3 2010 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [1,0,0,0,0,0|2,0,0]=3 2011 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [1,0,0,0,0,0|3,0,0]=4 2012 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [1,0,0,0,0,0|3,0,0]=4 2013 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [1,0,0,0,0,0|2,0,0]=3 2014 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [1,0,0,0,0,0|2,0,0]=3 2015 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [1,0,0,0,0,0|3,0,0]=4 2016 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [1,0,0,0,0,0|1,0,0]=2 2017 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [1,0,0,0,0,0|1,0,0]=2 2018 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [1,0,0,0,0,0|3,0,0]=4 2019 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [1,0,0,0,0,0|3,0,0]=4 2020 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [1,0,0,0,0,0|2,0,0]=3 2021 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [1,0,0,0,0,0|2,0,0]=3 2022 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [1,0,0,0,0,0|2,0,0]=3 2023 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [1,0,0,0,0,0|3,0,0]=4 2024 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [1,0,0,0,0,0|3,0,0]=4 2025 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [1,0,0,0,0,0|3,0,0]=4 2026 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [1,0,0,0,0,0|2,0,0]=3 2027 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [1,0,0,0,0,0|2,0,0]=3 2028 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [1,0,0,0,0,0|2,0,0]=3 2029 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [1,0,0,0,0,0|2,0,0]=3 2030 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [1,0,0,0,0,0|2,0,0]=3 2031 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [1,0,0,0,0,0|2,0,0]=3 2032 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [1,0,0,0,0,0|3,0,0]=4 2033 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [1,0,0,0,0,0|3,0,0]=4 2034 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [1,0,0,0,0,0|2,0,0]=3 2035 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [1,0,0,0,0,0|2,0,0]=3 2036 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [1,0,0,0,0,0|2,0,0]=3 2037 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [1,0,0,0,0,0|2,0,0]=3 2038 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [1,0,0,0,0,0|2,0,0]=3 2039 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [1,0,0,0,0,0|2,0,0]=3 2040 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [1,0,0,0,0,0|2,0,0]=3 2041 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [1,0,0,0,0,0|3,0,0]=4 2042 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [1,0,0,0,0,0|3,0,0]=4 2043 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [1,0,0,0,0,0|3,0,0]=4 2044 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [1,0,0,0,0,0|3,0,0]=4 2045 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [1,0,0,0,0,0|3,0,0]=4 2046 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [1,0,0,0,0,0|3,0,0]=4 2047 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [1,0,0,0,0,0|3,0,0]=4 2048 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [1,0,0,0,0,0|3,0,0]=4 2049 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [1,0,0,0,0,0|3,0,0]=4 2050 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [1,0,0,0,0,0|3,0,0]=4 2051 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [1,0,0,0,0,0|3,0,0]=4 2052 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [1,0,0,0,0,0|3,0,0]=4 2053 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [1,0,0,0,0,0|3,0,0]=4 2054 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [1,0,0,0,0,0|3,0,0]=4 2055 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [1,0,0,0,0,0|3,0,0]=4 2056 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [1,0,0,0,0,0|3,0,0]=4 2057 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [1,0,0,0,0,0|3,0,0]=4 2058 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [1,0,0,0,0,0|3,0,0]=4 2059 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [1,0,0,0,0,0|3,0,0]=4 2060 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [1,0,0,0,0,0|3,0,0]=4 2061 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [1,0,0,0,0,0|3,0,0]=4 2062 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [1,0,0,0,0,0|3,0,0]=4 2063 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [1,0,0,0,0,0|3,0,0]=4 2064 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [1,0,0,0,0,0|3,0,0]=4 2065 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [1,0,0,0,0,0|3,0,0]=4 2066 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [1,0,0,0,0,0|3,0,0]=4 2067 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [1,0,0,0,0,0|3,0,0]=4 2068 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [1,0,0,0,0,0|3,0,0]=4 2069 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [1,0,0,0,0,0|3,0,0]=4 2070 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [1,0,0,0,0,0|3,0,0]=4 2071 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [1,0,0,0,0,0|3,0,0]=4 2072 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [1,0,0,0,0,0|3,0,0]=4 2073 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [1,0,0,0,0,0|3,0,0]=4 2074 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [1,0,0,0,0,0|3,0,0]=4 2075 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [1,0,0,0,0,0|3,0,0]=4 2076 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [1,0,0,0,0,0|3,0,0]=4 2077 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [1,0,0,0,0,0|3,0,0]=4 2078 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [1,0,0,0,0,0|3,0,0]=4 2079 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [1,0,0,0,0,0|3,0,0]=4 2080 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [1,0,0,0,0,0|3,0,0]=4 2081 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [1,0,0,0,0,0|3,0,0]=4 2082 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [1,0,0,0,0,0|3,0,0]=4 2083 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [1,0,0,0,0,0|3,0,0]=4 2084 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [1,0,0,0,0,0|3,0,0]=4 2085 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [1,0,0,0,0,0|3,0,0]=4 2086 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [1,0,0,0,0,0|3,0,0]=4 2087 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [1,0,0,0,0,0|3,0,0]=4 2088 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [1,0,0,0,0,0|3,0,0]=4 2089 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [1,0,0,0,0,0|3,0,0]=4 2090 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [1,0,0,0,0,0|3,0,0]=4 2091 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [1,0,0,0,0,0|3,0,0]=4 2092 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [1,0,0,0,0,0|3,0,0]=4 2093 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [1,0,0,0,0,0|3,0,0]=4 2094 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [1,0,0,0,0,0|3,0,0]=4 2095 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [1,0,0,0,0,0|3,0,0]=4 2096 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [1,0,0,0,0,0|3,0,0]=4 2097 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [1,0,0,0,0,0|3,0,0]=4 2098 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [1,0,0,0,0,0|3,0,0]=4 2099 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [1,0,0,0,0,0|3,0,0]=4 2100 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [1,0,0,0,0,0|3,0,0]=4 2101 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [1,0,0,0,0,0|3,0,0]=4 2102 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [1,0,0,0,0,0|3,0,0]=4 2103 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [1,0,0,0,0,0|3,0,0]=4 2104 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [1,0,0,0,0,0|3,0,0]=4 2105 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [1,0,0,0,0,0|3,0,0]=4 2106 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [1,0,0,0,0,0|3,0,0]=4 2107 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [1,0,0,0,0,0|3,0,0]=4 2108 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [1,0,0,0,0,0|3,0,0]=4 2109 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [1,0,0,0,0,0|3,0,0]=4 2110 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [1,0,0,0,0,0|3,0,0]=4 2111 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [1,0,0,0,0,0|3,0,0]=4 2112 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [1,0,0,0,0,0|3,0,0]=4 2113 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [1,0,0,0,0,0|3,0,0]=4 2114 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [1,0,0,0,0,0|3,0,0]=4 2115 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [1,0,0,0,0,0|3,0,0]=4 2116 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [1,0,0,0,0,0|3,0,0]=4 2117 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [1,0,0,0,0,0|3,0,0]=4 2118 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [1,0,0,0,0,0|3,0,0]=4 2119 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [1,0,0,0,0,0|3,0,0]=4 2120 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [1,0,0,0,0,0|3,0,0]=4 2121 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [1,0,0,0,0,0|3,0,0]=4 2122 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [1,0,0,0,0,0|3,0,0]=4 2123 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [1,0,0,0,0,0|3,0,0]=4 2124 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [1,0,0,0,0,0|3,0,0]=4 2125 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [1,0,0,0,0,0|3,0,0]=4 2126 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [1,0,0,0,0,0|3,0,0]=4 2127 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [1,0,0,0,0,0|1,0,0]=2 2128 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [1,0,0,0,0,0|1,0,0]=2 2129 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [1,0,0,0,0,0|1,0,0]=2 2130 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [1,0,0,0,0,0|3,0,0]=4 2131 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [1,0,0,0,0,0|2,0,0]=3 2132 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [1,0,0,0,0,0|1,0,0]=2 2133 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [1,0,0,0,0,0|1,0,0]=2 2134 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [1,0,0,0,0,0|1,0,0]=2 2135 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [1,0,0,0,0,0|1,0,0]=2 2136 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [1,0,0,0,0,0|1,0,0]=2 2137 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [1,0,0,0,0,0|1,0,0]=2 2138 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [1,0,0,0,0,0|2,0,0]=3 2139 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [1,0,0,0,0,0|2,0,0]=3 2140 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [1,0,0,0,0,0|2,0,0]=3 2141 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [1,0,0,0,0,0|2,0,0]=3 2142 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [1,0,0,0,0,0|2,0,0]=3 2143 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [1,0,0,0,0,0|2,0,0]=3 2144 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [1,0,0,0,0,0|2,0,0]=3 2145 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [1,0,0,0,0,0|2,0,0]=3 2146 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [1,0,0,0,0,0|2,0,0]=3 2147 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [1,0,0,0,0,0|2,0,1]=4 2148 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [1,0,0,0,0,0|2,0,1]=4 2149 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [1,0,0,0,0,0|2,0,1]=4 2150 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [1,0,0,0,0,0|2,0,1]=4 2151 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [1,0,0,0,0,0|2,0,0]=3 2152 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [1,0,0,0,0,0|2,0,0]=3 2153 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [1,0,0,0,0,0|2,0,0]=3 2154 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [1,0,0,0,0,0|2,0,0]=3 2155 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [1,0,0,0,0,0|2,0,0]=3 2156 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [1,0,0,0,0,0|2,0,0]=3 2157 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [1,0,0,0,0,0|2,0,0]=3 2158 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [1,0,0,0,0,0|2,0,0]=3 2159 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [1,0,0,0,0,0|2,0,0]=3 2160 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [1,0,0,0,0,0|2,0,0]=3 2161 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [1,0,0,0,0,0|2,0,0]=3 2162 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [1,0,0,0,0,0|2,0,0]=3 2163 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [1,0,0,0,0,0|2,0,0]=3 2164 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [1,0,0,0,0,0|3,0,0]=4 2165 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [1,0,0,0,0,0|2,0,0]=3 2166 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [1,0,0,0,0,0|2,0,0]=3 2167 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [1,0,0,0,0,0|2,0,1]=4 2168 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [1,0,0,0,0,0|2,0,1]=4 2169 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [1,0,0,0,0,0|2,0,0]=3 2170 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [1,0,0,0,0,0|2,0,0]=3 2171 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [1,0,0,0,0,0|2,0,0]=3 2172 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [1,0,0,0,0,0|2,0,0]=3 2173 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [1,0,0,0,0,0|2,0,0]=3 2174 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [1,0,0,0,0,0|2,0,0]=3 2175 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [1,0,0,0,0,0|2,0,0]=3 2176 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [1,0,0,0,0,0|2,0,0]=3 2177 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [1,0,0,0,0,0|2,0,0]=3 2178 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [1,0,0,0,0,0|2,0,0]=3 2179 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [1,0,0,0,0,0|2,0,0]=3 2180 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [1,0,0,0,0,0|2,0,0]=3 2181 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [1,0,0,0,0,0|2,0,0]=3 2182 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [1,0,0,0,0,0|2,0,0]=3 2183 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [1,0,0,0,0,0|2,0,0]=3 2184 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [1,0,0,0,0,0|2,0,0]=3 2185 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [1,0,0,0,0,0|2,0,0]=3 2186 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [1,0,0,0,0,0|2,0,0]=3 2187 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [1,0,0,0,0,0|3,0,0]=4 2188 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [1,0,0,0,0,0|3,0,0]=4 2189 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [1,0,0,0,0,0|2,0,1]=4 2190 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [1,0,0,0,0,0|2,0,1]=4 2191 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [1,0,0,0,0,0|2,0,1]=4 2192 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [1,0,0,0,0,0|2,0,1]=4 2193 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [1,0,0,0,0,0|2,0,0]=3 2194 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [1,0,0,0,0,0|2,0,0]=3 2195 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [1,0,0,0,0,0|2,0,0]=3 2196 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [1,0,0,0,0,0|2,0,0]=3 2197 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [1,0,0,0,0,0|3,0,0]=4 2198 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [1,0,0,0,0,0|3,0,0]=4 2199 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [1,0,0,0,0,0|3,0,0]=4 2200 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [1,0,0,0,0,0|3,0,0]=4 2201 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [1,0,0,0,0,0|3,0,0]=4 2202 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [1,0,0,0,0,0|3,0,0]=4 2203 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [1,0,0,0,0,0|3,0,0]=4 2204 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [1,0,0,0,0,0|3,0,0]=4 2205 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [1,0,0,0,0,0|3,0,0]=4 2206 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [1,0,0,0,0,0|2,0,0]=3 2207 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [1,0,0,0,0,0|1,0,0]=2 2208 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [1,0,0,0,0,0|1,0,0]=2 2209 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [1,0,0,0,0,0|1,0,0]=2 2210 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [1,0,0,0,0,0|2,0,0]=3 2211 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [1,0,0,0,0,0|2,0,0]=3 2212 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [1,0,0,0,0,0|2,0,0]=3 2213 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [1,0,0,0,0,0|2,0,0]=3 2214 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [1,0,0,0,0,0|2,0,0]=3 2215 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [1,0,0,0,0,0|3,0,0]=4 2216 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [1,0,0,0,0,0|3,0,0]=4 2217 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [1,0,0,0,0,0|2,0,0]=3 2218 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [1,0,0,0,0,0|2,0,0]=3 2219 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [1,0,0,0,0,0|2,0,0]=3 2220 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [1,0,0,0,0,0|3,0,0]=4 2221 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [1,0,0,0,0,0|2,0,0]=3 2222 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [1,0,0,0,0,0|2,0,0]=3 2223 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [1,0,0,0,0,0|2,0,1]=4 2224 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [1,0,0,0,0,0|2,0,0]=3 2225 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [1,0,0,0,0,0|2,0,0]=3 2226 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [1,0,0,0,0,0|2,0,0]=3 2227 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [1,0,0,0,0,0|3,0,0]=4 2228 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [0,1,0,0,0,0|1,0,2]=4 2229 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [0,1,0,0,0,0|1,0,2]=4 2230 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011219782_100000184674 [0,1,0,0,0,0|1,0,2]=4 2231 B12R0.1 C#CCC(=O)CCCCCCCO 1458a_100011220946_100000760002 [0,1,0,0,0,0|1,0,2]=4 2232 B12R0.1 C#CCC(=O)CCCCCCOC 1458a_100011220946_100011998445 [0,1,0,0,0,0|1,0,2]=4 2233 B12R0.1 C#CCC(=O)NCCCCCCC 1626a_100000229938_100011220946 [0,1,0,0,0,0|1,0,2]=4 2234 B12R0.1 C#CCC(=O)NCCCCCCC 527a_100000229938_100011220946 [0,1,0,0,0,0|1,0,2]=4 2235 B12R0.1 C#CCCCCCCC(=O)C#CC 1458a_100000763181_100012276617 [0,1,0,0,0,0|1,0,2]=4 2236 B12R0.1 C#CCCCCCCC(=O)C=CC 1458a_100000210699_100012276617 [0,1,0,0,0,0|1,0,2]=4 2237 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [0,1,0,0,0,0|1,0,1]=3 2238 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [0,1,0,0,0,0|1,0,1]=3 2239 B12R0.1 C#CCCCCCCC(=O)CCF 1458a_100000034748_100011217306 [0,1,0,0,0,0|2,0,1]=4 2240 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100000034748_100000211926 [0,1,0,0,0,0|2,0,1]=4 2241 B12R0.1 C#CCCCCCCC(=O)CCO 1458a_100011216618_100012276617 [0,1,0,0,0,0|2,0,1]=4 2242 B12R0.1 C#CCCCCCCC(=O)COC 1458a_100000210968_100012276617 [0,1,0,0,0,0|2,0,1]=4 2243 B12R0.1 C#CCCCCCCC(=O)CSC 1458a_100000184570_100012276617 [0,1,0,0,0,0|2,0,1]=4 2244 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [0,1,0,0,0,0|1,0,1]=3 2245 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [0,1,0,0,0,0|1,0,1]=3 2246 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [0,1,0,0,0,0|1,0,1]=3 2247 B12R0.1 C#CCCCCCCC(=O)NNC 22a_100016993582_100000034748 [0,1,0,0,0,0|2,0,1]=4 2248 B12R0.1 C#CCCCCNCC(=O)CCC 2230a_100000706060_100000747444 [0,1,0,0,0,0|1,0,2]=4 2249 B12R0.1 C#CCCCCNCC(=O)NCC 2230a_100000706060_100000183381 [0,1,0,0,0,0|1,0,2]=4 2250 B12R0.1 C#CCCCCNCC(=O)NCC 2230a_100016988866_100010269958 [0,1,0,0,0,0|1,0,2]=4 2251 B12R0.1 C#CCCCCNCC(=O)NCC 34a_100000706060_100000183381 [0,1,0,0,0,0|1,0,2]=4 2252 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [0,1,0,0,0,0|0,0,2]=3 2253 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [0,1,0,0,0,0|0,0,2]=3 2254 B12R0.1 C#CCCCCOCC(=O)CCC 7a_100000766709_100000747444 [0,1,0,0,0,0|1,0,2]=4 2255 B12R0.1 C#CCCCCOCC(=O)NCC 34a_100000766709_100000183381 [0,1,0,0,0,0|1,0,2]=4 2256 B12R0.1 C#CCCCCOCC(=O)NCC 7a_100000766709_100000183381 [0,1,0,0,0,0|1,0,2]=4 2257 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [0,1,0,0,0,0|0,0,2]=3 2258 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [0,1,0,0,0,0|0,0,2]=3 2259 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100000747444_100010269958 [0,1,0,0,0,0|1,0,2]=4 2260 B12R0.1 C#CCCCCSCC(=O)CCC 62a_100010269958_100000747444 [0,1,0,0,0,0|1,0,2]=4 2261 B12R0.1 C#CCCCCSCC(=O)NCC 62a_100000183381_100010269958 [0,1,0,0,0,0|1,0,2]=4 2262 B12R0.1 C#CCCCCSCC(=O)NCC 62a_100010269958_100000183381 [0,1,0,0,0,0|1,0,2]=4 2263 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [0,1,0,0,0,0|0,0,2]=3 2264 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [0,1,0,0,0,0|0,0,2]=3 2265 B12R0.1 C#CCCCNCCC(=O)NCC 34a_100025743525_100000695029 [0,1,0,0,0,0|1,0,2]=4 2266 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [0,1,0,0,0,0|0,0,2]=3 2267 B12R0.1 C#CCCCOCCC(=O)NCC 7a_100000215630_100000737597 [0,1,0,0,0,0|1,0,2]=4 2268 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [0,1,0,0,0,0|0,0,2]=3 2269 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [0,1,0,0,0,0|0,0,2]=3 2270 B12R0.1 C#CCCCSCCC(=O)NCC 62a_100000737597_100011215417 [0,1,0,0,0,0|1,0,2]=4 2271 B12R0.1 C#CCCCSCCC(=O)NCC 62a_100011215417_100000737597 [0,1,0,0,0,0|1,0,2]=4 2272 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [0,1,0,0,0,0|0,0,2]=3 2273 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [0,1,0,0,0,0|0,0,2]=3 2274 B12R0.1 C#CCCCSCOC(=O)OCC 62a_100011215417_100000075025 [0,1,0,0,0,0|1,0,2]=4 2275 B12R0.1 C#CCCNCCCC(=O)OCC 34a_100000755551_100009991533 [0,1,0,0,0,0|0,0,2]=3 2276 B12R0.1 C#CCCOCCCC(=O)OCC 34a_100011215631_100009991533 [0,1,0,0,0,0|0,0,2]=3 2277 B12R0.1 C#CCCOCCCC(=O)OCC 7a_100012001163_100000688953 [0,1,0,0,0,0|0,0,2]=3 2278 B12R0.1 C#CCCOCCNC(=O)OCC 34a_100000158857_100000688953 [0,1,0,0,0,0|1,0,2]=4 2279 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100000688953_100009991533 [0,1,0,0,0,0|0,0,2]=3 2280 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100009991533_100000688953 [0,1,0,0,0,0|0,0,2]=3 2281 B12R0.1 C#CCCSCCNC(=O)OCC 62a_100000688953_200011445536 [0,1,0,0,0,0|1,0,2]=4 2282 B12R0.1 C#CCNCCCCC(=O)OCC 34a_100000212058_100000750268 [0,1,0,0,0,0|0,0,2]=3 2283 B12R0.1 C#CCNCCOCC(=O)OCC 34a_100000212058_100000088970 [0,1,0,0,0,0|1,0,2]=4 2284 B12R0.1 C#CCOCCCCC(=O)OCC 34a_100000210247_100000750268 [0,1,0,0,0,0|0,0,2]=3 2285 B12R0.1 C#CCOCCNCC(=O)OCC 2230a_100000700922_100000188475 [0,1,0,0,0,0|1,0,2]=4 2286 B12R0.1 C#CCOCCNCC(=O)OCC 34a_100000700922_100000188475 [0,1,0,0,0,0|1,0,2]=4 2287 B12R0.1 C#CCOCCOCC(=O)OCC 34a_100000054580_100000188475 [0,1,0,0,0,0|1,0,2]=4 2288 B12R0.1 C#CCOCCOCC(=O)OCC 34a_100000210247_100000088970 [0,1,0,0,0,0|1,0,2]=4 2289 B12R0.1 C#CCOCCOCC(=O)OCC 7a_100000054580_100000188475 [0,1,0,0,0,0|1,0,2]=4 2290 B12R0.1 C#CCOCCSCC(=O)OCC 62a_100000188475_100010402529 [0,1,0,0,0,0|1,0,2]=4 2291 B12R0.1 C#CCOCCSCC(=O)OCC 62a_100010402529_100000188475 [0,1,0,0,0,0|1,0,2]=4 2292 B12R0.1 C#CCOCCSCC(=O)OCC 7a_200000230590_100000038162 [0,1,0,0,0,0|1,0,2]=4 2293 B12R0.1 C#CCSCCCCC(=O)OCC 62a_100000038162_100000750268 [0,1,0,0,0,0|0,0,2]=3 2294 B12R0.1 C#CCSCCOCC(=O)OCC 62a_100000038162_100000088970 [0,1,0,0,0,0|1,0,2]=4 2295 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [0,1,0,0,0,0|0,0,2]=3 2296 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [0,1,0,0,0,0|0,0,2]=3 2297 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [0,1,0,0,0,0|0,0,2]=3 2298 B12R0.1 C/C=C/COCCNC(=O)OCC 34a_100000158857_100102629194 [0,1,0,0,0,0|1,0,2]=4 2299 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100009991533_100102629194 [0,1,0,0,0,0|0,0,2]=3 2300 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100102629194_100009991533 [0,1,0,0,0,0|0,0,2]=3 2301 B12R0.1 C/C=C/CSCCNC(=O)OCC 62a_100102629194_200011445536 [0,1,0,0,0,0|1,0,2]=4 2302 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [0,1,0,0,0,0|1,0,2]=4 2303 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [0,1,0,0,0,0|1,0,2]=4 2304 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100000210193_100000760002 [0,1,0,0,0,0|1,0,2]=4 2305 B12R0.1 C=CCC(=O)CCCCCCCO 1458a_100011219782_100000210623 [0,1,0,0,0,0|1,0,2]=4 2306 B12R0.1 C=CCC(=O)CCCCCCOC 1458a_100000210193_100011998445 [0,1,0,0,0,0|1,0,2]=4 2307 B12R0.1 C=CCC(=O)NCCCCCCC 11a_100000229938_100000210193 [0,1,0,0,0,0|1,0,2]=4 2308 B12R0.1 C=CCC(=O)NCCCCCCC 1626a_100000229938_100000210193 [0,1,0,0,0,0|1,0,2]=4 2309 B12R0.1 C=CCC(=O)NCCCCCCC 240690a_100000229938_100000210193 [0,1,0,0,0,0|1,0,2]=4 2310 B12R0.1 C=CCC(=O)NCCCCCCC 527a_100000229938_100000210193 [0,1,0,0,0,0|1,0,2]=4 2311 B12R0.1 C=CCCCCCCC(=O)C#CC 1458a_100000763181_100011215473 [0,1,0,0,0,0|1,0,2]=4 2312 B12R0.1 C=CCCCCCCC(=O)C=CC 1458a_100000210699_100011215473 [0,1,0,0,0,0|1,0,2]=4 2313 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [0,1,0,0,0,0|1,0,1]=3 2314 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [0,1,0,0,0,0|1,0,1]=3 2315 B12R0.1 C=CCCCCCCC(=O)CCF 1458a_100011809334_100011217306 [0,1,0,0,0,0|2,0,1]=4 2316 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011216618_100011215473 [0,1,0,0,0,0|2,0,1]=4 2317 B12R0.1 C=CCCCCCCC(=O)CCO 1458a_100011809334_100000211926 [0,1,0,0,0,0|2,0,1]=4 2318 B12R0.1 C=CCCCCCCC(=O)COC 1458a_100000210968_100011215473 [0,1,0,0,0,0|2,0,1]=4 2319 B12R0.1 C=CCCCCCCC(=O)CSC 1458a_100000184570_100011215473 [0,1,0,0,0,0|2,0,1]=4 2320 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [0,1,0,0,0,0|1,0,1]=3 2321 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [0,1,0,0,0,0|1,0,1]=3 2322 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [0,1,0,0,0,0|1,0,1]=3 2323 B12R0.1 C=CCCCCCCC(=O)NNC 22a_100016993582_100011809334 [0,1,0,0,0,0|2,0,1]=4 2324 B12R0.1 C=CCCCCNCC(=O)CCC 2230a_100000703577_100000747444 [0,1,0,0,0,0|1,0,2]=4 2325 B12R0.1 C=CCCCCNCC(=O)NCC 2230a_100000703577_100000183381 [0,1,0,0,0,0|1,0,2]=4 2326 B12R0.1 C=CCCCCNCC(=O)NCC 2230a_100016988866_100011215482 [0,1,0,0,0,0|1,0,2]=4 2327 B12R0.1 C=CCCCCNCC(=O)NCC 34a_100000703577_100000183381 [0,1,0,0,0,0|1,0,2]=4 2328 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [0,1,0,0,0,0|0,0,2]=3 2329 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [0,1,0,0,0,0|0,0,2]=3 2330 B12R0.1 C=CCCCCOCC(=O)CCC 7a_100000766645_100000747444 [0,1,0,0,0,0|1,0,2]=4 2331 B12R0.1 C=CCCCCOCC(=O)NCC 34a_100000766645_100000183381 [0,1,0,0,0,0|1,0,2]=4 2332 B12R0.1 C=CCCCCOCC(=O)NCC 7a_100000766645_100000183381 [0,1,0,0,0,0|1,0,2]=4 2333 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [0,1,0,0,0,0|0,0,2]=3 2334 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [0,1,0,0,0,0|0,0,2]=3 2335 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100000747444_100011215482 [0,1,0,0,0,0|1,0,2]=4 2336 B12R0.1 C=CCCCCSCC(=O)CCC 62a_100011215482_100000747444 [0,1,0,0,0,0|1,0,2]=4 2337 B12R0.1 C=CCCCCSCC(=O)NCC 62a_100000183381_100011215482 [0,1,0,0,0,0|1,0,2]=4 2338 B12R0.1 C=CCCCCSCC(=O)NCC 62a_100011215482_100000183381 [0,1,0,0,0,0|1,0,2]=4 2339 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [0,1,0,0,0,0|0,0,2]=3 2340 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [0,1,0,0,0,0|0,0,2]=3 2341 B12R0.1 C=CCCCNCCC(=O)NCC 2230a_100000700776_100000737597 [0,1,0,0,0,0|1,0,2]=4 2342 B12R0.1 C=CCCCNCCC(=O)NCC 34a_100025743525_100000757094 [0,1,0,0,0,0|1,0,2]=4 2343 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [0,1,0,0,0,0|0,0,2]=3 2344 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [0,1,0,0,0,0|0,0,2]=3 2345 B12R0.1 C=CCCCOCCC(=O)NCC 7a_100000758997_100000737597 [0,1,0,0,0,0|1,0,2]=4 2346 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [0,1,0,0,0,0|0,0,2]=3 2347 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [0,1,0,0,0,0|0,0,2]=3 2348 B12R0.1 C=CCCCSCCC(=O)NCC 62a_100000737597_100000757094 [0,1,0,0,0,0|1,0,2]=4 2349 B12R0.1 C=CCCCSCCC(=O)NCC 62a_100011713584_100000737597 [0,1,0,0,0,0|1,0,2]=4 2350 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [0,1,0,0,0,0|0,0,2]=3 2351 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [0,1,0,0,0,0|0,0,2]=3 2352 B12R0.1 C=CCCCSCOC(=O)OCC 62a_100011713584_100000075025 [0,1,0,0,0,0|1,0,2]=4 2353 B12R0.1 C=CCCNCCCC(=O)OCC 2230a_100015191253_100009991533 [0,1,0,0,0,0|0,0,2]=3 2354 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [0,1,0,0,0,0|0,0,2]=3 2355 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [0,1,0,0,0,0|0,0,2]=3 2356 B12R0.1 C=CCCOCCNC(=O)OCC 34a_100000158857_100000754431 [0,1,0,0,0,0|1,0,2]=4 2357 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100000754431_100009991533 [0,1,0,0,0,0|0,0,2]=3 2358 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100009991533_100000754431 [0,1,0,0,0,0|0,0,2]=3 2359 B12R0.1 C=CCCSCCNC(=O)OCC 62a_100000754431_200011445536 [0,1,0,0,0,0|1,0,2]=4 2360 B12R0.1 C=CCNCCCCC(=O)OCC 2230a_100020586998_100000750268 [0,1,0,0,0,0|0,0,2]=3 2361 B12R0.1 C=CCNCCOCC(=O)OCC 2230a_100020586998_100000088970 [0,1,0,0,0,0|1,0,2]=4 2362 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [0,1,0,0,0,0|0,0,2]=3 2363 B12R0.1 C=CCOCCOCC(=O)OCC 34a_100000037705_100000188475 [0,1,0,0,0,0|1,0,2]=4 2364 B12R0.1 C=CCOCCOCC(=O)OCC 34a_200000210373_100000088970 [0,1,0,0,0,0|1,0,2]=4 2365 B12R0.1 C=CCOCCOCC(=O)OCC 7a_100000037705_100000188475 [0,1,0,0,0,0|1,0,2]=4 2366 B12R0.1 C=CCOCCSCC(=O)OCC 7a_200000230590_100015514636 [0,1,0,0,0,0|1,0,2]=4 2367 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000210623_100000750268 [0,1,0,0,0,0|0,0,2]=3 2368 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000750268_100000210623 [0,1,0,0,0,0|0,0,2]=3 2369 B12R0.1 C=CCSCCOCC(=O)OCC 62a_100000088970_100000210623 [0,1,0,0,0,0|1,0,2]=4 2370 B12R0.1 C=CCSCCOCC(=O)OCC 62a_100000210623_100000088970 [0,1,0,0,0,0|1,0,2]=4 2371 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [0,1,0,0,0,0|0,0,2]=3 2372 B12R0.1 C=COC(=O)CNCCCCCO 2230a_100000762737_100000036128 [0,1,0,0,0,0|1,0,2]=4 2373 B12R0.1 C=COC(=O)CNCCCCCO 34a_100000762737_100000036128 [0,1,0,0,0,0|1,0,2]=4 2374 B12R0.1 C=COC(=O)CNCCCOCC 2230a_100000210961_100000036128 [0,1,0,0,0,0|1,0,2]=4 2375 B12R0.1 C=COC(=O)CNCCCOCC 34a_100000210961_100000036128 [0,1,0,0,0,0|1,0,2]=4 2376 B12R0.1 C=COC(=O)CNCCOCCC 2230a_100161115042_100000036128 [0,1,0,0,0,0|1,0,2]=4 2377 B12R0.1 C=COC(=O)CNCCOCCC 34a_100161115042_100000036128 [0,1,0,0,0,0|1,0,2]=4 2378 B12R0.1 C=COC(=O)CNCCSCCC 2230a_100020603323_100000036128 [0,1,0,0,0,0|1,0,2]=4 2379 B12R0.1 C=COC(=O)COCCCCCBr 34a_100000746331_100000036128 [0,1,0,0,0,0|1,0,2]=4 2380 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [0,1,0,0,0,0|0,0,2]=3 2381 B12R0.1 C=COC(=O)COCCCCCCl 34a_100000746330_100000036128 [0,1,0,0,0,0|1,0,2]=4 2382 B12R0.1 C=COC(=O)COCCCCCI 34a_200012148887_100000036128 [0,1,0,0,0,0|1,0,2]=4 2383 B12R0.1 C=COC(=O)COCCCCCN 34a_100000762737_100000036128 [0,1,0,0,0,0|1,0,2]=4 2384 B12R0.1 C=COC(=O)COCCCCOC 34a_100000740925_100000036128 [0,1,0,0,0,0|1,0,2]=4 2385 B12R0.1 C=COC(=O)COCCCCSC 34a_100011217163_100000036128 [0,1,0,0,0,0|1,0,2]=4 2386 B12R0.1 C=COC(=O)COCCCOCC 34a_100000757476_100000036128 [0,1,0,0,0,0|1,0,2]=4 2387 B12R0.1 C=COC(=O)COCCCSCC 34a_100011216438_100000036128 [0,1,0,0,0,0|1,0,2]=4 2388 B12R0.1 C=COC(=O)COCCOCCC 34a_100000752267_100000036128 [0,1,0,0,0,0|1,0,2]=4 2389 B12R0.1 C=COC(=O)COCCSCCC 34a_200000230433_100000036128 [0,1,0,0,0,0|1,0,2]=4 2390 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [0,1,0,0,0,0|0,0,2]=3 2391 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [0,1,0,0,0,0|0,0,2]=3 2392 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000036128_100000729378 [0,1,0,0,0,0|1,0,2]=4 2393 B12R0.1 C=COC(=O)CSCCCCCF 62a_100000729378_100000036128 [0,1,0,0,0,0|1,0,2]=4 2394 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000036128_100000746330 [0,1,0,0,0,0|1,0,2]=4 2395 B12R0.1 C=COC(=O)CSCCCCCO 62a_100000746330_100000036128 [0,1,0,0,0,0|1,0,2]=4 2396 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000036128_100000730899 [0,1,0,0,0,0|1,0,2]=4 2397 B12R0.1 C=COC(=O)CSCCCCOC 62a_100000730899_100000036128 [0,1,0,0,0,0|1,0,2]=4 2398 B12R0.1 C=COC(=O)CSCCCOCC 62a_100000036128_100012232248 [0,1,0,0,0,0|1,0,2]=4 2399 B12R0.1 C=COC(=O)CSCCCOCC 62a_100012232248_100000036128 [0,1,0,0,0,0|1,0,2]=4 2400 B12R0.1 C=COC(=O)CSCCOCCC 62a_100000036128_100011215938 [0,1,0,0,0,0|1,0,2]=4 2401 B12R0.1 C=COC(=O)CSCCOCCC 62a_100011215938_100000036128 [0,1,0,0,0,0|1,0,2]=4 2402 B12R0.1 C=COC(=O)CSCOCCCC 62a_100000036128_100011995733 [0,1,0,0,0,0|1,0,2]=4 2403 B12R0.1 C=COC(=O)CSCOCCCC 62a_100011995733_100000036128 [0,1,0,0,0,0|1,0,2]=4 2404 B12R0.1 C=COCCCNCC(=O)OCC 2230a_100000210767_100000188475 [0,1,0,0,0,0|1,0,2]=4 2405 B12R0.1 C=COCCCNCC(=O)OCC 34a_100000210767_100000188475 [0,1,0,0,0,0|1,0,2]=4 2406 B12R0.1 C=COCCOCCC(=O)OCC 34a_100000033082_100000765890 [0,1,0,0,0,0|1,0,2]=4 2407 B12R0.1 C=COCCSCCC(=O)OCC 62a_100000039644_100000765890 [0,1,0,0,0,0|1,0,2]=4 2408 B12R0.1 C=COCCSCCC(=O)OCC 62a_100000765890_100000039644 [0,1,0,0,0,0|1,0,2]=4 2409 B12R0.1 CC#CC(=O)CC#CCCCCC 1458a_100000763181_100009816472 [0,1,0,0,0,0|1,0,2]=4 2410 B12R0.1 CC#CC(=O)CCCCCCC#N 1458a_100000763181_100009813337 [0,1,0,0,0,0|1,0,2]=4 2411 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [0,1,0,0,0,0|1,0,1]=3 2412 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [0,1,0,0,0,0|1,0,1]=3 2413 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [0,1,0,0,0,0|1,0,1]=3 2414 B12R0.1 CC#CC(=O)CCCOCCOC 1458a_100000763181_100011216529 [0,1,0,0,0,0|2,0,1]=4 2415 B12R0.1 CC#CC(=O)CCOCCOCC 1458a_100000763181_100011211534 [0,1,0,0,0,0|2,0,1]=4 2416 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [0,1,0,0,0,0|0,0,2]=3 2417 B12R0.1 CC#CCNCCCC(=O)OCC 2230a_100000685387_100009991533 [0,1,0,0,0,0|0,0,2]=3 2418 B12R0.1 CC#CCNCCCC(=O)OCC 34a_100000685387_100009991533 [0,1,0,0,0,0|0,0,2]=3 2419 B12R0.1 CC#CCOCCCC(=O)OCC 34a_100000761923_100009991533 [0,1,0,0,0,0|0,0,2]=3 2420 B12R0.1 CC#CCOCCCC(=O)OCC 7a_100012001163_100000748600 [0,1,0,0,0,0|0,0,2]=3 2421 B12R0.1 CC#CCOCCNC(=O)OCC 34a_100000158857_100000748600 [0,1,0,0,0,0|1,0,2]=4 2422 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100000748600_100009991533 [0,1,0,0,0,0|0,0,2]=3 2423 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100009991533_100000748600 [0,1,0,0,0,0|0,0,2]=3 2424 B12R0.1 CC#CCSCCNC(=O)OCC 62a_100000748600_200011445536 [0,1,0,0,0,0|1,0,2]=4 2425 B12R0.1 CC/C=C\CCNCC(=O)NCC 2230a_100016988866_100015370543 [0,1,0,0,0,0|1,0,2]=4 2426 B12R0.1 CC/C=C\CCOCC(=O)CCC 7a_100016288707_100000747444 [0,1,0,0,0,0|1,0,2]=4 2427 B12R0.1 CC/C=C\CCOCC(=O)NCC 34a_100016288707_100000183381 [0,1,0,0,0,0|1,0,2]=4 2428 B12R0.1 CC/C=C\CCOCC(=O)NCC 7a_100016288707_100000183381 [0,1,0,0,0,0|1,0,2]=4 2429 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [0,1,0,0,0,0|0,0,2]=3 2430 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [0,1,0,0,0,0|0,0,2]=3 2431 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100000747444_100015370543 [0,1,0,0,0,0|1,0,2]=4 2432 B12R0.1 CC/C=C\CCSCC(=O)CCC 62a_100015370543_100000747444 [0,1,0,0,0,0|1,0,2]=4 2433 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100000183381_100015370543 [0,1,0,0,0,0|1,0,2]=4 2434 B12R0.1 CC/C=C\CCSCC(=O)NCC 62a_100015370543_100000183381 [0,1,0,0,0,0|1,0,2]=4 2435 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [0,1,0,0,0,0|0,0,2]=3 2436 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [0,1,0,0,0,0|0,0,2]=3 2437 B12R0.1 CC/C=C\CNCCC(=O)NCC 34a_100025743525_100103147603 [0,1,0,0,0,0|1,0,2]=4 2438 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [0,1,0,0,0,0|0,0,2]=3 2439 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100000737597_100103147603 [0,1,0,0,0,0|1,0,2]=4 2440 B12R0.1 CC/C=C\CSCCC(=O)NCC 62a_100103147603_100000737597 [0,1,0,0,0,0|1,0,2]=4 2441 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [0,1,0,0,0,0|0,0,2]=3 2442 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [0,1,0,0,0,0|0,0,2]=3 2443 B12R0.1 CC/C=C\CSCOC(=O)OCC 62a_100103147603_100000075025 [0,1,0,0,0,0|1,0,2]=4 2444 B12R0.1 CC=C=CCCOCC(=O)OCC 34a_100011020354_100000188475 [0,1,0,0,0,0|0,0,3]=4 2445 B12R0.1 CC=CC(=O)CC#CCCCCC 1458a_100000210699_100009816472 [0,1,0,0,0,0|1,0,2]=4 2446 B12R0.1 CC=CC(=O)CCCCCCC#N 1458a_100000210699_100009813337 [0,1,0,0,0,0|1,0,2]=4 2447 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [0,1,0,0,0,0|1,0,1]=3 2448 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [0,1,0,0,0,0|1,0,1]=3 2449 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [0,1,0,0,0,0|1,0,1]=3 2450 B12R0.1 CC=CC(=O)CCCOCCOC 1458a_100000210699_100011216529 [0,1,0,0,0,0|2,0,1]=4 2451 B12R0.1 CC=CC(=O)CCOCCOCC 1458a_100000210699_100011211534 [0,1,0,0,0,0|2,0,1]=4 2452 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [0,1,0,0,0,0|1,0,1]=3 2453 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [0,1,0,0,0,0|1,0,1]=3 2454 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [0,1,0,0,0,0|1,0,1]=3 2455 B12R0.1 CC=CC(=O)NCCCCCCO 240690a_100000686447_100000210699 [0,1,0,0,0,0|2,0,1]=4 2456 B12R0.1 CC=CC(=O)NCCCCCOC 11a_100000747528_100000210699 [0,1,0,0,0,0|2,0,1]=4 2457 B12R0.1 CC=CC(=O)NCCCCCOC 1626a_100000747528_100000210699 [0,1,0,0,0,0|2,0,1]=4 2458 B12R0.1 CC=CC(=O)NCCCCCOC 240690a_100000747528_100000210699 [0,1,0,0,0,0|2,0,1]=4 2459 B12R0.1 CC=CC(=O)NCCCOCCC 1626a_100011217757_100000210699 [0,1,0,0,0,0|2,0,1]=4 2460 B12R0.1 CC=CC(=O)NCCCOCCC 240690a_100011217757_100000210699 [0,1,0,0,0,0|2,0,1]=4 2461 B12R0.1 CC=CC(=O)NCCSCCCC 11a_100025743550_100000210699 [0,1,0,0,0,0|2,0,1]=4 2462 B12R0.1 CC=CC(=O)NCCSCCCC 1626a_100025743550_100000210699 [0,1,0,0,0,0|2,0,1]=4 2463 B12R0.1 CC=CC(=O)NCCSCCCC 240690a_100025743550_100000210699 [0,1,0,0,0,0|2,0,1]=4 2464 B12R0.1 CC=CCCCOCC(=O)NCC 34a_100020645299_100000183381 [0,1,0,0,0,0|1,0,2]=4 2465 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [0,1,0,0,0,0|0,0,2]=3 2466 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [0,1,0,0,0,0|0,0,2]=3 2467 B12R0.1 CC=CCOCCNC(=O)OCC 34a_100000158857_100000070051 [0,1,0,0,0,0|1,0,2]=4 2468 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100000070051_100009991533 [0,1,0,0,0,0|0,0,2]=3 2469 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100009991533_100000070051 [0,1,0,0,0,0|0,0,2]=3 2470 B12R0.1 CC=CCSCCNC(=O)OCC 62a_100000070051_200011445536 [0,1,0,0,0,0|1,0,2]=4 2471 B12R0.1 CCC#CCCOCC(=O)CCC 7a_100000036655_100000747444 [0,1,0,0,0,0|1,0,2]=4 2472 B12R0.1 CCC#CCCOCC(=O)NCC 34a_100000036655_100000183381 [0,1,0,0,0,0|1,0,2]=4 2473 B12R0.1 CCC#CCCOCC(=O)NCC 7a_100000036655_100000183381 [0,1,0,0,0,0|1,0,2]=4 2474 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [0,1,0,0,0,0|0,0,2]=3 2475 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [0,1,0,0,0,0|0,0,2]=3 2476 B12R0.1 CCC#CCNCCC(=O)NCC 34a_100025743525_100009813939 [0,1,0,0,0,0|1,0,2]=4 2477 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [0,1,0,0,0,0|0,0,2]=3 2478 B12R0.1 CCC#CCSCCC(=O)NCC 62a_100000737597_100009813939 [0,1,0,0,0,0|1,0,2]=4 2479 B12R0.1 CCC#CCSCCC(=O)NCC 62a_100009813939_100000737597 [0,1,0,0,0,0|1,0,2]=4 2480 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [0,1,0,0,0,0|0,0,2]=3 2481 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [0,1,0,0,0,0|0,0,2]=3 2482 B12R0.1 CCC#CCSCOC(=O)OCC 62a_100009813939_100000075025 [0,1,0,0,0,0|1,0,2]=4 2483 B12R0.1 CCC/C=C/COCC(=O)CCC 7a_100016278788_100000747444 [0,1,0,0,0,0|1,0,2]=4 2484 B12R0.1 CCC/C=C/COCC(=O)NCC 34a_100016278788_100000183381 [0,1,0,0,0,0|1,0,2]=4 2485 B12R0.1 CCC/C=C/COCC(=O)NCC 7a_100016278788_100000183381 [0,1,0,0,0,0|1,0,2]=4 2486 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [0,1,0,0,0,0|0,0,2]=3 2487 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [0,1,0,0,0,0|0,0,2]=3 2488 B12R0.1 CCCC#CCOCC(=O)CCC 7a_100000034806_100000747444 [0,1,0,0,0,0|1,0,2]=4 2489 B12R0.1 CCCC#CCOCC(=O)NCC 34a_100000034806_100000183381 [0,1,0,0,0,0|1,0,2]=4 2490 B12R0.1 CCCC#CCOCC(=O)NCC 7a_100000034806_100000183381 [0,1,0,0,0,0|1,0,2]=4 2491 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [0,1,0,0,0,0|0,0,2]=3 2492 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [0,1,0,0,0,0|0,0,2]=3 2493 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [0,1,0,0,0,0|1,0,1]=3 2494 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [0,1,0,0,0,0|1,0,0]=2 2495 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [0,1,0,0,0,0|1,0,0]=2 2496 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [0,1,0,0,0,0|1,0,0]=2 2497 B12R0.1 CCCC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_100000210303 [0,1,0,0,0,0|3,0,0]=4 2498 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [0,1,0,0,0,0|2,0,0]=3 2499 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [0,1,0,0,0,0|2,0,0]=3 2500 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [0,1,0,0,0,0|2,0,0]=3 2501 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [0,1,0,0,0,0|2,0,0]=3 2502 B12R0.1 CCCC(=O)CNCCOCCO 2230a_100000211614_100000747444 [0,1,0,0,0,0|3,0,0]=4 2503 B12R0.1 CCCC(=O)CNCCSCCO 2230a_100011219999_100000747444 [0,1,0,0,0,0|3,0,0]=4 2504 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [0,1,0,0,0,0|2,0,0]=3 2505 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [0,1,0,0,0,0|2,0,0]=3 2506 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [0,1,0,0,0,0|2,0,0]=3 2507 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [0,1,0,0,0,0|2,0,0]=3 2508 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [0,1,0,0,0,0|2,0,0]=3 2509 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [0,1,0,0,0,0|2,0,0]=3 2510 B12R0.1 CCCC(=O)COCCOCCBr 7a_100000692535_100000747444 [0,1,0,0,0,0|3,0,0]=4 2511 B12R0.1 CCCC(=O)COCCOCCCl 7a_100011215305_100000747444 [0,1,0,0,0,0|3,0,0]=4 2512 B12R0.1 CCCC(=O)COCCOCCF 7a_200015357709_100000747444 [0,1,0,0,0,0|3,0,0]=4 2513 B12R0.1 CCCC(=O)COCCOCCI 7a_100012149058_100000747444 [0,1,0,0,0,0|3,0,0]=4 2514 B12R0.1 CCCC(=O)COCCOCCO 1458a_106645077154_100000210303 [0,1,0,0,0,0|3,0,0]=4 2515 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100000747444_100000211819 [0,1,0,0,0,0|2,0,1]=4 2516 B12R0.1 CCCC(=O)CSCCCCC#N 62a_100011219923_100000747444 [0,1,0,0,0,0|2,0,1]=4 2517 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000139335_100000747444 [0,1,0,0,0,0|2,0,1]=4 2518 B12R0.1 CCCC(=O)CSCCCCC=O 62a_100000747444_100000139335 [0,1,0,0,0,0|2,0,1]=4 2519 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [0,1,0,0,0,0|2,0,0]=3 2520 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [0,1,0,0,0,0|2,0,0]=3 2521 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [0,1,0,0,0,0|2,0,0]=3 2522 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [0,1,0,0,0,0|2,0,0]=3 2523 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [0,1,0,0,0,0|2,0,0]=3 2524 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [0,1,0,0,0,0|2,0,0]=3 2525 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [0,1,0,0,0,0|2,0,0]=3 2526 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [0,1,0,0,0,0|2,0,0]=3 2527 B12R0.1 CCCC(=O)CSCCOCCO 62a_100000747444_100011215305 [0,1,0,0,0,0|3,0,0]=4 2528 B12R0.1 CCCC(=O)CSCCOCCO 62a_100011215305_100000747444 [0,1,0,0,0,0|3,0,0]=4 2529 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000231047_100000747444 [0,1,0,0,0,0|3,0,0]=4 2530 B12R0.1 CCCC(=O)CSCOCCOC 62a_100000747444_100000231047 [0,1,0,0,0,0|3,0,0]=4 2531 B12R0.1 CCCC(=O)NCCCCCC#N 11a_100000061152_100000211992 [0,1,0,0,0,0|2,0,1]=4 2532 B12R0.1 CCCC(=O)NCCCCCC#N 1626a_100000061152_100000211992 [0,1,0,0,0,0|2,0,1]=4 2533 B12R0.1 CCCC(=O)NCCCCCC#N 240690a_100000061152_100000211992 [0,1,0,0,0,0|2,0,1]=4 2534 B12R0.1 CCCC(=O)NCCCCCC#N 527a_100000061152_100000211992 [0,1,0,0,0,0|2,0,1]=4 2535 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [0,1,0,0,0,0|2,0,0]=3 2536 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [0,1,0,0,0,0|2,0,0]=3 2537 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [0,1,0,0,0,0|2,0,0]=3 2538 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [0,1,0,0,0,0|2,0,0]=3 2539 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [0,1,0,0,0,0|2,0,0]=3 2540 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [0,1,0,0,0,0|2,0,0]=3 2541 B12R0.1 CCCC(=O)NCCOCCOC 11a_100000745349_100000211992 [0,1,0,0,0,0|3,0,0]=4 2542 B12R0.1 CCCC(=O)NCCOCCOC 1626a_100000745349_100000211992 [0,1,0,0,0,0|3,0,0]=4 2543 B12R0.1 CCCC(=O)NCCOCCOC 240690a_100000745349_100000211992 [0,1,0,0,0,0|3,0,0]=4 2544 B12R0.1 CCCC(=O)NCCOCCOC 527a_100000745349_100000211992 [0,1,0,0,0,0|3,0,0]=4 2545 B12R0.1 CCCC(=O)OCNCCCCO 2230a_100000750430_100000034017 [0,1,0,0,0,0|3,0,0]=4 2546 B12R0.1 CCCC(=O)OCNCCCCO 34a_100000750430_100000034017 [0,1,0,0,0,0|3,0,0]=4 2547 B12R0.1 CCCC(=O)OCNCCCOC 34a_100150723488_100000034017 [0,1,0,0,0,0|3,0,0]=4 2548 B12R0.1 CCCC(=O)OCNCCCSC 2230a_100000749238_100000034017 [0,1,0,0,0,0|3,0,0]=4 2549 B12R0.1 CCCC(=O)OCNCCOCC 2230a_102516460346_100000034017 [0,1,0,0,0,0|3,0,0]=4 2550 B12R0.1 CCCC(=O)OCNCCOCC 34a_102516460346_100000034017 [0,1,0,0,0,0|3,0,0]=4 2551 B12R0.1 CCCC(=O)OCNCCSCC 2230a_100000106463_100000034017 [0,1,0,0,0,0|3,0,0]=4 2552 B12R0.1 CCCC(=O)OCOCCCCBr 34a_100011216708_100000034017 [0,1,0,0,0,0|3,0,0]=4 2553 B12R0.1 CCCC(=O)OCOCCCCCl 34a_100000210776_100000034017 [0,1,0,0,0,0|3,0,0]=4 2554 B12R0.1 CCCC(=O)OCOCCCCF 34a_100011995726_100000034017 [0,1,0,0,0,0|3,0,0]=4 2555 B12R0.1 CCCC(=O)OCOCCCCI 34a_200012148704_100000034017 [0,1,0,0,0,0|3,0,0]=4 2556 B12R0.1 CCCC(=O)OCOCCCCN 34a_100000750430_100000034017 [0,1,0,0,0,0|3,0,0]=4 2557 B12R0.1 CCCC(=O)OCOCCCNC 34a_100000213112_100000034017 [0,1,0,0,0,0|3,0,0]=4 2558 B12R0.1 CCCC(=O)OCOCCCOC 34a_100000740835_100000034017 [0,1,0,0,0,0|3,0,0]=4 2559 B12R0.1 CCCC(=O)OCOCCCSC 34a_100000690336_100000034017 [0,1,0,0,0,0|3,0,0]=4 2560 B12R0.1 CCCC(=O)OCOCCOCC 34a_100000210136_100000034017 [0,1,0,0,0,0|3,0,0]=4 2561 B12R0.1 CCCC(=O)OCOCCSCC 34a_100000212035_100000034017 [0,1,0,0,0,0|3,0,0]=4 2562 B12R0.1 CCCC(=O)OCSCCCCF 62a_100000729493_100000034017 [0,1,0,0,0,0|3,0,0]=4 2563 B12R0.1 CCCC(=O)OCSCCCCO 62a_100000210776_100000034017 [0,1,0,0,0,0|3,0,0]=4 2564 B12R0.1 CCCC(=O)OCSCCCOC 62a_100000709357_100000034017 [0,1,0,0,0,0|3,0,0]=4 2565 B12R0.1 CCCC(=O)OCSCCOCC 62a_100000210147_100000034017 [0,1,0,0,0,0|3,0,0]=4 2566 B12R0.1 CCCC(=O)OCSCCSCC 62a_100000757381_100000034017 [0,1,0,0,0,0|3,0,0]=4 2567 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [0,1,0,0,0,0|1,0,1]=3 2568 B12R0.1 CCCCC/C=C/CC(=O)CCF 1458a_100020675968_100011217306 [0,1,0,0,0,0|2,0,1]=4 2569 B12R0.1 CCCCC/C=C/CC(=O)CCO 1458a_100020675968_100000211926 [0,1,0,0,0,0|2,0,1]=4 2570 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [0,1,0,0,0,0|1,0,1]=3 2571 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [0,1,0,0,0,0|1,0,1]=3 2572 B12R0.1 CCCCC/C=C/CC(=O)NNC 22a_100016993582_100020675968 [0,1,0,0,0,0|2,0,1]=4 2573 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [0,1,0,0,0,0|1,0,1]=3 2574 B12R0.1 CCCCCC#CCC(=O)CCO 1458a_100011216618_100009816472 [0,1,0,0,0,0|2,0,1]=4 2575 B12R0.1 CCCCCC#CCC(=O)COC 1458a_100000210968_100009816472 [0,1,0,0,0,0|2,0,1]=4 2576 B12R0.1 CCCCCC#CCC(=O)CSC 1458a_100000184570_100009816472 [0,1,0,0,0,0|2,0,1]=4 2577 B12R0.1 CCCCCC=NNC(=O)CCC 4a_100000189770_100000737632 [0,1,0,0,0,0|2,0,1]=4 2578 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [0,1,0,0,0,0|1,0,1]=3 2579 B12R0.1 CCCCCCC=CC(=O)CCF 1458a_200015324643_100011217306 [0,1,0,0,0,0|2,0,1]=4 2580 B12R0.1 CCCCCCC=CC(=O)CCO 1458a_200015324643_100000211926 [0,1,0,0,0,0|2,0,1]=4 2581 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [0,1,0,0,0,0|1,0,1]=3 2582 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [0,1,0,0,0,0|1,0,1]=3 2583 B12R0.1 CCCCCCC=CC(=O)NNC 22a_100016993582_200015324643 [0,1,0,0,0,0|2,0,1]=4 2584 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [0,1,0,0,0,0|2,0,1]=4 2585 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [0,1,0,0,0,0|2,0,1]=4 2586 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [0,1,0,0,0,0|2,0,1]=4 2587 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [0,1,0,0,0,0|2,0,1]=4 2588 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [0,1,0,0,0,0|2,0,1]=4 2589 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [0,1,0,0,0,0|1,0,0]=2 2590 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [0,1,0,0,0,0|1,0,0]=2 2591 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [0,1,0,0,0,0|2,0,0]=3 2592 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [0,1,0,0,0,0|2,0,0]=3 2593 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [0,1,0,0,0,0|2,0,0]=3 2594 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [0,1,0,0,0,0|2,0,0]=3 2595 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [0,1,0,0,0,0|2,0,0]=3 2596 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [0,1,0,0,0,0|1,0,0]=2 2597 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [0,1,0,0,0,0|1,0,0]=2 2598 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [0,1,0,0,0,0|1,0,0]=2 2599 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [0,1,0,0,0,0|2,0,0]=3 2600 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [0,1,0,0,0,0|2,0,1]=4 2601 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [0,1,0,0,0,0|1,0,1]=3 2602 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [0,1,0,0,0,0|1,0,1]=3 2603 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [0,1,0,0,0,0|2,0,1]=4 2604 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [0,1,0,0,0,0|2,0,1]=4 2605 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [0,1,0,0,0,0|3,0,0]=4 2606 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [0,1,0,0,0,0|3,0,0]=4 2607 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [0,1,0,0,0,0|3,0,0]=4 2608 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [0,1,0,0,0,0|3,0,0]=4 2609 B12R0.1 CCCCCCCNC(=O)C=CBr 1626a_100000229938_100016273825 [0,1,0,0,0,0|2,0,1]=4 2610 B12R0.1 CCCCCCCNC(=O)C=CBr 240690a_100000229938_100016273825 [0,1,0,0,0,0|2,0,1]=4 2611 B12R0.1 CCCCCCCNC(=O)C=CCl 11a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 2612 B12R0.1 CCCCCCCNC(=O)C=CCl 1626a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 2613 B12R0.1 CCCCCCCNC(=O)C=CCl 240690a_100000229938_200016279998 [0,1,0,0,0,0|2,0,1]=4 2614 B12R0.1 CCCCCCCNC(=O)C=CI 1626a_100000229938_100016256311 [0,1,0,0,0,0|2,0,1]=4 2615 B12R0.1 CCCCCCCNC(=O)CC#N 1626a_100000229938_100051588842 [0,1,0,0,0,0|2,0,1]=4 2616 B12R0.1 CCCCCCCNC(=O)CC#N 240690a_100000229938_100051588842 [0,1,0,0,0,0|2,0,1]=4 2617 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [0,1,0,0,0,0|1,0,0]=2 2618 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [0,1,0,0,0,0|1,0,0]=2 2619 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [0,1,0,0,0,0|1,0,0]=2 2620 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [0,1,0,0,0,0|1,0,0]=2 2621 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [0,1,0,0,0,0|2,0,0]=3 2622 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [0,1,0,0,0,0|2,0,0]=3 2623 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [0,1,0,0,0,0|2,0,0]=3 2624 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [0,1,0,0,0,0|2,0,0]=3 2625 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [0,1,0,0,0,0|2,0,0]=3 2626 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [0,1,0,0,0,0|2,0,0]=3 2627 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [0,1,0,0,0,0|2,0,0]=3 2628 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [0,1,0,0,0,0|2,0,0]=3 2629 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [0,1,0,0,0,0|2,0,0]=3 2630 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [0,1,0,0,0,0|1,0,0]=2 2631 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [0,1,0,0,0,0|1,0,0]=2 2632 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [0,1,0,0,0,0|1,0,0]=2 2633 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [0,1,0,0,0,0|1,0,0]=2 2634 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [0,1,0,0,0,0|1,0,0]=2 2635 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [0,1,0,0,0,0|1,0,0]=2 2636 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [0,1,0,0,0,0|2,0,0]=3 2637 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [0,1,0,0,0,0|2,0,0]=3 2638 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [0,1,0,0,0,0|2,0,0]=3 2639 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000229938_100000766640 [0,1,0,0,0,0|2,0,1]=4 2640 B12R0.1 CCCCCCCNC(C)CCC 2230a_100000741246_100000210681 [0,1,0,0,0,0|2,0,1]=4 2641 B12R0.1 CCCCCCCNC(C)CCC 270004a_100000229938_100000211909 [0,1,0,0,0,0|2,0,1]=4 2642 B12R0.1 CCCCCCCOC(C)CCC 34a_100000210272_100000766640 [0,1,0,0,0,0|2,0,1]=4 2643 B12R0.1 CCCCCCCOC(C)CCC 34a_100000764384_100000210614 [0,1,0,0,0,0|2,0,1]=4 2644 B12R0.1 CCCCCCCOC(C)CCC 7a_100000210272_100000766640 [0,1,0,0,0,0|2,0,1]=4 2645 B12R0.1 CCCCCCCOC(C)CCC 7a_100000764384_100000210614 [0,1,0,0,0,0|2,0,1]=4 2646 B12R0.1 CCCCCCCSC(C)CCC 62a_100000210614_100000766640 [0,1,0,0,0,0|2,0,1]=4 2647 B12R0.1 CCCCCCCSC(C)CCC 62a_100000766640_100000210316 [0,1,0,0,0,0|2,0,1]=4 2648 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [0,1,0,0,0,0|1,0,0]=2 2649 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [0,1,0,0,0,0|1,0,0]=2 2650 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [0,1,0,0,0,0|1,0,0]=2 2651 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [0,1,0,0,0,0|2,0,0]=3 2652 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [0,1,0,0,0,0|0,0,0]=1 2653 B12R0.1 CCCCCCNCC(C)CCC 2230a_100000210581_100011216630 [0,1,0,0,0,0|2,0,1]=4 2654 B12R0.1 CCCCCCNCC(C)CCC 270004a_100000210581_100000243154 [0,1,0,0,0,0|2,0,1]=4 2655 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [0,1,0,0,0,0|1,0,0]=2 2656 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [0,1,0,0,0,0|1,0,0]=2 2657 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [0,1,0,0,0,0|1,0,0]=2 2658 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [0,1,0,0,0,0|2,0,0]=3 2659 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [0,1,0,0,0,0|2,0,0]=3 2660 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [0,1,0,0,0,0|0,0,0]=1 2661 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [0,1,0,0,0,0|0,0,0]=1 2662 B12R0.1 CCCCCCOCC(C)CCC 34a_100000210259_100011216630 [0,1,0,0,0,0|2,0,1]=4 2663 B12R0.1 CCCCCCOCC(C)CCC 34a_100000688023_100000210314 [0,1,0,0,0,0|2,0,1]=4 2664 B12R0.1 CCCCCCOCC(C)CCC 7a_100000210259_100011216630 [0,1,0,0,0,0|2,0,1]=4 2665 B12R0.1 CCCCCCOCC(C)CCC 7a_100000688023_100000210314 [0,1,0,0,0,0|2,0,1]=4 2666 B12R0.1 CCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210314 [0,1,0,0,0,0|2,0,1]=4 2667 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [0,1,0,0,0,0|1,0,0]=2 2668 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [0,1,0,0,0,0|1,0,0]=2 2669 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [0,1,0,0,0,0|1,0,0]=2 2670 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [0,1,0,0,0,0|1,0,0]=2 2671 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [0,1,0,0,0,0|2,0,0]=3 2672 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [0,1,0,0,0,0|2,0,0]=3 2673 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [0,1,0,0,0,0|0,0,0]=1 2674 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [0,1,0,0,0,0|0,0,0]=1 2675 B12R0.1 CCCCCCSCC(C)CCC 62a_100000210314_100011216630 [0,1,0,0,0,0|2,0,1]=4 2676 B12R0.1 CCCCCCSCC(C)CCC 62a_100011216630_100000210757 [0,1,0,0,0,0|2,0,1]=4 2677 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [0,1,0,0,0,0|1,0,0]=2 2678 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [0,1,0,0,0,0|1,0,0]=2 2679 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [0,1,0,0,0,0|0,0,0]=1 2680 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [0,1,0,0,0,0|2,0,0]=3 2681 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [0,1,0,0,0,0|1,0,1]=3 2682 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [0,1,0,0,0,0|1,0,0]=2 2683 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [0,1,0,0,0,0|0,0,0]=1 2684 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [0,1,0,0,0,0|0,0,0]=1 2685 B12R0.1 CCCCCOCCC(C)CCC 34a_100011217855_100000718602 [0,1,0,0,0,0|2,0,1]=4 2686 B12R0.1 CCCCCOCCC(C)CCC 7a_100011217855_100000210326 [0,1,0,0,0,0|2,0,1]=4 2687 B12R0.1 CCCCCOCC[C@@H](N)CCC 34a_100015193777_100000718602 [0,1,0,0,0,0|2,0,1]=4 2688 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [0,1,0,0,0,0|2,0,0]=3 2689 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [0,1,0,0,0,0|1,0,0]=2 2690 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [0,1,0,0,0,0|1,0,0]=2 2691 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [0,1,0,0,0,0|0,0,0]=1 2692 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [0,1,0,0,0,0|0,0,0]=1 2693 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [0,1,0,0,0,0|2,0,0]=3 2694 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [0,1,0,0,0,0|1,0,0]=2 2695 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [0,1,0,0,0,0|0,0,2]=3 2696 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [0,1,0,0,0,0|0,0,2]=3 2697 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [0,1,0,0,0,0|0,0,0]=1 2698 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [0,1,0,0,0,0|0,0,0]=1 2699 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [0,1,0,0,0,0|1,0,0]=2 2700 B12R0.1 CCCCNN=C[CH-]C(=O)OCC 4a_100025702795_100010622808 [0,1,0,0,0,0|1,0,2]=4 2701 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [0,1,0,0,0,0|0,0,2]=3 2702 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [0,1,0,0,0,0|0,0,2]=3 2703 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [0,1,0,0,0,0|0,0,0]=1 2704 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [0,1,0,0,0,0|0,0,0]=1 2705 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [0,1,0,0,0,0|0,0,0]=1 2706 B12R0.1 CCCCOCCCC(C)CCC 34a_100011713154_100000210210 [0,1,0,0,0,0|2,0,1]=4 2707 B12R0.1 CCCCOCCCC(C)CCC 7a_100011713154_100000210211 [0,1,0,0,0,0|2,0,1]=4 2708 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [0,1,0,0,0,0|1,0,0]=2 2709 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [0,1,0,0,0,0|1,0,0]=2 2710 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [0,1,0,0,0,0|2,0,0]=3 2711 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [0,1,0,0,0,0|2,0,0]=3 2712 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [0,1,0,0,0,0|2,0,0]=3 2713 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [0,1,0,0,0,0|2,0,0]=3 2714 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [0,1,0,0,0,0|2,0,0]=3 2715 B12R0.1 CCCCOCSCC(=O)NCO 62a_100000185155_100011995733 [0,1,0,0,0,0|3,0,0]=4 2716 B12R0.1 CCCCOCSCC(=O)NCO 62a_100011995733_100000185155 [0,1,0,0,0,0|3,0,0]=4 2717 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [0,1,0,0,0,0|1,0,0]=2 2718 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [0,1,0,0,0,0|1,0,0]=2 2719 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [0,1,0,0,0,0|0,0,2]=3 2720 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [0,1,0,0,0,0|0,0,2]=3 2721 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [0,1,0,0,0,0|0,0,0]=1 2722 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [0,1,0,0,0,0|0,0,0]=1 2723 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [0,1,0,0,0,0|2,0,0]=3 2724 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [0,1,0,0,0,0|2,0,0]=3 2725 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [0,1,0,0,0,0|2,0,0]=3 2726 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [0,1,0,0,0,0|2,0,0]=3 2727 B12R0.1 CCCCSCCNC(=O)CCO 240690a_100025743550_100011216618 [0,1,0,0,0,0|3,0,0]=4 2728 B12R0.1 CCCCSCCNC(=O)COC 11a_100025743550_100000210968 [0,1,0,0,0,0|3,0,0]=4 2729 B12R0.1 CCCCSCCNC(=O)COC 1626a_100025743550_100000210968 [0,1,0,0,0,0|3,0,0]=4 2730 B12R0.1 CCCCSCCNC(=O)COC 240690a_100025743550_100000210968 [0,1,0,0,0,0|3,0,0]=4 2731 B12R0.1 CCCCSCCNC(=O)COC 527a_100025743550_100000210968 [0,1,0,0,0,0|3,0,0]=4 2732 B12R0.1 CCCCSCCNC(=O)CSC 11a_100025743550_100000184570 [0,1,0,0,0,0|3,0,0]=4 2733 B12R0.1 CCCCSCCNC(=O)CSC 1626a_100025743550_100000184570 [0,1,0,0,0,0|3,0,0]=4 2734 B12R0.1 CCCCSCCNC(=O)CSC 240690a_100025743550_100000184570 [0,1,0,0,0,0|3,0,0]=4 2735 B12R0.1 CCCCSCCNC(=O)CSC 527a_100025743550_100000184570 [0,1,0,0,0,0|3,0,0]=4 2736 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [0,1,0,0,0,0|2,0,0]=3 2737 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [0,1,0,0,0,0|2,0,0]=3 2738 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [0,1,0,0,0,0|2,0,0]=3 2739 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [0,1,0,0,0,0|2,0,0]=3 2740 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [0,1,0,0,0,0|2,0,0]=3 2741 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [0,1,0,0,0,0|2,0,0]=3 2742 B12R0.1 CCCCSCCNC(=O)NNC 273464a_100025743550_100016993582 [0,1,0,0,0,0|3,0,0]=4 2743 B12R0.1 CCCCSCCNC(=O)NNC 512a_100016993582_100025743550 [0,1,0,0,0,0|3,0,0]=4 2744 B12R0.1 CCCCSCCNC(=O)NNC 512a_100025743550_100016993582 [0,1,0,0,0,0|3,0,0]=4 2745 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [0,1,0,0,0,0|1,0,0]=2 2746 B12R0.1 CCCN(C)CCCCCCCO 2230a_100000747261_100000760002 [0,1,0,0,0,0|3,0,0]=4 2747 B12R0.1 CCCN(C)CCCCCCCO 269982a_100000747261_100000760002 [0,1,0,0,0,0|3,0,0]=4 2748 B12R0.1 CCCN(C)CCCCCCOC 2230a_100000747261_100011998445 [0,1,0,0,0,0|3,0,0]=4 2749 B12R0.1 CCCN(C)CCCCCCOC 269982a_100000747261_100011998445 [0,1,0,0,0,0|3,0,0]=4 2750 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [0,1,0,0,0,0|0,0,0]=1 2751 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [0,1,0,0,0,0|2,0,0]=3 2752 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [0,1,0,0,0,0|2,0,0]=3 2753 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [0,1,0,0,0,0|2,0,0]=3 2754 B12R0.1 CCCOCCCNC(=O)CCO 240690a_100011217757_100011216618 [0,1,0,0,0,0|3,0,0]=4 2755 B12R0.1 CCCOCCCNC(=O)COC 1626a_100011217757_100000210968 [0,1,0,0,0,0|3,0,0]=4 2756 B12R0.1 CCCOCCCNC(=O)COC 240690a_100011217757_100000210968 [0,1,0,0,0,0|3,0,0]=4 2757 B12R0.1 CCCOCCCNC(=O)COC 527a_100011217757_100000210968 [0,1,0,0,0,0|3,0,0]=4 2758 B12R0.1 CCCOCCCNC(=O)CSC 1626a_100011217757_100000184570 [0,1,0,0,0,0|3,0,0]=4 2759 B12R0.1 CCCOCCCNC(=O)CSC 240690a_100011217757_100000184570 [0,1,0,0,0,0|3,0,0]=4 2760 B12R0.1 CCCOCCCNC(=O)CSC 527a_100011217757_100000184570 [0,1,0,0,0,0|3,0,0]=4 2761 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [0,1,0,0,0,0|2,0,0]=3 2762 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [0,1,0,0,0,0|2,0,0]=3 2763 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [0,1,0,0,0,0|2,0,0]=3 2764 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [0,1,0,0,0,0|2,0,0]=3 2765 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [0,1,0,0,0,0|2,0,0]=3 2766 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [0,1,0,0,0,0|2,0,0]=3 2767 B12R0.1 CCCOCCCNC(=O)NNC 273464a_100011217757_100016993582 [0,1,0,0,0,0|3,0,0]=4 2768 B12R0.1 CCCOCCCNC(=O)NNC 512a_100011217757_100016993582 [0,1,0,0,0,0|3,0,0]=4 2769 B12R0.1 CCCOCCCNC(=O)NNC 512a_100016993582_100011217757 [0,1,0,0,0,0|3,0,0]=4 2770 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [0,1,0,0,0,0|2,0,0]=3 2771 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [0,1,0,0,0,0|2,0,0]=3 2772 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [0,1,0,0,0,0|2,0,0]=3 2773 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [0,1,0,0,0,0|2,0,0]=3 2774 B12R0.1 CCCOCCNCC(=O)NCO 2230a_100161115042_100000185155 [0,1,0,0,0,0|3,0,0]=4 2775 B12R0.1 CCCOCCNCC(=O)NCO 34a_100161115042_100000185155 [0,1,0,0,0,0|3,0,0]=4 2776 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [0,1,0,0,0,0|1,0,0]=2 2777 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [0,1,0,0,0,0|1,0,0]=2 2778 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [0,1,0,0,0,0|2,0,0]=3 2779 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [0,1,0,0,0,0|2,0,0]=3 2780 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [0,1,0,0,0,0|2,0,0]=3 2781 B12R0.1 CCCOCCOCC(=O)NCO 34a_100000752267_100000185155 [0,1,0,0,0,0|3,0,0]=4 2782 B12R0.1 CCCOCCOCC(=O)NCO 7a_100000752267_100000185155 [0,1,0,0,0,0|3,0,0]=4 2783 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [0,1,0,0,0,0|1,0,0]=2 2784 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [0,1,0,0,0,0|1,0,0]=2 2785 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [0,1,0,0,0,0|1,0,0]=2 2786 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [0,1,0,0,0,0|2,0,0]=3 2787 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [0,1,0,0,0,0|2,0,0]=3 2788 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [0,1,0,0,0,0|2,0,0]=3 2789 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [0,1,0,0,0,0|2,0,0]=3 2790 B12R0.1 CCCOCCSCC(=O)NCO 62a_100000185155_100011215938 [0,1,0,0,0,0|3,0,0]=4 2791 B12R0.1 CCCOCCSCC(=O)NCO 62a_100011215938_100000185155 [0,1,0,0,0,0|3,0,0]=4 2792 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [0,1,0,0,0,0|1,0,0]=2 2793 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [0,1,0,0,0,0|1,0,0]=2 2794 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [0,1,0,0,0,0|1,0,0]=2 2795 B12R0.1 CCCSCC=NNC(=O)OCC 62a_100000210303_100015372823 [0,1,0,0,0,0|2,0,1]=4 2796 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [0,1,0,0,0,0|0,0,0]=1 2797 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [0,1,0,0,0,0|0,0,0]=1 2798 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [0,1,0,0,0,0|2,0,0]=3 2799 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [0,1,0,0,0,0|2,0,0]=3 2800 B12R0.1 CCCSCCNCC(=O)NCO 2230a_100020603323_100000185155 [0,1,0,0,0,0|3,0,0]=4 2801 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [0,1,0,0,0,0|1,0,0]=2 2802 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [0,1,0,0,0,0|2,0,0]=3 2803 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [0,1,0,0,0,0|2,0,0]=3 2804 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [0,1,0,0,0,0|2,0,0]=3 2805 B12R0.1 CCCSCCOCC(=O)NCO 34a_200000230433_100000185155 [0,1,0,0,0,0|3,0,0]=4 2806 B12R0.1 CCCSCCOCC(=O)NCO 7a_200000230433_100000185155 [0,1,0,0,0,0|3,0,0]=4 2807 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [0,1,0,0,0,0|1,0,0]=2 2808 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [0,1,0,0,0,0|1,0,0]=2 2809 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [0,1,0,0,0,0|1,0,0]=2 2810 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [0,1,0,0,0,0|1,0,0]=2 2811 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [0,1,0,0,0,0|1,0,0]=2 2812 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 11a_100015525214_100009870042 [0,1,0,0,0,0|3,0,0]=4 2813 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 240690a_100015525214_100009870042 [0,1,0,0,0,0|3,0,0]=4 2814 B12R0.1 CCNC(=O)CCCCCN=[N+]=[N-] 527a_100015525214_100009870042 [0,1,0,0,0,0|3,0,0]=4 2815 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [0,1,0,0,0,0|2,0,0]=3 2816 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [0,1,0,0,0,0|2,0,0]=3 2817 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [0,1,0,0,0,0|2,0,0]=3 2818 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [0,1,0,0,0,0|2,0,0]=3 2819 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [0,1,0,0,0,0|2,0,0]=3 2820 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [0,1,0,0,0,0|2,0,0]=3 2821 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [0,1,0,0,0,0|2,0,0]=3 2822 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [0,1,0,0,0,0|2,0,0]=3 2823 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [0,1,0,0,0,0|2,0,0]=3 2824 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [0,1,0,0,0,0|2,0,0]=3 2825 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [0,1,0,0,0,0|2,0,0]=3 2826 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [0,1,0,0,0,0|2,0,0]=3 2827 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [0,1,0,0,0,0|2,0,0]=3 2828 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [0,1,0,0,0,0|2,0,0]=3 2829 B12R0.1 CCNC(=O)CCSCCCC#N 62a_100000687738_100000737597 [0,1,0,0,0,0|2,0,1]=4 2830 B12R0.1 CCNC(=O)CCSCCCC#N 62a_100000737597_100000687738 [0,1,0,0,0,0|2,0,1]=4 2831 B12R0.1 CCNC(=O)CCSCCCC=O 62a_100000737597_200011292268 [0,1,0,0,0,0|2,0,1]=4 2832 B12R0.1 CCNC(=O)CCSCCCC=O 62a_200011292268_100000737597 [0,1,0,0,0,0|2,0,1]=4 2833 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [0,1,0,0,0,0|2,0,0]=3 2834 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [0,1,0,0,0,0|2,0,0]=3 2835 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [0,1,0,0,0,0|2,0,0]=3 2836 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [0,1,0,0,0,0|2,0,0]=3 2837 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [0,1,0,0,0,0|2,0,0]=3 2838 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [0,1,0,0,0,0|2,0,0]=3 2839 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [0,1,0,0,0,0|2,0,0]=3 2840 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [0,1,0,0,0,0|2,0,0]=3 2841 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [0,1,0,0,0,0|2,0,0]=3 2842 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [0,1,0,0,0,0|2,0,0]=3 2843 B12R0.1 CCNC(=O)CNCCCCC#N 2230a_100016988866_100000211819 [0,1,0,0,0,0|2,0,1]=4 2844 B12R0.1 CCNC(=O)CNCCCCC=O 2230a_100016988866_100000139335 [0,1,0,0,0,0|2,0,1]=4 2845 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [0,1,0,0,0,0|2,0,0]=3 2846 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [0,1,0,0,0,0|2,0,0]=3 2847 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [0,1,0,0,0,0|2,0,0]=3 2848 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [0,1,0,0,0,0|2,0,0]=3 2849 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [0,1,0,0,0,0|2,0,0]=3 2850 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [0,1,0,0,0,0|2,0,0]=3 2851 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [0,1,0,0,0,0|2,0,0]=3 2852 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [0,1,0,0,0,0|2,0,0]=3 2853 B12R0.1 CCNC(=O)CNCCOCCO 2230a_100000211614_100000183381 [0,1,0,0,0,0|3,0,0]=4 2854 B12R0.1 CCNC(=O)CNCCOCCO 2230a_100016988866_100011215305 [0,1,0,0,0,0|3,0,0]=4 2855 B12R0.1 CCNC(=O)CNCCOCCO 34a_100000211614_100000183381 [0,1,0,0,0,0|3,0,0]=4 2856 B12R0.1 CCNC(=O)CNCCSCCO 2230a_100011219999_100000183381 [0,1,0,0,0,0|3,0,0]=4 2857 B12R0.1 CCNC(=O)CNCOCCOC 2230a_100016988866_100000231047 [0,1,0,0,0,0|3,0,0]=4 2858 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [0,1,0,0,0,0|2,0,0]=3 2859 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [0,1,0,0,0,0|2,0,0]=3 2860 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [0,1,0,0,0,0|2,0,0]=3 2861 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [0,1,0,0,0,0|2,0,0]=3 2862 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [0,1,0,0,0,0|2,0,0]=3 2863 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [0,1,0,0,0,0|2,0,0]=3 2864 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [0,1,0,0,0,0|2,0,0]=3 2865 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [0,1,0,0,0,0|2,0,0]=3 2866 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [0,1,0,0,0,0|2,0,0]=3 2867 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [0,1,0,0,0,0|2,0,0]=3 2868 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [0,1,0,0,0,0|2,0,0]=3 2869 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [0,1,0,0,0,0|2,0,0]=3 2870 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [0,1,0,0,0,0|2,0,0]=3 2871 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [0,1,0,0,0,0|2,0,0]=3 2872 B12R0.1 CCNC(=O)COCCOCCBr 34a_100000692535_100000183381 [0,1,0,0,0,0|3,0,0]=4 2873 B12R0.1 CCNC(=O)COCCOCCBr 7a_100000692535_100000183381 [0,1,0,0,0,0|3,0,0]=4 2874 B12R0.1 CCNC(=O)COCCOCCCl 34a_100011215305_100000183381 [0,1,0,0,0,0|3,0,0]=4 2875 B12R0.1 CCNC(=O)COCCOCCCl 7a_100011215305_100000183381 [0,1,0,0,0,0|3,0,0]=4 2876 B12R0.1 CCNC(=O)COCCOCCF 34a_200015357709_100000183381 [0,1,0,0,0,0|3,0,0]=4 2877 B12R0.1 CCNC(=O)COCCOCCF 7a_200015357709_100000183381 [0,1,0,0,0,0|3,0,0]=4 2878 B12R0.1 CCNC(=O)COCCOCCI 34a_100012149058_100000183381 [0,1,0,0,0,0|3,0,0]=4 2879 B12R0.1 CCNC(=O)COCCOCCI 7a_100012149058_100000183381 [0,1,0,0,0,0|3,0,0]=4 2880 B12R0.1 CCNC(=O)COCCOCCN 34a_100000211614_100000183381 [0,1,0,0,0,0|3,0,0]=4 2881 B12R0.1 CCNC(=O)COCCOCCO 240690a_100015525214_106645077154 [0,1,0,0,0,0|3,0,0]=4 2882 B12R0.1 CCNC(=O)CSCCCCC#N 62a_100000183381_100000211819 [0,1,0,0,0,0|2,0,1]=4 2883 B12R0.1 CCNC(=O)CSCCCCC#N 62a_100011219923_100000183381 [0,1,0,0,0,0|2,0,1]=4 2884 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000139335_100000183381 [0,1,0,0,0,0|2,0,1]=4 2885 B12R0.1 CCNC(=O)CSCCCCC=O 62a_100000183381_100000139335 [0,1,0,0,0,0|2,0,1]=4 2886 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [0,1,0,0,0,0|2,0,0]=3 2887 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [0,1,0,0,0,0|2,0,0]=3 2888 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [0,1,0,0,0,0|2,0,0]=3 2889 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [0,1,0,0,0,0|2,0,0]=3 2890 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [0,1,0,0,0,0|2,0,0]=3 2891 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [0,1,0,0,0,0|2,0,0]=3 2892 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [0,1,0,0,0,0|2,0,0]=3 2893 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [0,1,0,0,0,0|2,0,0]=3 2894 B12R0.1 CCNC(=O)CSCCOCCO 62a_100000183381_100011215305 [0,1,0,0,0,0|3,0,0]=4 2895 B12R0.1 CCNC(=O)CSCCOCCO 62a_100011215305_100000183381 [0,1,0,0,0,0|3,0,0]=4 2896 B12R0.1 CCNC(=O)CSCOCCOC 62a_100000183381_100000231047 [0,1,0,0,0,0|3,0,0]=4 2897 B12R0.1 CCNC(=O)CSCOCCOC 62a_100000231047_100000183381 [0,1,0,0,0,0|3,0,0]=4 2898 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100000061152_100015525214 [0,1,0,0,0,0|2,0,1]=4 2899 B12R0.1 CCNC(=O)NCCCCCC#N 2708a_100015525214_100000061152 [0,1,0,0,0,0|2,0,1]=4 2900 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100000061152_100015525214 [0,1,0,0,0,0|2,0,1]=4 2901 B12R0.1 CCNC(=O)NCCCCCC#N 273464a_100015525214_100000061152 [0,1,0,0,0,0|2,0,1]=4 2902 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100000061152_100015525214 [0,1,0,0,0,0|2,0,1]=4 2903 B12R0.1 CCNC(=O)NCCCCCC#N 512a_100015525214_100000061152 [0,1,0,0,0,0|2,0,1]=4 2904 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [0,1,0,0,0,0|2,0,0]=3 2905 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [0,1,0,0,0,0|2,0,0]=3 2906 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [0,1,0,0,0,0|2,0,0]=3 2907 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [0,1,0,0,0,0|2,0,0]=3 2908 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [0,1,0,0,0,0|2,0,0]=3 2909 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [0,1,0,0,0,0|2,0,0]=3 2910 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [0,1,0,0,0,0|2,0,0]=3 2911 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [0,1,0,0,0,0|2,0,0]=3 2912 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [0,1,0,0,0,0|2,0,0]=3 2913 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [0,1,0,0,0,0|2,0,0]=3 2914 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [0,1,0,0,0,0|2,0,0]=3 2915 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100000745349_100015525214 [0,1,0,0,0,0|3,0,0]=4 2916 B12R0.1 CCNC(=O)NCCOCCOC 2708a_100015525214_100000745349 [0,1,0,0,0,0|3,0,0]=4 2917 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100000745349_100015525214 [0,1,0,0,0,0|3,0,0]=4 2918 B12R0.1 CCNC(=O)NCCOCCOC 273464a_100015525214_100000745349 [0,1,0,0,0,0|3,0,0]=4 2919 B12R0.1 CCNC(=O)NCCOCCOC 512a_100000745349_100015525214 [0,1,0,0,0,0|3,0,0]=4 2920 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [0,1,0,0,0,0|0,0,0]=1 2921 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [0,1,0,0,0,0|1,0,0]=2 2922 B12R0.1 CCOC(=O)/C=C/CNCCCF 2230a_100015189416_100016267167 [0,1,0,0,0,0|1,0,2]=4 2923 B12R0.1 CCOC(=O)/C=C/CNCCCF 34a_100015189416_100016267167 [0,1,0,0,0,0|1,0,2]=4 2924 B12R0.1 CCOC(=O)/C=C/CNCCOC 2230a_100000209980_100016267167 [0,1,0,0,0,0|1,0,2]=4 2925 B12R0.1 CCOC(=O)/C=C/CNCCSC 2230a_100020590264_100016267167 [0,1,0,0,0,0|1,0,2]=4 2926 B12R0.1 CCOC(=O)/C=C/COCCCBr 34a_100011217188_100016267167 [0,1,0,0,0,0|1,0,2]=4 2927 B12R0.1 CCOC(=O)/C=C/COCCCCl 34a_100000230001_100016267167 [0,1,0,0,0,0|1,0,2]=4 2928 B12R0.1 CCOC(=O)/C=C/COCCCF 34a_100000759539_100016267167 [0,1,0,0,0,0|1,0,2]=4 2929 B12R0.1 CCOC(=O)/C=C/COCCCN 34a_100000182051_100016267167 [0,1,0,0,0,0|1,0,2]=4 2930 B12R0.1 CCOC(=O)/C=C/COCCOC 34a_100000210237_100016267167 [0,1,0,0,0,0|1,0,2]=4 2931 B12R0.1 CCOC(=O)/C=C/COCCSC 34a_100000230434_100016267167 [0,1,0,0,0,0|1,0,2]=4 2932 B12R0.1 CCOC(=O)/C=C/COCCSC 7a_100000230434_100016267167 [0,1,0,0,0,0|1,0,2]=4 2933 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100011934791_100016267167 [0,1,0,0,0,0|1,0,2]=4 2934 B12R0.1 CCOC(=O)/C=C/CSCCCF 62a_100016267167_100011934791 [0,1,0,0,0,0|1,0,2]=4 2935 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100011215043_100016267167 [0,1,0,0,0,0|1,0,2]=4 2936 B12R0.1 CCOC(=O)/C=C/CSCCCO 62a_100016267167_100011215043 [0,1,0,0,0,0|1,0,2]=4 2937 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100000233755_100016267167 [0,1,0,0,0,0|1,0,2]=4 2938 B12R0.1 CCOC(=O)/C=C/CSCCOC 62a_100016267167_100000233755 [0,1,0,0,0,0|1,0,2]=4 2939 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100000212216_100016267167 [0,1,0,0,0,0|1,0,2]=4 2940 B12R0.1 CCOC(=O)/C=C/CSCCSC 62a_100016267167_100000751147 [0,1,0,0,0,0|1,0,2]=4 2941 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [0,1,0,0,0,0|0,0,0]=1 2942 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [0,1,0,0,0,0|0,0,0]=1 2943 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [0,1,0,0,0,0|0,0,0]=1 2944 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [0,1,0,0,0,0|0,0,0]=1 2945 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [0,1,0,0,0,0|0,0,0]=1 2946 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [0,1,0,0,0,0|0,0,0]=1 2947 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [0,1,0,0,0,0|1,0,0]=2 2948 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [0,1,0,0,0,0|0,0,0]=1 2949 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [0,1,0,0,0,0|0,0,0]=1 2950 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [0,1,0,0,0,0|1,0,0]=2 2951 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [0,1,0,0,0,0|1,0,0]=2 2952 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [0,1,0,0,0,0|1,0,0]=2 2953 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [0,1,0,0,0,0|1,0,0]=2 2954 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [0,1,0,0,0,0|1,0,0]=2 2955 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [0,1,0,0,0,0|1,0,0]=2 2956 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [0,1,0,0,0,0|1,0,0]=2 2957 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100000750268_100011215382 [0,1,0,0,0,0|1,0,1]=3 2958 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100011215382_100000750268 [0,1,0,0,0,0|1,0,1]=3 2959 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [0,1,0,0,0,0|1,0,1]=3 2960 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [0,1,0,0,0,0|1,0,1]=3 2961 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [0,1,0,0,0,0|1,0,0]=2 2962 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [0,1,0,0,0,0|1,0,0]=2 2963 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [0,1,0,0,0,0|1,0,0]=2 2964 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [0,1,0,0,0,0|1,0,0]=2 2965 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [0,1,0,0,0,0|1,0,0]=2 2966 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [0,1,0,0,0,0|1,0,0]=2 2967 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [0,1,0,0,0,0|1,0,0]=2 2968 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [0,1,0,0,0,0|1,0,0]=2 2969 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [0,1,0,0,0,0|1,0,0]=2 2970 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [0,1,0,0,0,0|1,0,0]=2 2971 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [0,1,0,0,0,0|1,0,0]=2 2972 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [0,1,0,0,0,0|1,0,0]=2 2973 B12R0.1 CCOC(=O)CCCOCCC#N 7a_100012001163_100000184422 [0,1,0,0,0,0|1,0,1]=3 2974 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [0,1,0,0,0,0|1,0,0]=2 2975 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [0,1,0,0,0,0|1,0,0]=2 2976 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [0,1,0,0,0,0|1,0,0]=2 2977 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [0,1,0,0,0,0|1,0,0]=2 2978 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [0,1,0,0,0,0|1,0,0]=2 2979 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [0,1,0,0,0,0|1,0,0]=2 2980 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [0,1,0,0,0,0|1,0,0]=2 2981 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [0,1,0,0,0,0|1,0,0]=2 2982 B12R0.1 CCOC(=O)CCCOCCON 34a_100000700252_100009991533 [0,1,0,0,0,0|2,0,0]=3 2983 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [0,1,0,0,0,0|1,0,0]=2 2984 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [0,1,0,0,0,0|1,0,0]=2 2985 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [0,1,0,0,0,0|1,0,0]=2 2986 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100009991533_100011215226 [0,1,0,0,0,0|1,0,1]=3 2987 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100011215226_100009991533 [0,1,0,0,0,0|1,0,1]=3 2988 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [0,1,0,0,0,0|1,0,0]=2 2989 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [0,1,0,0,0,0|1,0,0]=2 2990 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [0,1,0,0,0,0|1,0,0]=2 2991 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [0,1,0,0,0,0|1,0,0]=2 2992 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [0,1,0,0,0,0|1,0,0]=2 2993 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [0,1,0,0,0,0|1,0,0]=2 2994 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [0,1,0,0,0,0|1,0,0]=2 2995 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [0,1,0,0,0,0|1,0,0]=2 2996 B12R0.1 CCOC(=O)CCCSCSC#N 62a_100000211825_100009991533 [0,1,0,0,0,0|2,0,1]=4 2997 B12R0.1 CCOC(=O)CCCSCSC#N 62a_100009991533_100000211825 [0,1,0,0,0,0|2,0,1]=4 2998 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [0,1,0,0,0,0|1,0,0]=2 2999 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [0,1,0,0,0,0|1,0,0]=2 3000 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [0,1,0,0,0,0|1,0,0]=2 3001 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [0,1,0,0,0,0|1,0,0]=2 3002 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [0,1,0,0,0,0|1,0,0]=2 3003 B12R0.1 CCOC(=O)CCOCC#CCCl 34a_200000047223_100000765890 [0,1,0,0,0,0|1,0,2]=4 3004 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [0,1,0,0,0,0|1,0,0]=2 3005 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [0,1,0,0,0,0|1,0,0]=2 3006 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [0,1,0,0,0,0|1,0,0]=2 3007 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [0,1,0,0,0,0|1,0,0]=2 3008 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [0,1,0,0,0,0|1,0,0]=2 3009 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [0,1,0,0,0,0|1,0,0]=2 3010 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [0,1,0,0,0,0|1,0,0]=2 3011 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [0,1,0,0,0,0|1,0,0]=2 3012 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [0,1,0,0,0,0|1,0,0]=2 3013 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [0,1,0,0,0,0|1,0,0]=2 3014 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [0,1,0,0,0,0|1,0,0]=2 3015 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [0,1,0,0,0,0|1,0,0]=2 3016 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [0,1,0,0,0,0|1,0,0]=2 3017 B12R0.1 CCOC(=O)CCSCC#CCO 62a_100000765890_200000047223 [0,1,0,0,0,0|1,0,2]=4 3018 B12R0.1 CCOC(=O)CCSCC#CCO 62a_200000047223_100000765890 [0,1,0,0,0,0|1,0,2]=4 3019 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [0,1,0,0,0,0|1,0,1]=3 3020 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [0,1,0,0,0,0|1,0,1]=3 3021 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [0,1,0,0,0,0|1,0,1]=3 3022 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [0,1,0,0,0,0|1,0,1]=3 3023 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [0,1,0,0,0,0|1,0,0]=2 3024 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [0,1,0,0,0,0|1,0,0]=2 3025 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [0,1,0,0,0,0|1,0,0]=2 3026 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [0,1,0,0,0,0|1,0,0]=2 3027 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [0,1,0,0,0,0|1,0,0]=2 3028 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [0,1,0,0,0,0|1,0,0]=2 3029 B12R0.1 CCOC(=O)CCSCCSC#N 62a_100000034367_100000765890 [0,1,0,0,0,0|2,0,1]=4 3030 B12R0.1 CCOC(=O)CCSCCSC#N 62a_100000765890_100000034367 [0,1,0,0,0,0|2,0,1]=4 3031 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [0,1,0,0,0,0|1,0,0]=2 3032 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [0,1,0,0,0,0|1,0,0]=2 3033 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [0,1,0,0,0,0|1,0,0]=2 3034 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [0,1,0,0,0,0|1,0,0]=2 3035 B12R0.1 CCOC(=O)CNCCCN=[N+]=[N-] 2230a_100000744732_100000188475 [0,1,0,0,0,0|3,0,0]=4 3036 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [0,1,0,0,0,0|2,0,0]=3 3037 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [0,1,0,0,0,0|2,0,0]=3 3038 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [0,1,0,0,0,0|2,0,0]=3 3039 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [0,1,0,0,0,0|1,0,0]=2 3040 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [0,1,0,0,0,0|1,0,0]=2 3041 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [0,1,0,0,0,0|1,0,0]=2 3042 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [0,1,0,0,0,0|1,0,0]=2 3043 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [0,1,0,0,0,0|1,0,0]=2 3044 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [0,1,0,0,0,0|1,0,0]=2 3045 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [0,1,0,0,0,0|1,0,0]=2 3046 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [0,1,0,0,0,0|1,0,0]=2 3047 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [0,1,0,0,0,0|1,0,0]=2 3048 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [0,1,0,0,0,0|1,0,0]=2 3049 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [0,1,0,0,0,0|1,0,0]=2 3050 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [0,1,0,0,0,0|1,0,0]=2 3051 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [0,1,0,0,0,0|1,0,0]=2 3052 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [0,1,0,0,0,0|1,0,0]=2 3053 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [0,1,0,0,0,0|2,0,0]=3 3054 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [0,1,0,0,0,0|2,0,0]=3 3055 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [0,1,0,0,0,0|2,0,0]=3 3056 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [0,1,0,0,0,0|2,0,0]=3 3057 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [0,1,0,0,0,0|2,0,0]=3 3058 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [0,1,0,0,0,0|2,0,0]=3 3059 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [0,1,0,0,0,0|2,0,0]=3 3060 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [0,1,0,0,0,0|2,0,0]=3 3061 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [0,1,0,0,0,0|2,0,0]=3 3062 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [0,1,0,0,0,0|2,0,0]=3 3063 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [0,1,0,0,0,0|2,0,0]=3 3064 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [0,1,0,0,0,0|2,0,0]=3 3065 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [0,1,0,0,0,0|2,0,0]=3 3066 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [0,1,0,0,0,0|2,0,0]=3 3067 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [0,1,0,0,0,0|2,0,0]=3 3068 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [0,1,0,0,0,0|2,0,0]=3 3069 B12R0.1 CCOC(=O)COCCSCC#N 62a_100000088970_100011215382 [0,1,0,0,0,0|2,0,1]=4 3070 B12R0.1 CCOC(=O)COCCSCC#N 62a_100011215382_100000088970 [0,1,0,0,0,0|2,0,1]=4 3071 B12R0.1 CCOC(=O)COCCSCC=O 62a_100000088970_200015260668 [0,1,0,0,0,0|2,0,1]=4 3072 B12R0.1 CCOC(=O)COCCSCC=O 62a_200015260668_100000088970 [0,1,0,0,0,0|2,0,1]=4 3073 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [0,1,0,0,0,0|2,0,0]=3 3074 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [0,1,0,0,0,0|2,0,0]=3 3075 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [0,1,0,0,0,0|2,0,0]=3 3076 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [0,1,0,0,0,0|2,0,0]=3 3077 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [0,1,0,0,0,0|2,0,0]=3 3078 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [0,1,0,0,0,0|2,0,0]=3 3079 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [0,1,0,0,0,0|2,0,0]=3 3080 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [0,1,0,0,0,0|2,0,0]=3 3081 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [0,1,0,0,0,0|1,0,1]=3 3082 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [0,1,0,0,0,0|1,0,1]=3 3083 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [0,1,0,0,0,0|1,0,1]=3 3084 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [0,1,0,0,0,0|1,0,1]=3 3085 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [0,1,0,0,0,0|1,0,0]=2 3086 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [0,1,0,0,0,0|1,0,0]=2 3087 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [0,1,0,0,0,0|1,0,0]=2 3088 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [0,1,0,0,0,0|1,0,0]=2 3089 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [0,1,0,0,0,0|1,0,0]=2 3090 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [0,1,0,0,0,0|1,0,0]=2 3091 B12R0.1 CCOC(=O)CSCCOCC#N 62a_100000188475_200000047693 [0,1,0,0,0,0|2,0,1]=4 3092 B12R0.1 CCOC(=O)CSCCOCC#N 62a_200000047693_100000188475 [0,1,0,0,0,0|2,0,1]=4 3093 B12R0.1 CCOC(=O)CSCCOCC#N 7a_200000230590_100011215382 [0,1,0,0,0,0|2,0,1]=4 3094 B12R0.1 CCOC(=O)CSCCOCC=O 7a_200000230590_200015260668 [0,1,0,0,0,0|2,0,1]=4 3095 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [0,1,0,0,0,0|2,0,0]=3 3096 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [0,1,0,0,0,0|2,0,0]=3 3097 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [0,1,0,0,0,0|2,0,0]=3 3098 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [0,1,0,0,0,0|2,0,0]=3 3099 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [0,1,0,0,0,0|2,0,0]=3 3100 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [0,1,0,0,0,0|2,0,0]=3 3101 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [0,1,0,0,0,0|2,0,0]=3 3102 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [0,1,0,0,0,0|2,0,0]=3 3103 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [0,1,0,0,0,0|2,0,0]=3 3104 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [0,1,0,0,0,0|2,0,0]=3 3105 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [0,1,0,0,0,0|2,0,0]=3 3106 B12R0.1 CCOC(=O)NCCSCCC#N 62a_100011215226_200011445536 [0,1,0,0,0,0|2,0,1]=4 3107 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [0,1,0,0,0,0|2,0,0]=3 3108 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [0,1,0,0,0,0|2,0,0]=3 3109 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [0,1,0,0,0,0|2,0,0]=3 3110 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [0,1,0,0,0,0|2,0,0]=3 3111 B12R0.1 CCOC(=O)OCSCCCC#N 62a_100000687738_100000075025 [0,1,0,0,0,0|2,0,1]=4 3112 B12R0.1 CCOC(=O)OCSCCCC=O 62a_200011292268_100000075025 [0,1,0,0,0,0|2,0,1]=4 3113 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [0,1,0,0,0,0|2,0,0]=3 3114 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [0,1,0,0,0,0|2,0,0]=3 3115 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [0,1,0,0,0,0|2,0,0]=3 3116 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [0,1,0,0,0,0|2,0,0]=3 3117 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [0,1,0,0,0,0|0,0,0]=1 3118 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [0,1,0,0,0,0|0,0,0]=1 3119 B12R0.1 CCOCCCNCC(=O)NCO 2230a_100000210961_100000185155 [0,1,0,0,0,0|3,0,0]=4 3120 B12R0.1 CCOCCCNCC(=O)NCO 34a_100000210961_100000185155 [0,1,0,0,0,0|3,0,0]=4 3121 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [0,1,0,0,0,0|1,0,0]=2 3122 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [0,1,0,0,0,0|1,0,0]=2 3123 B12R0.1 CCOCCCOCC(=O)NCO 34a_100000757476_100000185155 [0,1,0,0,0,0|3,0,0]=4 3124 B12R0.1 CCOCCCOCC(=O)NCO 7a_100000757476_100000185155 [0,1,0,0,0,0|3,0,0]=4 3125 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [0,1,0,0,0,0|1,0,0]=2 3126 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [0,1,0,0,0,0|1,0,0]=2 3127 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [0,1,0,0,0,0|1,0,0]=2 3128 B12R0.1 CCOCCCSCC(=O)NCO 62a_100000185155_100012232248 [0,1,0,0,0,0|3,0,0]=4 3129 B12R0.1 CCOCCCSCC(=O)NCO 62a_100012232248_100000185155 [0,1,0,0,0,0|3,0,0]=4 3130 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [0,1,0,0,0,0|1,0,0]=2 3131 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [0,1,0,0,0,0|1,0,0]=2 3132 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [0,1,0,0,0,0|1,0,0]=2 3133 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [0,1,0,0,0,0|1,0,0]=2 3134 B12R0.1 CCOCCNN=CC(=O)OCC 4a_100000732670_100000742314 [0,1,0,0,0,0|2,0,1]=4 3135 B12R0.1 CCOCCOCCC(=O)CCO 1458a_100011216618_100011211534 [0,1,0,0,0,0|3,0,0]=4 3136 B12R0.1 CCOCCOCCC(=O)COC 1458a_100000210968_100011211534 [0,1,0,0,0,0|3,0,0]=4 3137 B12R0.1 CCOCCOCCC(=O)CSC 1458a_100000184570_100011211534 [0,1,0,0,0,0|3,0,0]=4 3138 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [0,1,0,0,0,0|1,0,0]=2 3139 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [0,1,0,0,0,0|1,0,0]=2 3140 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [0,1,0,0,0,0|1,0,0]=2 3141 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [0,1,0,0,0,0|1,0,0]=2 3142 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [0,1,0,0,0,0|2,0,0]=3 3143 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100000739092_100016267167 [0,1,0,0,0,0|1,0,2]=4 3144 B12R0.1 CCOCSC/C=C/C(=O)OCC 62a_100016267167_100000739092 [0,1,0,0,0,0|1,0,2]=4 3145 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [0,1,0,0,0,0|1,0,0]=2 3146 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [0,1,0,0,0,0|1,0,0]=2 3147 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [0,1,0,0,0,0|2,0,0]=3 3148 B12R0.1 CCSCCCOCC(=O)NCO 34a_100011216438_100000185155 [0,1,0,0,0,0|3,0,0]=4 3149 B12R0.1 CCSCCCOCC(=O)NCO 7a_100011216438_100000185155 [0,1,0,0,0,0|3,0,0]=4 3150 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [0,1,0,0,0,0|2,0,0]=3 3151 B12R0.1 CNNC(=O)NCCCCCCO 273464a_100000686447_100016993582 [0,1,0,0,0,0|3,0,0]=4 3152 B12R0.1 CNNC(=O)NCCCCCCO 512a_100000686447_100016993582 [0,1,0,0,0,0|3,0,0]=4 3153 B12R0.1 CNNC(=O)NCCCCCCO 512a_100016993582_100000686447 [0,1,0,0,0,0|3,0,0]=4 3154 B12R0.1 CNNC(=O)NCCCCCOC 273464a_100000747528_100016993582 [0,1,0,0,0,0|3,0,0]=4 3155 B12R0.1 CNNC(=O)NCCCCCOC 512a_100000747528_100016993582 [0,1,0,0,0,0|3,0,0]=4 3156 B12R0.1 CNNC(=O)NCCCCCOC 512a_100016993582_100000747528 [0,1,0,0,0,0|3,0,0]=4 3157 B12R0.1 COCC(=O)CCCCCCC#N 1458a_100000210968_100009813337 [0,1,0,0,0,0|2,0,1]=4 3158 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [0,1,0,0,0,0|2,0,0]=3 3159 B12R0.1 COCC(=O)NCCCCCCO 240690a_100000686447_100000210968 [0,1,0,0,0,0|3,0,0]=4 3160 B12R0.1 COCC(=O)NCCCCCCO 527a_100000686447_100000210968 [0,1,0,0,0,0|3,0,0]=4 3161 B12R0.1 COCCCCCCC(=O)C=CBr 1458a_100016273825_100011998445 [0,1,0,0,0,0|2,0,1]=4 3162 B12R0.1 COCCCCCCC(=O)C=CCl 1458a_200016279998_100011998445 [0,1,0,0,0,0|2,0,1]=4 3163 B12R0.1 COCCCCCCC(=O)C=CI 1458a_100016256311_100011998445 [0,1,0,0,0,0|2,0,1]=4 3164 B12R0.1 COCCCCCCC(=O)CC#N 1458a_100051588842_100011998445 [0,1,0,0,0,0|2,0,1]=4 3165 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [0,1,0,0,0,0|2,0,0]=3 3166 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [0,1,0,0,0,0|2,0,0]=3 3167 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [0,1,0,0,0,0|2,0,0]=3 3168 B12R0.1 COCCCCCNC(=O)CCO 240690a_100000747528_100011216618 [0,1,0,0,0,0|3,0,0]=4 3169 B12R0.1 COCCCCCNC(=O)COC 11a_100000747528_100000210968 [0,1,0,0,0,0|3,0,0]=4 3170 B12R0.1 COCCCCCNC(=O)COC 1626a_100000747528_100000210968 [0,1,0,0,0,0|3,0,0]=4 3171 B12R0.1 COCCCCCNC(=O)COC 240690a_100000747528_100000210968 [0,1,0,0,0,0|3,0,0]=4 3172 B12R0.1 COCCCCCNC(=O)COC 527a_100000747528_100000210968 [0,1,0,0,0,0|3,0,0]=4 3173 B12R0.1 COCCCCCNC(=O)CSC 11a_100000747528_100000184570 [0,1,0,0,0,0|3,0,0]=4 3174 B12R0.1 COCCCCCNC(=O)CSC 1626a_100000747528_100000184570 [0,1,0,0,0,0|3,0,0]=4 3175 B12R0.1 COCCCCCNC(=O)CSC 240690a_100000747528_100000184570 [0,1,0,0,0,0|3,0,0]=4 3176 B12R0.1 COCCCCCNC(=O)CSC 527a_100000747528_100000184570 [0,1,0,0,0,0|3,0,0]=4 3177 B12R0.1 COCCCCOCC(=O)NCO 34a_100000740925_100000185155 [0,1,0,0,0,0|3,0,0]=4 3178 B12R0.1 COCCCCSCC(=O)NCO 62a_100000185155_100000730899 [0,1,0,0,0,0|3,0,0]=4 3179 B12R0.1 COCCCCSCC(=O)NCO 62a_100000730899_100000185155 [0,1,0,0,0,0|3,0,0]=4 3180 B12R0.1 COCCOCCCC(=O)CCO 1458a_100011216618_100011216529 [0,1,0,0,0,0|3,0,0]=4 3181 B12R0.1 COCCOCCCC(=O)COC 1458a_100000210968_100011216529 [0,1,0,0,0,0|3,0,0]=4 3182 B12R0.1 COCCOCCCC(=O)CSC 1458a_100000184570_100011216529 [0,1,0,0,0,0|3,0,0]=4 3183 B12R0.1 CSCC(=O)CCCCCCC#N 1458a_100000184570_100009813337 [0,1,0,0,0,0|2,0,1]=4 3184 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [0,1,0,0,0,0|2,0,0]=3 3185 B12R0.1 CSCC(=O)NCCCCCCO 240690a_100000686447_100000184570 [0,1,0,0,0,0|3,0,0]=4 3186 B12R0.1 CSCC(=O)NCCCCCCO 527a_100000686447_100000184570 [0,1,0,0,0,0|3,0,0]=4 3187 B12R0.1 CSCCCCOCC(=O)NCO 34a_100011217163_100000185155 [0,1,0,0,0,0|3,0,0]=4 3188 B12R0.1 CSCCCCOCC(=O)NCO 7a_100011217163_100000185155 [0,1,0,0,0,0|3,0,0]=4 3189 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100011219782_100011214920 [0,1,0,0,0,0|2,0,1]=4 3190 B12R0.1 N#CCC(=O)CCCCCCCO 1458a_100051588842_100000760002 [0,1,0,0,0,0|2,0,1]=4 3191 B12R0.1 N#CCCCCCCC(=O)CCO 1458a_100011216618_100009813337 [0,1,0,0,0,0|2,0,1]=4 3192 B12R0.1 NCCCCCOCC(=O)NCO 34a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 3193 B12R0.1 O=C(C=CBr)CCCCCCCO 1458a_100016273825_100000760002 [0,1,0,0,0,0|2,0,1]=4 3194 B12R0.1 O=C(C=CCl)CCCCCCCO 1458a_200016279998_100000760002 [0,1,0,0,0,0|2,0,1]=4 3195 B12R0.1 O=C(C=CI)CCCCCCCO 1458a_100016256311_100000760002 [0,1,0,0,0,0|2,0,1]=4 3196 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [0,1,0,0,0,0|2,0,0]=3 3197 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [0,1,0,0,0,0|2,0,0]=3 3198 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [0,1,0,0,0,0|2,0,0]=3 3199 B12R0.1 O=C(CCO)NCCCCCCO 240690a_100000686447_100011216618 [0,1,0,0,0,0|3,0,0]=4 3200 B12R0.1 O=C(CNCCCCCO)NCO 2230a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 3201 B12R0.1 O=C(CNCCCCCO)NCO 34a_100000762737_100000185155 [0,1,0,0,0,0|3,0,0]=4 3202 B12R0.1 O=C(COCCCCCBr)NCO 34a_100000746331_100000185155 [0,1,0,0,0,0|3,0,0]=4 3203 B12R0.1 O=C(COCCCCCBr)NCO 7a_100000746331_100000185155 [0,1,0,0,0,0|3,0,0]=4 3204 B12R0.1 O=C(COCCCCCCl)NCO 34a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 3205 B12R0.1 O=C(COCCCCCCl)NCO 7a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 3206 B12R0.1 O=C(COCCCCCI)NCO 34a_200012148887_100000185155 [0,1,0,0,0,0|3,0,0]=4 3207 B12R0.1 O=C(COCCCCCI)NCO 7a_200012148887_100000185155 [0,1,0,0,0,0|3,0,0]=4 3208 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000185155_100000729378 [0,1,0,0,0,0|3,0,0]=4 3209 B12R0.1 O=C(CSCCCCCF)NCO 62a_100000729378_100000185155 [0,1,0,0,0,0|3,0,0]=4 3210 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000185155_100000746330 [0,1,0,0,0,0|3,0,0]=4 3211 B12R0.1 O=C(CSCCCCCO)NCO 62a_100000746330_100000185155 [0,1,0,0,0,0|3,0,0]=4 3212 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000210554_100012094781 [0,1,0,0,0,0|1,0,2]=4 3213 B12R0.4 C#CCCCCCC(=O)CC(C)C 1458a_100000694772_100000210624 [0,1,0,0,0,0|1,0,2]=4 3214 B12R0.4 C#CCCCCCC(=O)CC(C)O 1458a_100000694772_100011218427 [0,1,0,0,0,0|1,0,2]=4 3215 B12R0.4 C#CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012094781 [0,1,0,0,0,0|1,0,2]=4 3216 B12R0.4 C#CCCCCCC(=O)NC(C)C 11a_100138425928_100000694772 [0,1,0,0,0,0|1,0,2]=4 3217 B12R0.4 C#CCCCCCC(=O)NC(C)C 1626a_100138425928_100000694772 [0,1,0,0,0,0|1,0,2]=4 3218 B12R0.4 C#CCCCCCC(=O)NC(C)C 240690a_100138425928_100000694772 [0,1,0,0,0,0|1,0,2]=4 3219 B12R0.4 C#CCCCCCC(=O)NC(C)C 527a_100138425928_100000694772 [0,1,0,0,0,0|1,0,2]=4 3220 B12R0.4 C#CCCCNCC(=O)OC(C)C 34a_100000718082_100011215430 [0,1,0,0,0,0|1,0,2]=4 3221 B12R0.4 C#CCCCOCC(=O)OC(C)C 34a_100000215630_100011215430 [0,1,0,0,0,0|1,0,2]=4 3222 B12R0.4 C#CCCCOCC(=O)OC(C)C 7a_100000215630_100011215430 [0,1,0,0,0,0|1,0,2]=4 3223 B12R0.4 C#CCCCSCC(=O)OC(C)C 62a_100011215417_100011215430 [0,1,0,0,0,0|1,0,2]=4 3224 B12R0.4 C#CCCCSCC(=O)OC(C)C 62a_100011215430_100011215417 [0,1,0,0,0,0|1,0,2]=4 3225 B12R0.4 C#CCCSCCC(=O)OC(C)C 62a_100000688953_100000760027 [0,1,0,0,0,0|1,0,2]=4 3226 B12R0.4 C#CCCSCCC(=O)OC(C)C 62a_100000760027_100000688953 [0,1,0,0,0,0|1,0,2]=4 3227 B12R0.4 C/C=C/CCOCC(=O)OC(C)C 34a_100016278192_100011215430 [0,1,0,0,0,0|1,0,2]=4 3228 B12R0.4 C/C=C/CSCCC(=O)OC(C)C 62a_100000760027_100102629194 [0,1,0,0,0,0|1,0,2]=4 3229 B12R0.4 C/C=C/CSCCC(=O)OC(C)C 62a_100102629194_100000760027 [0,1,0,0,0,0|1,0,2]=4 3230 B12R0.4 C=C(C)CC(=O)CCCCCCC 1458a_100000211969_100000748629 [0,1,0,0,0,0|1,0,1]=3 3231 B12R0.4 C=C(C)CC(=O)CCCCCCO 1458a_100011996774_100000748629 [0,1,0,0,0,0|2,0,1]=4 3232 B12R0.4 C=C(C)CC(=O)CCCCCOC 1458a_100011935119_100000748629 [0,1,0,0,0,0|2,0,1]=4 3233 B12R0.4 C=C(F)CC(=O)CCCCCCC 1458a_100000211969_100009893438 [0,1,0,0,0,0|1,0,2]=4 3234 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100000210554_100000700193 [0,1,0,0,0,0|1,0,2]=4 3235 B12R0.4 C=CCCCCCC(=O)CC(C)C 1458a_100011934241_100000210624 [0,1,0,0,0,0|1,0,2]=4 3236 B12R0.4 C=CCCCCCC(=O)CC(C)O 1458a_100011934241_100011218427 [0,1,0,0,0,0|1,0,2]=4 3237 B12R0.4 C=CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000700193 [0,1,0,0,0,0|1,0,2]=4 3238 B12R0.4 C=CCCCCCC(=O)NC(C)C 11a_100138425928_100011934241 [0,1,0,0,0,0|1,0,2]=4 3239 B12R0.4 C=CCCCCCC(=O)NC(C)C 1626a_100138425928_100011934241 [0,1,0,0,0,0|1,0,2]=4 3240 B12R0.4 C=CCCCCCC(=O)NC(C)C 240690a_100138425928_100011934241 [0,1,0,0,0,0|1,0,2]=4 3241 B12R0.4 C=CCCCCCC(=O)NC(C)C 527a_100138425928_100011934241 [0,1,0,0,0,0|1,0,2]=4 3242 B12R0.4 C=CCCCNCC(=O)OC(C)C 2230a_100000700776_100011215430 [0,1,0,0,0,0|1,0,2]=4 3243 B12R0.4 C=CCCCNCC(=O)OC(C)C 34a_100000700776_100011215430 [0,1,0,0,0,0|1,0,2]=4 3244 B12R0.4 C=CCCCOCC(=O)OC(C)C 34a_100000758997_100011215430 [0,1,0,0,0,0|1,0,2]=4 3245 B12R0.4 C=CCCCOCC(=O)OC(C)C 7a_100000758997_100011215430 [0,1,0,0,0,0|1,0,2]=4 3246 B12R0.4 C=CCCCSCC(=O)OC(C)C 62a_100011215430_100000757094 [0,1,0,0,0,0|1,0,2]=4 3247 B12R0.4 C=CCCCSCC(=O)OC(C)C 62a_100011713584_100011215430 [0,1,0,0,0,0|1,0,2]=4 3248 B12R0.4 C=CCCNCCC(=O)OC(C)C 2230a_100015191253_100000760027 [0,1,0,0,0,0|1,0,2]=4 3249 B12R0.4 C=CCCSCCC(=O)OC(C)C 62a_100000754431_100000760027 [0,1,0,0,0,0|1,0,2]=4 3250 B12R0.4 C=CCCSCCC(=O)OC(C)C 62a_100000760027_100000754431 [0,1,0,0,0,0|1,0,2]=4 3251 B12R0.4 CC#CCCOCC(=O)OC(C)C 34a_100000750427_100011215430 [0,1,0,0,0,0|1,0,2]=4 3252 B12R0.4 CC#CCNCCC(=O)OC(C)C 2230a_100000685387_100000760027 [0,1,0,0,0,0|1,0,2]=4 3253 B12R0.4 CC#CCSCCC(=O)OC(C)C 62a_100000748600_100000760027 [0,1,0,0,0,0|1,0,2]=4 3254 B12R0.4 CC#CCSCCC(=O)OC(C)C 62a_100000760027_100000748600 [0,1,0,0,0,0|1,0,2]=4 3255 B12R0.4 CC(=CC(=O)CCCCCCF)C 1458a_100000211388_100015922095 [0,1,0,0,0,0|2,0,1]=4 3256 B12R0.4 CC(=CC(=O)CCCCCCF)Cl 1458a_200042562850_100015922095 [0,1,0,0,0,0|2,0,1]=4 3257 B12R0.4 CC(=CC(=O)CCCCCCF)I 1458a_100025716642_100015922095 [0,1,0,0,0,0|2,0,1]=4 3258 B12R0.4 CC(=CC(=O)CCCCCCO)C 1458a_100000211388_100000766143 [0,1,0,0,0,0|2,0,1]=4 3259 B12R0.4 CC(=CC(=O)CCCCCCO)Cl 1458a_200042562850_100000766143 [0,1,0,0,0,0|2,0,1]=4 3260 B12R0.4 CC(=CC(=O)CCCCCCO)I 1458a_100025716642_100000766143 [0,1,0,0,0,0|2,0,1]=4 3261 B12R0.4 CC(C)CC(=O)CCCCCC#N 1458a_100000210554_100009813376 [0,1,0,0,0,0|2,0,1]=4 3262 B12R0.4 CC(C)CC(=O)CCCCCCF 1458a_100000210554_100015922095 [0,1,0,0,0,0|2,0,0]=3 3263 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100000210554_100000766143 [0,1,0,0,0,0|2,0,0]=3 3264 B12R0.4 CC(C)CC(=O)CCCCCCO 1458a_100011996774_100000210624 [0,1,0,0,0,0|2,0,0]=3 3265 B12R0.4 CC(C)CC(=O)NCCCCCO 240690a_100000762737_100000210554 [0,1,0,0,0,0|3,0,0]=4 3266 B12R0.4 CC(C)NC(=O)CCCCCCO 240690a_100138425928_100011996774 [0,1,0,0,0,0|2,0,0]=3 3267 B12R0.4 CC(C)NC(=O)CCNCCCF 2230a_100015189416_100000737564 [0,1,0,0,0,0|3,0,0]=4 3268 B12R0.4 CC(C)NC(=O)CCSCCCF 62a_100000737564_100011934791 [0,1,0,0,0,0|3,0,0]=4 3269 B12R0.4 CC(C)NC(=O)CCSCCCF 62a_100011934791_100000737564 [0,1,0,0,0,0|3,0,0]=4 3270 B12R0.4 CC(C)NC(=O)CCSCCCO 62a_100000737564_100011215043 [0,1,0,0,0,0|3,0,0]=4 3271 B12R0.4 CC(C)NC(=O)CCSCCCO 62a_100011215043_100000737564 [0,1,0,0,0,0|3,0,0]=4 3272 B12R0.4 CC(C)NC(=O)CNCCCCF 2230a_100000168517_100000729493 [0,1,0,0,0,0|3,0,0]=4 3273 B12R0.4 CC(C)NC(=O)CNCCCCO 2230a_100000168517_100000210776 [0,1,0,0,0,0|3,0,0]=4 3274 B12R0.4 CC(C)NC(=O)CNCCCCO 2230a_100000750430_100000183996 [0,1,0,0,0,0|3,0,0]=4 3275 B12R0.4 CC(C)NC(=O)CNCCCCO 34a_100000750430_100000183996 [0,1,0,0,0,0|3,0,0]=4 3276 B12R0.4 CC(C)NC(=O)COCCCCBr 34a_100011216708_100000183996 [0,1,0,0,0,0|3,0,0]=4 3277 B12R0.4 CC(C)NC(=O)COCCCCCl 34a_100000210776_100000183996 [0,1,0,0,0,0|3,0,0]=4 3278 B12R0.4 CC(C)NC(=O)COCCCCCl 7a_100000210776_100000183996 [0,1,0,0,0,0|3,0,0]=4 3279 B12R0.4 CC(C)NC(=O)COCCCCF 34a_100011995726_100000183996 [0,1,0,0,0,0|3,0,0]=4 3280 B12R0.4 CC(C)NC(=O)COCCCCF 7a_100011995726_100000183996 [0,1,0,0,0,0|3,0,0]=4 3281 B12R0.4 CC(C)NC(=O)COCCCCI 34a_200012148704_100000183996 [0,1,0,0,0,0|3,0,0]=4 3282 B12R0.4 CC(C)NC(=O)COCCCCN 34a_100000750430_100000183996 [0,1,0,0,0,0|3,0,0]=4 3283 B12R0.4 CC(C)NC(=O)CSCCCCF 62a_100000183996_100000729493 [0,1,0,0,0,0|3,0,0]=4 3284 B12R0.4 CC(C)NC(=O)CSCCCCF 62a_100000729493_100000183996 [0,1,0,0,0,0|3,0,0]=4 3285 B12R0.4 CC(C)NC(=O)CSCCCCO 62a_100000183996_100000210776 [0,1,0,0,0,0|3,0,0]=4 3286 B12R0.4 CC(C)NC(=O)CSCCCCO 62a_100000210776_100000183996 [0,1,0,0,0,0|3,0,0]=4 3287 B12R0.4 CC(C)NC(=O)NCCCCCO 2708a_100138425928_100000762737 [0,1,0,0,0,0|3,0,0]=4 3288 B12R0.4 CC(C)NC(=O)NCCCCCO 273464a_100138425928_100000762737 [0,1,0,0,0,0|3,0,0]=4 3289 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100000762737_100138425928 [0,1,0,0,0,0|3,0,0]=4 3290 B12R0.4 CC(C)NC(=O)NCCCCCO 512a_100138425928_100000762737 [0,1,0,0,0,0|3,0,0]=4 3291 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200010986244_200025704644 [0,1,0,0,0,0|1,0,0]=2 3292 B12R0.4 CC(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_200010986244 [0,1,0,0,0,0|1,0,0]=2 3293 B12R0.4 CC(C)OC(=O)CCNCCCF 2230a_100015189416_100000760027 [0,1,0,0,0,0|2,0,0]=3 3294 B12R0.4 CC(C)OC(=O)CCSCCC#N 62a_100000760027_100011215226 [0,1,0,0,0,0|2,0,1]=4 3295 B12R0.4 CC(C)OC(=O)CCSCCC#N 62a_100011215226_100000760027 [0,1,0,0,0,0|2,0,1]=4 3296 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100000760027_100011934791 [0,1,0,0,0,0|2,0,0]=3 3297 B12R0.4 CC(C)OC(=O)CCSCCCF 62a_100011934791_100000760027 [0,1,0,0,0,0|2,0,0]=3 3298 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100000760027_100011215043 [0,1,0,0,0,0|2,0,0]=3 3299 B12R0.4 CC(C)OC(=O)CCSCCCO 62a_100011215043_100000760027 [0,1,0,0,0,0|2,0,0]=3 3300 B12R0.4 CC(C)OC(=O)CNCCCCO 2230a_100000750430_100011215430 [0,1,0,0,0,0|2,0,0]=3 3301 B12R0.4 CC(C)OC(=O)CNCCCCO 34a_100000750430_100011215430 [0,1,0,0,0,0|2,0,0]=3 3302 B12R0.4 CC(C)OC(=O)COCCCCBr 34a_100011216708_100011215430 [0,1,0,0,0,0|2,0,0]=3 3303 B12R0.4 CC(C)OC(=O)COCCCCCl 34a_100000210776_100011215430 [0,1,0,0,0,0|2,0,0]=3 3304 B12R0.4 CC(C)OC(=O)COCCCCCl 7a_100000210776_100011215430 [0,1,0,0,0,0|2,0,0]=3 3305 B12R0.4 CC(C)OC(=O)COCCCCF 34a_100011995726_100011215430 [0,1,0,0,0,0|2,0,0]=3 3306 B12R0.4 CC(C)OC(=O)COCCCCF 7a_100011995726_100011215430 [0,1,0,0,0,0|2,0,0]=3 3307 B12R0.4 CC(C)OC(=O)COCCCCI 34a_200012148704_100011215430 [0,1,0,0,0,0|2,0,0]=3 3308 B12R0.4 CC(C)OC(=O)COCCCCN 34a_100000750430_100011215430 [0,1,0,0,0,0|2,0,0]=3 3309 B12R0.4 CC(C)OC(=O)CSCCCC#N 62a_100000687738_100011215430 [0,1,0,0,0,0|2,0,1]=4 3310 B12R0.4 CC(C)OC(=O)CSCCCC#N 62a_100011215430_100000687738 [0,1,0,0,0,0|2,0,1]=4 3311 B12R0.4 CC(C)OC(=O)CSCCCC=O 62a_100011215430_200011292268 [0,1,0,0,0,0|2,0,1]=4 3312 B12R0.4 CC(C)OC(=O)CSCCCC=O 62a_200011292268_100011215430 [0,1,0,0,0,0|2,0,1]=4 3313 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100000729493_100011215430 [0,1,0,0,0,0|2,0,0]=3 3314 B12R0.4 CC(C)OC(=O)CSCCCCF 62a_100011215430_100000729493 [0,1,0,0,0,0|2,0,0]=3 3315 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100000210776_100011215430 [0,1,0,0,0,0|2,0,0]=3 3316 B12R0.4 CC(C)OC(=O)CSCCCCO 62a_100011215430_100000210776 [0,1,0,0,0,0|2,0,0]=3 3317 B12R0.4 CC(C)OC(=O)OCSCCCF 62a_100000003507_100011934791 [0,1,0,0,0,0|3,0,0]=4 3318 B12R0.4 CC(C)OC(=O)OCSCCCF 62a_100011934791_100000003507 [0,1,0,0,0,0|3,0,0]=4 3319 B12R0.4 CC(C)OC(=O)OCSCCCO 62a_100000003507_100011215043 [0,1,0,0,0,0|3,0,0]=4 3320 B12R0.4 CC(C)OC(=O)OCSCCCO 62a_100011215043_100000003507 [0,1,0,0,0,0|3,0,0]=4 3321 B12R0.4 CC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218427 [0,1,0,0,0,0|2,0,0]=3 3322 B12R0.4 CC/C=C\COCC(=O)OC(C)C 34a_100016268518_100011215430 [0,1,0,0,0,0|1,0,2]=4 3323 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100011215430_100103147603 [0,1,0,0,0,0|1,0,2]=4 3324 B12R0.4 CC/C=C\CSCC(=O)OC(C)C 62a_100103147603_100011215430 [0,1,0,0,0,0|1,0,2]=4 3325 B12R0.4 CC=CCSCCC(=O)OC(C)C 62a_100000070051_100000760027 [0,1,0,0,0,0|1,0,2]=4 3326 B12R0.4 CC=CCSCCC(=O)OC(C)C 62a_100000760027_100000070051 [0,1,0,0,0,0|1,0,2]=4 3327 B12R0.4 CCC#CCOCC(=O)OC(C)C 34a_100000032950_100011215430 [0,1,0,0,0,0|1,0,2]=4 3328 B12R0.4 CCC#CCSCC(=O)OC(C)C 62a_100009813939_100011215430 [0,1,0,0,0,0|1,0,2]=4 3329 B12R0.4 CCC#CCSCC(=O)OC(C)C 62a_100011215430_100009813939 [0,1,0,0,0,0|1,0,2]=4 3330 B12R0.4 CCCC/C=C/CC(=O)CC(C)C 1458a_200016282684_100000210624 [0,1,0,0,0,0|1,0,2]=4 3331 B12R0.4 CCCC/C=C/CC(=O)CC(C)O 1458a_200016282684_100011218427 [0,1,0,0,0,0|1,0,2]=4 3332 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016282684 [0,1,0,0,0,0|1,0,2]=4 3333 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016282684 [0,1,0,0,0,0|1,0,2]=4 3334 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016282684 [0,1,0,0,0,0|1,0,2]=4 3335 B12R0.4 CCCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016282684 [0,1,0,0,0,0|1,0,2]=4 3336 B12R0.4 CCCCCC#CC(=O)CC(C)C 1458a_100011215388_100000210624 [0,1,0,0,0,0|1,0,2]=4 3337 B12R0.4 CCCCCC#CC(=O)CC(C)O 1458a_100011215388_100011218427 [0,1,0,0,0,0|1,0,2]=4 3338 B12R0.4 CCCCCC#CC(=O)NC(C)C 240690a_100138425928_100011215388 [0,1,0,0,0,0|1,0,2]=4 3339 B12R0.4 CCCCCC=CC(=O)CC(C)C 1458a_100016263427_100000210624 [0,1,0,0,0,0|1,0,2]=4 3340 B12R0.4 CCCCCC=CC(=O)CC(C)O 1458a_100016263427_100011218427 [0,1,0,0,0,0|1,0,2]=4 3341 B12R0.4 CCCCCC=CC(=O)NC(C)C 11a_100138425928_100016263427 [0,1,0,0,0,0|1,0,2]=4 3342 B12R0.4 CCCCCC=CC(=O)NC(C)C 1626a_100138425928_100016263427 [0,1,0,0,0,0|1,0,2]=4 3343 B12R0.4 CCCCCC=CC(=O)NC(C)C 240690a_100138425928_100016263427 [0,1,0,0,0,0|1,0,2]=4 3344 B12R0.4 CCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210614 [0,1,0,0,0,0|1,0,1]=3 3345 B12R0.4 CCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210614 [0,1,0,0,0,0|1,0,1]=3 3346 B12R0.4 CCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210614 [0,1,0,0,0,0|1,0,1]=3 3347 B12R0.4 CCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210614 [0,1,0,0,0,0|2,0,1]=4 3348 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100000211969_100000187820 [0,1,0,0,0,0|2,0,1]=4 3349 B12R0.4 CCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210614 [0,1,0,0,0,0|2,0,1]=4 3350 B12R0.4 CCCCCCCC(=O)CC(=O)[O-] 1458a_100000211969_100020667443 [0,1,0,0,0,0|2,0,1]=4 3351 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210614 [0,1,0,0,0,0|1,0,0]=2 3352 B12R0.4 CCCCCCCC(=O)CC(C)C 1458a_100000211969_100000210624 [0,1,0,0,0,0|1,0,0]=2 3353 B12R0.4 CCCCCCCC(=O)CC(C)O 1458a_100000211969_100011218427 [0,1,0,0,0,0|1,0,0]=2 3354 B12R0.4 CCCCCCCC(=O)CC(F)F 1458a_100000211969_100011934356 [0,1,0,0,0,0|2,0,0]=3 3355 B12R0.4 CCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210614 [0,1,0,0,0,0|2,0,0]=3 3356 B12R0.4 CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210614 [0,1,0,0,0,0|1,0,0]=2 3357 B12R0.4 CCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000211969_100000761209 [0,1,0,0,0,0|3,0,0]=4 3358 B12R0.4 CCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210614 [0,1,0,0,0,0|2,0,0]=3 3359 B12R0.4 CCCCCCCC(=O)NC(C)C 11a_100138425928_100000211969 [0,1,0,0,0,0|1,0,0]=2 3360 B12R0.4 CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211969 [0,1,0,0,0,0|1,0,0]=2 3361 B12R0.4 CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211969 [0,1,0,0,0,0|1,0,0]=2 3362 B12R0.4 CCCCCCCC(=O)NC(C)C 527a_100138425928_100000211969 [0,1,0,0,0,0|1,0,0]=2 3363 B12R0.4 CCCCCCCC(C)NC(C)C 2230a_100138425928_200011218727 [0,1,0,0,0,0|2,0,1]=4 3364 B12R0.4 CCCCCCCC(C)NC(C)C 34a_100138425928_200011218727 [0,1,0,0,0,0|2,0,1]=4 3365 B12R0.4 CCCCCCCC(C)OC(C)C 34a_100000212225_200011218727 [0,1,0,0,0,0|1,0,1]=3 3366 B12R0.4 CCCCCCCC(C)OC(C)C 34a_200011215852_100000210206 [0,1,0,0,0,0|1,0,1]=3 3367 B12R0.4 CCCCCCCC(C)OC(C)C 7a_200011215852_100000210206 [0,1,0,0,0,0|1,0,1]=3 3368 B12R0.4 CCCCCCCC(C)SC(C)C 62a_100000210206_200011218727 [0,1,0,0,0,0|1,1,1]=4 3369 B12R0.4 CCCCCCCC(C)SC(C)C 62a_200011218727_100000210206 [0,1,0,0,0,0|1,1,1]=4 3370 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000228206_100000210760 [0,1,0,0,0,0|3,0,0]=4 3371 B12R0.4 CCCCCCCN(C)CC(C)C 2230a_100000747067_100000210681 [0,1,0,0,0,0|3,0,0]=4 3372 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000228206_100000210624 [0,1,0,0,0,0|3,0,0]=4 3373 B12R0.4 CCCCCCCN(C)CC(C)C 269982a_100000747067_100000210681 [0,1,0,0,0,0|3,0,0]=4 3374 B12R0.4 CCCCCCCN(C)CC(C)C 270004a_100000228206_100000210432 [0,1,0,0,0,0|3,0,0]=4 3375 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000227577_100000210681 [0,1,0,0,0,0|3,0,0]=4 3376 B12R0.4 CCCCCCCN(C)CC(C)O 2230a_100000228206_100011218427 [0,1,0,0,0,0|3,0,0]=4 3377 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000227577_100000210681 [0,1,0,0,0,0|3,0,0]=4 3378 B12R0.4 CCCCCCCN(C)CC(C)O 269982a_100000228206_100011218427 [0,1,0,0,0,0|3,0,0]=4 3379 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 2230a_100000228206_100009817552 [0,1,0,0,0,0|3,0,0]=4 3380 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 269982a_100000228206_100009817552 [0,1,0,0,0,0|3,0,0]=4 3381 B12R0.4 CCCCCCNC(=O)C=C(C)C 11a_100000210581_100000211388 [0,1,0,0,0,0|2,0,1]=4 3382 B12R0.4 CCCCCCNC(=O)C=C(C)C 1626a_100000210581_100000211388 [0,1,0,0,0,0|2,0,1]=4 3383 B12R0.4 CCCCCCNC(=O)C=C(C)C 240690a_100000210581_100000211388 [0,1,0,0,0,0|2,0,1]=4 3384 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 11a_100000210581_200042562850 [0,1,0,0,0,0|2,0,1]=4 3385 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 1626a_100000210581_200042562850 [0,1,0,0,0,0|2,0,1]=4 3386 B12R0.4 CCCCCCNC(=O)C=C(C)Cl 240690a_100000210581_200042562850 [0,1,0,0,0,0|2,0,1]=4 3387 B12R0.4 CCCCCCNC(=O)C=C(C)I 11a_100000210581_100025716642 [0,1,0,0,0,0|2,0,1]=4 3388 B12R0.4 CCCCCCNC(=O)C=C(C)I 1626a_100000210581_100025716642 [0,1,0,0,0,0|2,0,1]=4 3389 B12R0.4 CCCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230325 [0,1,0,0,0,0|2,0,1]=4 3390 B12R0.4 CCCCCCNC(=O)CC(C)C 11a_100000210581_100000210554 [0,1,0,0,0,0|2,0,0]=3 3391 B12R0.4 CCCCCCNC(=O)CC(C)C 1626a_100000210581_100000210554 [0,1,0,0,0,0|2,0,0]=3 3392 B12R0.4 CCCCCCNC(=O)CC(C)C 240690a_100000210581_100000210554 [0,1,0,0,0,0|2,0,0]=3 3393 B12R0.4 CCCCCCNC(=O)CC(C)C 527a_100000210581_100000210554 [0,1,0,0,0,0|2,0,0]=3 3394 B12R0.4 CCCCCCNC(=O)CN(C)C 11a_100000210581_100000750896 [0,1,0,0,0,0|3,0,0]=4 3395 B12R0.4 CCCCCCNC(=O)CN(C)C 2230a_100102631434_100000230325 [0,1,0,0,0,0|3,0,0]=4 3396 B12R0.4 CCCCCCNC(=O)CN(C)C 240690a_100000210581_100000750896 [0,1,0,0,0,0|3,0,0]=4 3397 B12R0.4 CCCCCCNC(=O)CN(C)C 269982a_100102631434_100000230325 [0,1,0,0,0,0|3,0,0]=4 3398 B12R0.4 CCCCCCNC(=O)CN(C)C 527a_100000210581_100000750896 [0,1,0,0,0,0|3,0,0]=4 3399 B12R0.4 CCCCCCNC(=O)C[C@@H](C)O 240690a_100000210581_100011933948 [0,1,0,0,0,0|2,0,0]=3 3400 B12R0.4 CCCCCCNC(=O)C[S+](C)C 11a_100000210581_200159257847 [0,1,0,0,0,0|3,0,0]=4 3401 B12R0.4 CCCCCCNC(=O)C[S+](C)C 1626a_100000210581_200159257847 [0,1,0,0,0,0|3,0,0]=4 3402 B12R0.4 CCCCCCNC(=O)C[S+](C)C 240690a_100000210581_200159257847 [0,1,0,0,0,0|3,0,0]=4 3403 B12R0.4 CCCCCCNC(=O)C[S+](C)C 527a_100000210581_200159257847 [0,1,0,0,0,0|3,0,0]=4 3404 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100000210581_100138425928 [0,1,0,0,0,0|2,0,0]=3 3405 B12R0.4 CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000210581 [0,1,0,0,0,0|2,0,0]=3 3406 B12R0.4 CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000210581 [0,1,0,0,0,0|2,0,0]=3 3407 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100000210581_100138425928 [0,1,0,0,0,0|2,0,0]=3 3408 B12R0.4 CCCCCCNC(=O)NC(C)C 512a_100138425928_100000210581 [0,1,0,0,0,0|2,0,0]=3 3409 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210326 [0,1,0,0,0,0|2,0,0]=3 3410 B12R0.4 CCCCCNCC(=O)NC(C)C 2230a_100000209983_100000183996 [0,1,0,0,0,0|2,0,0]=3 3411 B12R0.4 CCCCCNCC(=O)OC(C)C 2230a_100000209983_100011215430 [0,1,0,0,0,0|1,0,0]=2 3412 B12R0.4 CCCCCNNC(=O)CC(C)C 22a_100000694160_100000210554 [0,1,0,0,0,0|3,0,0]=4 3413 B12R0.4 CCCCCNNC(=O)C[C@@H](C)O 22a_100000694160_100011933948 [0,1,0,0,0,0|3,0,0]=4 3414 B12R0.4 CCCCCNNC(=O)NC(C)C 273464a_100138425928_100000694160 [0,1,0,0,0,0|3,0,0]=4 3415 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100000694160_100138425928 [0,1,0,0,0,0|3,0,0]=4 3416 B12R0.4 CCCCCNNC(=O)NC(C)C 512a_100138425928_100000694160 [0,1,0,0,0,0|3,0,0]=4 3417 B12R0.4 CCCCCOCC(=O)NC(=O)C 7a_100000210253_100000183797 [0,1,0,0,0,0|2,0,1]=4 3418 B12R0.4 CCCCCOCC(=O)NC(C)C 34a_100000210253_100000183996 [0,1,0,0,0,0|2,0,0]=3 3419 B12R0.4 CCCCCOCC(=O)NC(C)C 7a_100000210253_100000183996 [0,1,0,0,0,0|2,0,0]=3 3420 B12R0.4 CCCCCOCC(=O)OC(C)C 34a_100000210253_100011215430 [0,1,0,0,0,0|1,0,0]=2 3421 B12R0.4 CCCCCOCC(=O)OC(C)C 7a_100000210253_100011215430 [0,1,0,0,0,0|1,0,0]=2 3422 B12R0.4 CCCCCSCC(=O)NC(=O)C 62a_100000210326_100000183797 [0,1,0,0,0,0|2,0,1]=4 3423 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210326 [0,1,0,0,0,0|2,0,0]=3 3424 B12R0.4 CCCCCSCC(=O)NC(C)C 62a_100000210326_100000183996 [0,1,0,0,0,0|2,0,0]=3 3425 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100000210326_100011215430 [0,1,0,0,0,0|1,0,0]=2 3426 B12R0.4 CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210326 [0,1,0,0,0,0|1,0,0]=2 3427 B12R0.4 CCCCNCCC(=O)NC(C)C 2230a_100000102301_100000737564 [0,1,0,0,0,0|2,0,0]=3 3428 B12R0.4 CCCCNCCC(=O)NC(C)C 7a_106832991798_100000737564 [0,1,0,0,0,0|2,0,0]=3 3429 B12R0.4 CCCCNCCC(=O)OC(C)C 2230a_100000102301_100000760027 [0,1,0,0,0,0|1,0,0]=2 3430 B12R0.4 CCCCNCCC(=O)OC(C)C 7a_106832991798_100000760027 [0,1,0,0,0,0|1,0,0]=2 3431 B12R0.4 CCCCOCCC(=O)C=C(C)C 1458a_100000211388_100000743108 [0,1,0,0,0,0|2,0,1]=4 3432 B12R0.4 CCCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100000743108 [0,1,0,0,0,0|2,0,1]=4 3433 B12R0.4 CCCCOCCC(=O)C=C(C)I 1458a_100025716642_100000743108 [0,1,0,0,0,0|2,0,1]=4 3434 B12R0.4 CCCCOCCC(=O)CC(C)C 1458a_100000210554_100000743108 [0,1,0,0,0,0|2,0,0]=3 3435 B12R0.4 CCCCOCCC(=O)CN(C)C 1458a_100000750896_100000743108 [0,1,0,0,0,0|3,0,0]=4 3436 B12R0.4 CCCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000743108 [0,1,0,0,0,0|2,0,0]=3 3437 B12R0.4 CCCCOCCC(=O)C[S+](C)C 1458a_200159257847_100000743108 [0,1,0,0,0,0|3,0,0]=4 3438 B12R0.4 CCCCOCCC(=O)NC(C)C 7a_100000210227_100000737564 [0,1,0,0,0,0|2,0,0]=3 3439 B12R0.4 CCCCOCCC(=O)OC(C)C 7a_100000210227_100000760027 [0,1,0,0,0,0|1,0,0]=2 3440 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000210211_100000737564 [0,1,0,0,0,0|2,0,0]=3 3441 B12R0.4 CCCCSCCC(=O)NC(C)C 62a_100000737564_100000210210 [0,1,0,0,0,0|2,0,0]=3 3442 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000210211_100000760027 [0,1,0,0,0,0|1,0,0]=2 3443 B12R0.4 CCCCSCCC(=O)OC(C)C 62a_100000760027_100000210210 [0,1,0,0,0,0|1,0,0]=2 3444 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000003507_100000210210 [0,1,0,0,0,0|2,0,0]=3 3445 B12R0.4 CCCCSCOC(=O)OC(C)C 62a_100000210211_100000003507 [0,1,0,0,0,0|2,0,0]=3 3446 B12R0.4 CCCOCCNC(=O)CC(C)C 1626a_100161115042_100000210554 [0,1,0,0,0,0|3,0,0]=4 3447 B12R0.4 CCCOCCNC(=O)CC(C)C 240690a_100161115042_100000210554 [0,1,0,0,0,0|3,0,0]=4 3448 B12R0.4 CCCOCCNC(=O)CC(C)C 527a_100161115042_100000210554 [0,1,0,0,0,0|3,0,0]=4 3449 B12R0.4 CCCOCCNC(=O)C[C@@H](C)O 240690a_100161115042_100011933948 [0,1,0,0,0,0|3,0,0]=4 3450 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100138425928_100161115042 [0,1,0,0,0,0|3,0,0]=4 3451 B12R0.4 CCCOCCNC(=O)NC(C)C 2708a_100161115042_100138425928 [0,1,0,0,0,0|3,0,0]=4 3452 B12R0.4 CCCOCCNC(=O)NC(C)C 273464a_100138425928_100161115042 [0,1,0,0,0,0|3,0,0]=4 3453 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100138425928_100161115042 [0,1,0,0,0,0|3,0,0]=4 3454 B12R0.4 CCCOCCNC(=O)NC(C)C 512a_100161115042_100138425928 [0,1,0,0,0,0|3,0,0]=4 3455 B12R0.4 CCCSCCNC(=O)CC(C)C 11a_100020603323_100000210554 [0,1,0,0,0,0|3,0,0]=4 3456 B12R0.4 CCCSCCNC(=O)CC(C)C 240690a_100020603323_100000210554 [0,1,0,0,0,0|3,0,0]=4 3457 B12R0.4 CCCSCCNC(=O)CC(C)C 527a_100020603323_100000210554 [0,1,0,0,0,0|3,0,0]=4 3458 B12R0.4 CCCSCCNC(=O)C[C@@H](C)O 240690a_100020603323_100011933948 [0,1,0,0,0,0|3,0,0]=4 3459 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100020603323_100138425928 [0,1,0,0,0,0|3,0,0]=4 3460 B12R0.4 CCCSCCNC(=O)NC(C)C 2708a_100138425928_100020603323 [0,1,0,0,0,0|3,0,0]=4 3461 B12R0.4 CCCSCCNC(=O)NC(C)C 273464a_100138425928_100020603323 [0,1,0,0,0,0|3,0,0]=4 3462 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100020603323_100138425928 [0,1,0,0,0,0|3,0,0]=4 3463 B12R0.4 CCCSCCNC(=O)NC(C)C 512a_100138425928_100020603323 [0,1,0,0,0,0|3,0,0]=4 3464 B12R0.4 CCOCCCNC(=O)CC(C)C 11a_100000210961_100000210554 [0,1,0,0,0,0|3,0,0]=4 3465 B12R0.4 CCOCCCNC(=O)CC(C)C 1626a_100000210961_100000210554 [0,1,0,0,0,0|3,0,0]=4 3466 B12R0.4 CCOCCCNC(=O)CC(C)C 240690a_100000210961_100000210554 [0,1,0,0,0,0|3,0,0]=4 3467 B12R0.4 CCOCCCNC(=O)CC(C)C 527a_100000210961_100000210554 [0,1,0,0,0,0|3,0,0]=4 3468 B12R0.4 CCOCCCNC(=O)C[C@@H](C)O 240690a_100000210961_100011933948 [0,1,0,0,0,0|3,0,0]=4 3469 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100000210961_100138425928 [0,1,0,0,0,0|3,0,0]=4 3470 B12R0.4 CCOCCCNC(=O)NC(C)C 2708a_100138425928_100000210961 [0,1,0,0,0,0|3,0,0]=4 3471 B12R0.4 CCOCCCNC(=O)NC(C)C 273464a_100138425928_100000210961 [0,1,0,0,0,0|3,0,0]=4 3472 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100000210961_100138425928 [0,1,0,0,0,0|3,0,0]=4 3473 B12R0.4 CCOCCCNC(=O)NC(C)C 512a_100138425928_100000210961 [0,1,0,0,0,0|3,0,0]=4 3474 B12R0.4 CCOCCNCC(=O)NC(C)C 2230a_100000168517_100011215890 [0,1,0,0,0,0|3,0,0]=4 3475 B12R0.4 CCOCCNCC(=O)NC(C)C 2230a_102516460346_100000183996 [0,1,0,0,0,0|3,0,0]=4 3476 B12R0.4 CCOCCNCC(=O)NC(C)C 34a_102516460346_100000183996 [0,1,0,0,0,0|3,0,0]=4 3477 B12R0.4 CCOCCNCC(=O)OC(C)C 2230a_102516460346_100011215430 [0,1,0,0,0,0|2,0,0]=3 3478 B12R0.4 CCOCCNCC(=O)OC(C)C 34a_102516460346_100011215430 [0,1,0,0,0,0|2,0,0]=3 3479 B12R0.4 CCOCCOCC(=O)NC(C)C 34a_100000210136_100000183996 [0,1,0,0,0,0|3,0,0]=4 3480 B12R0.4 CCOCCOCC(=O)NC(C)C 7a_100000210136_100000183996 [0,1,0,0,0,0|3,0,0]=4 3481 B12R0.4 CCOCCOCC(=O)OC(C)C 34a_100000210136_100011215430 [0,1,0,0,0,0|2,0,0]=3 3482 B12R0.4 CCOCCOCC(=O)OC(C)C 7a_100000210136_100011215430 [0,1,0,0,0,0|2,0,0]=3 3483 B12R0.4 CCOCCSCC(=O)NC(C)C 62a_100000183996_100011215890 [0,1,0,0,0,0|3,0,0]=4 3484 B12R0.4 CCOCCSCC(=O)NC(C)C 62a_100000210147_100000183996 [0,1,0,0,0,0|3,0,0]=4 3485 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100000210147_100011215430 [0,1,0,0,0,0|2,0,0]=3 3486 B12R0.4 CCOCCSCC(=O)OC(C)C 62a_100011215430_100011215890 [0,1,0,0,0,0|2,0,0]=3 3487 B12R0.4 CCOCSCCC(=O)NC(C)C 62a_100000737564_100000739092 [0,1,0,0,0,0|3,0,0]=4 3488 B12R0.4 CCOCSCCC(=O)NC(C)C 62a_100000739092_100000737564 [0,1,0,0,0,0|3,0,0]=4 3489 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000739092_100000760027 [0,1,0,0,0,0|2,0,0]=3 3490 B12R0.4 CCOCSCCC(=O)OC(C)C 62a_100000760027_100000739092 [0,1,0,0,0,0|2,0,0]=3 3491 B12R0.4 CCOCSCOC(=O)OC(C)C 62a_100000003507_100000739092 [0,1,0,0,0,0|3,0,0]=4 3492 B12R0.4 CCOCSCOC(=O)OC(C)C 62a_100000739092_100000003507 [0,1,0,0,0,0|3,0,0]=4 3493 B12R0.4 CCSCCNCC(=O)NC(C)C 2230a_100000106463_100000183996 [0,1,0,0,0,0|3,0,0]=4 3494 B12R0.4 CCSCCNCC(=O)NC(C)C 2230a_100000168517_100000757381 [0,1,0,0,0,0|3,0,0]=4 3495 B12R0.4 CCSCCNCC(=O)OC(C)C 2230a_100000106463_100011215430 [0,1,0,0,0,0|2,0,0]=3 3496 B12R0.4 CCSCCOCC(=O)NC(C)C 34a_100000212035_100000183996 [0,1,0,0,0,0|3,0,0]=4 3497 B12R0.4 CCSCCOCC(=O)NC(C)C 7a_100000212035_100000183996 [0,1,0,0,0,0|3,0,0]=4 3498 B12R0.4 CCSCCOCC(=O)OC(C)C 34a_100000212035_100011215430 [0,1,0,0,0,0|2,0,0]=3 3499 B12R0.4 CCSCCOCC(=O)OC(C)C 7a_100000212035_100011215430 [0,1,0,0,0,0|2,0,0]=3 3500 B12R0.4 CCSCCSCC(=O)NC(C)C 62a_100000183996_100000757381 [0,1,0,0,0,0|3,0,0]=4 3501 B12R0.4 CCSCCSCC(=O)NC(C)C 62a_100000757381_100000183996 [0,1,0,0,0,0|3,0,0]=4 3502 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100000757381_100011215430 [0,1,0,0,0,0|2,0,0]=3 3503 B12R0.4 CCSCCSCC(=O)OC(C)C 62a_100011215430_100000757381 [0,1,0,0,0,0|2,0,0]=3 3504 B12R0.4 CN(C)CC(=O)CCCCCCF 1458a_100000750896_100015922095 [0,1,0,0,0,0|3,0,0]=4 3505 B12R0.4 CN(C)CC(=O)CCCCCCO 1458a_100000750896_100000766143 [0,1,0,0,0,0|3,0,0]=4 3506 B12R0.4 CNCCCCCC(=O)OC(C)C 2230a_106832991635_200010986244 [0,1,0,0,0,0|1,0,0]=2 3507 B12R0.4 CNCCCCCC(=O)OC(C)C 34a_100102657272_200010986244 [0,1,0,0,0,0|1,0,0]=2 3508 B12R0.4 CNCCCCCC(=O)OC(C)C 7a_106832991635_200010986244 [0,1,0,0,0,0|1,0,0]=2 3509 B12R0.4 CNCCCOCC(=O)NC(C)C 34a_100000213112_100000183996 [0,1,0,0,0,0|3,0,0]=4 3510 B12R0.4 CNCCCOCC(=O)OC(C)C 34a_100000213112_100011215430 [0,1,0,0,0,0|2,0,0]=3 3511 B12R0.4 COCCCCCC(=O)CC(C)C 1458a_100011935119_100000210624 [0,1,0,0,0,0|2,0,0]=3 3512 B12R0.4 COCCCCCC(=O)CC(C)O 1458a_100011935119_100011218427 [0,1,0,0,0,0|2,0,0]=3 3513 B12R0.4 COCCCCCC(=O)CC(F)F 1458a_100011935119_100011934356 [0,1,0,0,0,0|3,0,0]=4 3514 B12R0.4 COCCCCCC(=O)NC(C)C 11a_100138425928_100011935119 [0,1,0,0,0,0|2,0,0]=3 3515 B12R0.4 COCCCCCC(=O)NC(C)C 1626a_100138425928_100011935119 [0,1,0,0,0,0|2,0,0]=3 3516 B12R0.4 COCCCCCC(=O)NC(C)C 240690a_100138425928_100011935119 [0,1,0,0,0,0|2,0,0]=3 3517 B12R0.4 COCCCCCC(=O)NC(C)C 527a_100138425928_100011935119 [0,1,0,0,0,0|2,0,0]=3 3518 B12R0.4 COCCCCCC(=O)OC(C)C 34a_100138415774_200010986244 [0,1,0,0,0,0|1,0,0]=2 3519 B12R0.4 COCCCNCC(=O)NC(C)C 2230a_100000168517_100000740836 [0,1,0,0,0,0|3,0,0]=4 3520 B12R0.4 COCCCNCC(=O)NC(C)C 34a_100150723488_100000183996 [0,1,0,0,0,0|3,0,0]=4 3521 B12R0.4 COCCCNCC(=O)OC(C)C 34a_100150723488_100011215430 [0,1,0,0,0,0|2,0,0]=3 3522 B12R0.4 COCCCOCC(=O)NC(C)C 34a_100000740835_100000183996 [0,1,0,0,0,0|3,0,0]=4 3523 B12R0.4 COCCCOCC(=O)OC(C)C 34a_100000740835_100011215430 [0,1,0,0,0,0|2,0,0]=3 3524 B12R0.4 COCCCSCC(=O)NC(C)C 62a_100000183996_100000709357 [0,1,0,0,0,0|3,0,0]=4 3525 B12R0.4 COCCCSCC(=O)NC(C)C 62a_100000709357_100000183996 [0,1,0,0,0,0|3,0,0]=4 3526 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100000709357_100011215430 [0,1,0,0,0,0|2,0,0]=3 3527 B12R0.4 COCCCSCC(=O)OC(C)C 62a_100011215430_100000709357 [0,1,0,0,0,0|2,0,0]=3 3528 B12R0.4 COCCNCCC(=O)NC(C)C 2230a_100000209980_100000737564 [0,1,0,0,0,0|3,0,0]=4 3529 B12R0.4 COCCNCCC(=O)OC(C)C 2230a_100000209980_100000760027 [0,1,0,0,0,0|2,0,0]=3 3530 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000210554_100000695917 [0,1,0,0,0,0|3,0,0]=4 3531 B12R0.4 COCCOCCC(=O)CC(C)C 1458a_100000745395_100000210624 [0,1,0,0,0,0|3,0,0]=4 3532 B12R0.4 COCCOCCC(=O)CC(C)O 1458a_100000745395_100011218427 [0,1,0,0,0,0|3,0,0]=4 3533 B12R0.4 COCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100000695917 [0,1,0,0,0,0|3,0,0]=4 3534 B12R0.4 COCCOCCC(=O)NC(C)C 11a_100138425928_100000745395 [0,1,0,0,0,0|3,0,0]=4 3535 B12R0.4 COCCOCCC(=O)NC(C)C 1626a_100138425928_100000745395 [0,1,0,0,0,0|3,0,0]=4 3536 B12R0.4 COCCOCCC(=O)NC(C)C 240690a_100138425928_100000745395 [0,1,0,0,0,0|3,0,0]=4 3537 B12R0.4 COCCOCCC(=O)NC(C)C 527a_100138425928_100000745395 [0,1,0,0,0,0|3,0,0]=4 3538 B12R0.4 COCCSCCC(=O)NC(C)C 62a_100000233755_100000737564 [0,1,0,0,0,0|3,0,0]=4 3539 B12R0.4 COCCSCCC(=O)NC(C)C 62a_100000737564_100000233755 [0,1,0,0,0,0|3,0,0]=4 3540 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000233755_100000760027 [0,1,0,0,0,0|2,0,0]=3 3541 B12R0.4 COCCSCCC(=O)OC(C)C 62a_100000760027_100000233755 [0,1,0,0,0,0|2,0,0]=3 3542 B12R0.4 COCCSCOC(=O)OC(C)C 62a_100000003507_100000233755 [0,1,0,0,0,0|3,0,0]=4 3543 B12R0.4 COCCSCOC(=O)OC(C)C 62a_100000233755_100000003507 [0,1,0,0,0,0|3,0,0]=4 3544 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200000210301_200010986244 [0,1,0,0,0,0|1,0,0]=2 3545 B12R0.4 CSCCCCCC(=O)OC(C)C 62a_200010986244_200000210301 [0,1,0,0,0,0|1,0,0]=2 3546 B12R0.4 CSCCCNCC(=O)NC(C)C 2230a_100000749238_100000183996 [0,1,0,0,0,0|3,0,0]=4 3547 B12R0.4 CSCCCNCC(=O)OC(C)C 2230a_100000749238_100011215430 [0,1,0,0,0,0|2,0,0]=3 3548 B12R0.4 CSCCCOCC(=O)NC(C)C 34a_100000690336_100000183996 [0,1,0,0,0,0|3,0,0]=4 3549 B12R0.4 CSCCCOCC(=O)NC(C)C 7a_100000690336_100000183996 [0,1,0,0,0,0|3,0,0]=4 3550 B12R0.4 CSCCCOCC(=O)OC(C)C 34a_100000690336_100011215430 [0,1,0,0,0,0|2,0,0]=3 3551 B12R0.4 CSCCCOCC(=O)OC(C)C 7a_100000690336_100011215430 [0,1,0,0,0,0|2,0,0]=3 3552 B12R0.4 CSCCNCCC(=O)NC(C)C 2230a_100020590264_100000737564 [0,1,0,0,0,0|3,0,0]=4 3553 B12R0.4 CSCCNCCC(=O)OC(C)C 2230a_100020590264_100000760027 [0,1,0,0,0,0|2,0,0]=3 3554 B12R0.4 CSCCOCCC(=O)NC(C)C 7a_100000230434_100000737564 [0,1,0,0,0,0|3,0,0]=4 3555 B12R0.4 CSCCOCCC(=O)OC(C)C 7a_100000230434_100000760027 [0,1,0,0,0,0|2,0,0]=3 3556 B12R0.4 CSCCSCCC(=O)NC(C)C 62a_100000212216_100000737564 [0,1,0,0,0,0|3,0,0]=4 3557 B12R0.4 CSCCSCCC(=O)NC(C)C 62a_100000737564_100000751147 [0,1,0,0,0,0|3,0,0]=4 3558 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000212216_100000760027 [0,1,0,0,0,0|2,0,0]=3 3559 B12R0.4 CSCCSCCC(=O)OC(C)C 62a_100000760027_100000751147 [0,1,0,0,0,0|2,0,0]=3 3560 B12R0.4 CSCCSCOC(=O)OC(C)C 62a_100000003507_100000751147 [0,1,0,0,0,0|3,0,0]=4 3561 B12R0.4 CSCCSCOC(=O)OC(C)C 62a_100000212216_100000003507 [0,1,0,0,0,0|3,0,0]=4 3562 B12R0.4 C[C@@H](O)CC(=O)CCCCCC#N 1458a_100011933948_100009813376 [0,1,0,0,0,0|2,0,1]=4 3563 B12R0.4 C[C@@H](O)CC(=O)CCCCCCF 1458a_100011933948_100015922095 [0,1,0,0,0,0|2,0,0]=3 3564 B12R0.4 C[C@@H](O)CC(=O)CCCCCCO 1458a_100011933948_100000766143 [0,1,0,0,0,0|2,0,0]=3 3565 B12R0.4 C[C@@H](O)CC(=O)NCCCCCO 240690a_100000762737_100011933948 [0,1,0,0,0,0|3,0,0]=4 3566 B12R0.4 C[S+](C)CC(=O)CCCCCCF 1458a_200159257847_100015922095 [0,1,0,0,0,0|3,0,0]=4 3567 B12R0.4 C[S+](C)CC(=O)CCCCCCO 1458a_200159257847_100000766143 [0,1,0,0,0,0|3,0,0]=4 3568 B12R0.4 O=C(CCCCCCO)CC(F)F 1458a_100011996774_100011934356 [0,1,0,0,0,0|3,0,0]=4 3569 B12R0.49 C#CC(C)C(=O)CCCCCCC 1458a_100000211969_200000035995 [0,1,0,0,0,0|1,0,2]=4 3570 B12R0.49 C#CCCCCCC(=O)C(C)CC 1458a_100000694772_100000758301 [0,1,0,0,0,0|1,0,2]=4 3571 B12R0.49 C#CCCCCCC(=O)C(C)CC 1458a_100011192722_100012094781 [0,1,0,0,0,0|1,0,2]=4 3572 B12R0.49 C#CCCCCCC(=O)C(O)CC 1458a_100011196387_100012094781 [0,1,0,0,0,0|1,0,2]=4 3573 B12R0.49 C#CCCCCCC(=O)N(C)CC 11a_100000225621_100000694772 [0,1,0,0,0,0|1,0,2]=4 3574 B12R0.49 C#CCCCCCC(=O)N(C)CC 1626a_100000225621_100000694772 [0,1,0,0,0,0|1,0,2]=4 3575 B12R0.49 C#CCCCCCC(=O)N(C)CC 240690a_100000225621_100000694772 [0,1,0,0,0,0|1,0,2]=4 3576 B12R0.49 C#CCCCCCC(=O)N(C)CC 527a_100000225621_100000694772 [0,1,0,0,0,0|1,0,2]=4 3577 B12R0.49 C/C=C(\C)/C(=O)CCCCCCC 1458a_100020587367_100000210614 [0,1,0,0,0,0|1,0,1]=3 3578 B12R0.49 C/C=C(\C)/C(=O)CCCCCCF 1458a_100020587367_100015922095 [0,1,0,0,0,0|2,0,1]=4 3579 B12R0.49 C/C=C(\C)/C(=O)CCCCCCO 1458a_100020587367_100000766143 [0,1,0,0,0,0|2,0,1]=4 3580 B12R0.49 C/C=C(\C)/C(=O)CCOCCCC 1458a_100020587367_100000743108 [0,1,0,0,0,0|2,0,1]=4 3581 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 11a_100000210581_100020587367 [0,1,0,0,0,0|2,0,1]=4 3582 B12R0.49 C/C=C(\C)/C(=O)NCCCCCC 1626a_100000210581_100020587367 [0,1,0,0,0,0|2,0,1]=4 3583 B12R0.49 C=CC(C)C(=O)CCCCCCC 1458a_100011216780_100000210614 [0,1,0,0,0,0|1,0,2]=4 3584 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011192722_100000700193 [0,1,0,0,0,0|1,0,2]=4 3585 B12R0.49 C=CCCCCCC(=O)C(C)CC 1458a_100011934241_100000758301 [0,1,0,0,0,0|1,0,2]=4 3586 B12R0.49 C=CCCCCCC(=O)C(O)CC 1458a_100011196387_100000700193 [0,1,0,0,0,0|1,0,2]=4 3587 B12R0.49 C=CCCCCCC(=O)N(C)CC 11a_100000225621_100011934241 [0,1,0,0,0,0|1,0,2]=4 3588 B12R0.49 C=CCCCCCC(=O)N(C)CC 1626a_100000225621_100011934241 [0,1,0,0,0,0|1,0,2]=4 3589 B12R0.49 C=CCCCCCC(=O)N(C)CC 240690a_100000225621_100011934241 [0,1,0,0,0,0|1,0,2]=4 3590 B12R0.49 C=CCCCCCC(=O)N(C)CC 527a_100000225621_100011934241 [0,1,0,0,0,0|1,0,2]=4 3591 B12R0.49 CCC(C)C(=O)CCCCCC#N 1458a_100011192722_100009813376 [0,1,0,0,0,0|2,0,1]=4 3592 B12R0.49 CCC(C)C(=O)CCCCCCF 1458a_100011192722_100015922095 [0,1,0,0,0,0|2,0,0]=3 3593 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011192722_100000766143 [0,1,0,0,0,0|2,0,0]=3 3594 B12R0.49 CCC(C)C(=O)CCCCCCO 1458a_100011996774_100000758301 [0,1,0,0,0,0|2,0,0]=3 3595 B12R0.49 CCC(C)C(=O)CCCCCOC 1458a_100011935119_100000758301 [0,1,0,0,0,0|2,0,0]=3 3596 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100000745395_100000758301 [0,1,0,0,0,0|3,0,0]=4 3597 B12R0.49 CCC(C)C(=O)CCOCCOC 1458a_100011192722_100000695917 [0,1,0,0,0,0|3,0,0]=4 3598 B12R0.49 CCC(C)C(=O)NCCCCCO 240690a_100000762737_100011192722 [0,1,0,0,0,0|3,0,0]=4 3599 B12R0.49 CCC(O)C(=O)CCCCCC#N 1458a_100011196387_100009813376 [0,1,0,0,0,0|2,0,1]=4 3600 B12R0.49 CCC(O)C(=O)CCCCCCF 1458a_100011196387_100015922095 [0,1,0,0,0,0|2,0,0]=3 3601 B12R0.49 CCC(O)C(=O)CCCCCCO 1458a_100011196387_100000766143 [0,1,0,0,0,0|2,0,0]=3 3602 B12R0.49 CCC(O)C(=O)CCOCCOC 1458a_100011196387_100000695917 [0,1,0,0,0,0|3,0,0]=4 3603 B12R0.49 CCC(O)C(=O)NCCCCCO 240690a_100000762737_100011196387 [0,1,0,0,0,0|3,0,0]=4 3604 B12R0.49 CCCC/C=C/CC(=O)C(C)CC 1458a_200016282684_100000758301 [0,1,0,0,0,0|1,0,2]=4 3605 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016282684 [0,1,0,0,0,0|1,0,2]=4 3606 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016282684 [0,1,0,0,0,0|1,0,2]=4 3607 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016282684 [0,1,0,0,0,0|1,0,2]=4 3608 B12R0.49 CCCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016282684 [0,1,0,0,0,0|1,0,2]=4 3609 B12R0.49 CCCCCC#CC(=O)C(C)CC 1458a_100011215388_100000758301 [0,1,0,0,0,0|1,0,2]=4 3610 B12R0.49 CCCCCC#CC(=O)N(C)CC 240690a_100000225621_100011215388 [0,1,0,0,0,0|1,0,2]=4 3611 B12R0.49 CCCCCC=CC(=O)C(C)CC 1458a_100016263427_100000758301 [0,1,0,0,0,0|1,0,2]=4 3612 B12R0.49 CCCCCC=CC(=O)N(C)CC 11a_100000225621_100016263427 [0,1,0,0,0,0|1,0,2]=4 3613 B12R0.49 CCCCCC=CC(=O)N(C)CC 1626a_100000225621_100016263427 [0,1,0,0,0,0|1,0,2]=4 3614 B12R0.49 CCCCCC=CC(=O)N(C)CC 240690a_100000225621_100016263427 [0,1,0,0,0,0|1,0,2]=4 3615 B12R0.49 CCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210614 [0,1,0,0,0,0|2,0,0]=3 3616 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000211969_100000703298 [0,1,0,0,0,0|2,0,1]=4 3617 B12R0.49 CCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210614 [0,1,0,0,0,0|2,0,1]=4 3618 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100000211969_100000758301 [0,1,0,0,0,0|1,0,0]=2 3619 B12R0.49 CCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210614 [0,1,0,0,0,0|1,0,0]=2 3620 B12R0.49 CCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210614 [0,1,0,0,0,0|2,0,0]=3 3621 B12R0.49 CCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210614 [0,1,0,0,0,0|2,0,0]=3 3622 B12R0.49 CCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210614 [0,1,0,0,0,0|1,0,0]=2 3623 B12R0.49 CCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210614 [0,1,0,0,0,0|2,0,0]=3 3624 B12R0.49 CCCCCCCC(=O)N(C)CC 11a_100000225621_100000211969 [0,1,0,0,0,0|1,0,0]=2 3625 B12R0.49 CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211969 [0,1,0,0,0,0|1,0,0]=2 3626 B12R0.49 CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211969 [0,1,0,0,0,0|1,0,0]=2 3627 B12R0.49 CCCCCCCC(=O)N(C)CC 527a_100000225621_100000211969 [0,1,0,0,0,0|1,0,0]=2 3628 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,1,0,0,0,0|2,0,1]=4 3629 B12R0.49 CCCCCCCC(C)N(C)CC 2230a_100000225621_200011218727 [0,1,0,0,0,0|2,0,1]=4 3630 B12R0.49 CCCCCCCC(C)N(C)CC 269982a_100000225621_200011218727 [0,1,0,0,0,0|2,0,1]=4 3631 B12R0.49 CCCCCCCN(C)C(=O)CC 11a_100000228206_100000210414 [0,1,0,0,0,0|3,0,0]=4 3632 B12R0.49 CCCCCCCN(C)C(=O)CC 1626a_100000228206_100000210414 [0,1,0,0,0,0|3,0,0]=4 3633 B12R0.49 CCCCCCCN(C)C(=O)CC 240690a_100000228206_100000210414 [0,1,0,0,0,0|3,0,0]=4 3634 B12R0.49 CCCCCCCN(C)C(=O)CC 527a_100000228206_100000210414 [0,1,0,0,0,0|3,0,0]=4 3635 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000228206_100000758301 [0,1,0,0,0,0|3,0,0]=4 3636 B12R0.49 CCCCCCCN(C)C(C)CC 2230a_100000741768_100000210681 [0,1,0,0,0,0|3,0,0]=4 3637 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000228206_100000758301 [0,1,0,0,0,0|3,0,0]=4 3638 B12R0.49 CCCCCCCN(C)C(C)CC 269982a_100000741768_100000210681 [0,1,0,0,0,0|3,0,0]=4 3639 B12R0.49 CCCCCCNC(=O)C(=O)NC 1626a_100000210581_100011218921 [0,1,0,0,0,0|3,0,0]=4 3640 B12R0.49 CCCCCCNC(=O)C(=O)NC 240690a_100000210581_100011218921 [0,1,0,0,0,0|3,0,0]=4 3641 B12R0.49 CCCCCCNC(=O)C(=O)NC 527a_100000210581_100011218921 [0,1,0,0,0,0|3,0,0]=4 3642 B12R0.49 CCCCCCNC(=O)C(=O)OC 11a_100000210581_100000024059 [0,1,0,0,0,0|3,0,0]=4 3643 B12R0.49 CCCCCCNC(=O)C(=O)OC 1626a_100000210581_100000024059 [0,1,0,0,0,0|3,0,0]=4 3644 B12R0.49 CCCCCCNC(=O)C(=O)OC 240690a_100000210581_100000024059 [0,1,0,0,0,0|3,0,0]=4 3645 B12R0.49 CCCCCCNC(=O)C(=O)OC 527a_100000210581_100000024059 [0,1,0,0,0,0|3,0,0]=4 3646 B12R0.49 CCCCCCNC(=O)C(C)CC 11a_100000210581_100011192722 [0,1,0,0,0,0|2,0,0]=3 3647 B12R0.49 CCCCCCNC(=O)C(C)CC 1626a_100000210581_100011192722 [0,1,0,0,0,0|2,0,0]=3 3648 B12R0.49 CCCCCCNC(=O)C(C)CC 240690a_100000210581_100011192722 [0,1,0,0,0,0|2,0,0]=3 3649 B12R0.49 CCCCCCNC(=O)C(C)CC 527a_100000210581_100011192722 [0,1,0,0,0,0|2,0,0]=3 3650 B12R0.49 CCCCCCNC(=O)C(C)OC 11a_100000210581_100000743197 [0,1,0,0,0,0|3,0,0]=4 3651 B12R0.49 CCCCCCNC(=O)C(C)OC 1626a_100000210581_100000743197 [0,1,0,0,0,0|3,0,0]=4 3652 B12R0.49 CCCCCCNC(=O)C(C)OC 240690a_100000210581_100000743197 [0,1,0,0,0,0|3,0,0]=4 3653 B12R0.49 CCCCCCNC(=O)C(C)OC 527a_100000210581_100000743197 [0,1,0,0,0,0|3,0,0]=4 3654 B12R0.49 CCCCCCNC(=O)C(C)SC 11a_100000210581_100000149566 [0,1,0,0,0,0|3,0,0]=4 3655 B12R0.49 CCCCCCNC(=O)C(C)SC 1626a_100000210581_100000149566 [0,1,0,0,0,0|3,0,0]=4 3656 B12R0.49 CCCCCCNC(=O)C(C)SC 240690a_100000210581_100000149566 [0,1,0,0,0,0|3,0,0]=4 3657 B12R0.49 CCCCCCNC(=O)C(C)SC 527a_100000210581_100000149566 [0,1,0,0,0,0|3,0,0]=4 3658 B12R0.49 CCCCCCNC(=O)C(O)CC 240690a_100000210581_100011196387 [0,1,0,0,0,0|2,0,0]=3 3659 B12R0.49 CCCCCCNC(=O)C(O)CO 240690a_100000210581_100011215603 [0,1,0,0,0,0|3,0,0]=4 3660 B12R0.49 CCCCCCNC(=O)N(C)CC 2708a_100000210581_100000225621 [0,1,0,0,0,0|2,0,0]=3 3661 B12R0.49 CCCCCCNC(=O)N(C)CC 273464a_100000210581_100000225621 [0,1,0,0,0,0|2,0,0]=3 3662 B12R0.49 CCCCCNCC(=O)N(C)CC 2230a_100000209983_100000738999 [0,1,0,0,0,0|2,0,0]=3 3663 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100000209983_100000764215 [0,1,0,0,0,0|3,0,0]=4 3664 B12R0.49 CCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210326 [0,1,0,0,0,0|3,0,0]=4 3665 B12R0.49 CCCCCNNC(=O)C(C)CC 22a_100000694160_100011192722 [0,1,0,0,0,0|3,0,0]=4 3666 B12R0.49 CCCCCNNC(=O)C(O)CC 22a_100000694160_100011196387 [0,1,0,0,0,0|3,0,0]=4 3667 B12R0.49 CCCCCOCC(=O)C(=O)OC 34a_100000210253_100011610305 [0,1,0,0,0,0|3,0,0]=4 3668 B12R0.49 CCCCCOCC(=O)N(C)CC 34a_100000210253_100000738999 [0,1,0,0,0,0|2,0,0]=3 3669 B12R0.49 CCCCCOCC(=O)N(C)CC 7a_100000210253_100000738999 [0,1,0,0,0,0|2,0,0]=3 3670 B12R0.49 CCCCCOCC(=O)N(C)OC 7a_100000210253_100000764215 [0,1,0,0,0,0|3,0,0]=4 3671 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100000210326_100011610305 [0,1,0,0,0,0|3,0,0]=4 3672 B12R0.49 CCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210326 [0,1,0,0,0,0|3,0,0]=4 3673 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000210326_100000738999 [0,1,0,0,0,0|2,0,0]=3 3674 B12R0.49 CCCCCSCC(=O)N(C)CC 62a_100000738999_100000210326 [0,1,0,0,0,0|2,0,0]=3 3675 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000210326_100000764215 [0,1,0,0,0,0|3,0,0]=4 3676 B12R0.49 CCCCCSCC(=O)N(C)OC 62a_100000764215_100000210326 [0,1,0,0,0,0|3,0,0]=4 3677 B12R0.49 CCCCOCCC(=O)C(=O)NC 1458a_100011218921_100000743108 [0,1,0,0,0,0|3,0,0]=4 3678 B12R0.49 CCCCOCCC(=O)C(C)CC 1458a_100011192722_100000743108 [0,1,0,0,0,0|2,0,0]=3 3679 B12R0.49 CCCCOCCC(=O)C(C)OC 1458a_100000743197_100000743108 [0,1,0,0,0,0|3,0,0]=4 3680 B12R0.49 CCCCOCCC(=O)C(C)SC 1458a_100000149566_100000743108 [0,1,0,0,0,0|3,0,0]=4 3681 B12R0.49 CCCCOCCC(=O)C(O)CC 1458a_100011196387_100000743108 [0,1,0,0,0,0|2,0,0]=3 3682 B12R0.49 CCCCOCCC(=O)C(O)CO 1458a_100011215603_100000743108 [0,1,0,0,0,0|3,0,0]=4 3683 B12R0.49 CCCOCCNC(=O)C(C)CC 1626a_100161115042_100011192722 [0,1,0,0,0,0|3,0,0]=4 3684 B12R0.49 CCCOCCNC(=O)C(C)CC 240690a_100161115042_100011192722 [0,1,0,0,0,0|3,0,0]=4 3685 B12R0.49 CCCOCCNC(=O)C(C)CC 527a_100161115042_100011192722 [0,1,0,0,0,0|3,0,0]=4 3686 B12R0.49 CCCOCCNC(=O)C(O)CC 240690a_100161115042_100011196387 [0,1,0,0,0,0|3,0,0]=4 3687 B12R0.49 CCCOCCNC(=O)N(C)CC 2708a_100161115042_100000225621 [0,1,0,0,0,0|3,0,0]=4 3688 B12R0.49 CCCOCCNC(=O)N(C)CC 273464a_100161115042_100000225621 [0,1,0,0,0,0|3,0,0]=4 3689 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100000210303_100011842776 [0,1,0,0,0,0|3,0,0]=4 3690 B12R0.49 CCCSCCCC(=O)N(C)OC 62a_100011842776_100000210303 [0,1,0,0,0,0|3,0,0]=4 3691 B12R0.49 CCCSCCNC(=O)C(C)CC 11a_100020603323_100011192722 [0,1,0,0,0,0|3,0,0]=4 3692 B12R0.49 CCCSCCNC(=O)C(C)CC 240690a_100020603323_100011192722 [0,1,0,0,0,0|3,0,0]=4 3693 B12R0.49 CCCSCCNC(=O)C(C)CC 527a_100020603323_100011192722 [0,1,0,0,0,0|3,0,0]=4 3694 B12R0.49 CCCSCCNC(=O)C(O)CC 240690a_100020603323_100011196387 [0,1,0,0,0,0|3,0,0]=4 3695 B12R0.49 CCCSCCNC(=O)N(C)CC 2708a_100020603323_100000225621 [0,1,0,0,0,0|3,0,0]=4 3696 B12R0.49 CCCSCCNC(=O)N(C)CC 273464a_100020603323_100000225621 [0,1,0,0,0,0|3,0,0]=4 3697 B12R0.49 CCN(C)C(=O)CCCCCCO 240690a_100000225621_100011996774 [0,1,0,0,0,0|2,0,0]=3 3698 B12R0.49 CCN(C)C(=O)CCCCCOC 11a_100000225621_100011935119 [0,1,0,0,0,0|2,0,0]=3 3699 B12R0.49 CCN(C)C(=O)CCCCCOC 1626a_100000225621_100011935119 [0,1,0,0,0,0|2,0,0]=3 3700 B12R0.49 CCN(C)C(=O)CCCCCOC 240690a_100000225621_100011935119 [0,1,0,0,0,0|2,0,0]=3 3701 B12R0.49 CCN(C)C(=O)CCCCCOC 527a_100000225621_100011935119 [0,1,0,0,0,0|2,0,0]=3 3702 B12R0.49 CCN(C)C(=O)CCOCCOC 11a_100000225621_100000745395 [0,1,0,0,0,0|3,0,0]=4 3703 B12R0.49 CCN(C)C(=O)CCOCCOC 1626a_100000225621_100000745395 [0,1,0,0,0,0|3,0,0]=4 3704 B12R0.49 CCN(C)C(=O)CCOCCOC 240690a_100000225621_100000745395 [0,1,0,0,0,0|3,0,0]=4 3705 B12R0.49 CCN(C)C(=O)CCOCCOC 527a_100000225621_100000745395 [0,1,0,0,0,0|3,0,0]=4 3706 B12R0.49 CCN(C)C(=O)CNCCCCO 2230a_100000750430_100000738999 [0,1,0,0,0,0|3,0,0]=4 3707 B12R0.49 CCN(C)C(=O)CNCCCCO 34a_100000750430_100000738999 [0,1,0,0,0,0|3,0,0]=4 3708 B12R0.49 CCN(C)C(=O)CNCCCOC 34a_100150723488_100000738999 [0,1,0,0,0,0|3,0,0]=4 3709 B12R0.49 CCN(C)C(=O)CNCCCSC 2230a_100000749238_100000738999 [0,1,0,0,0,0|3,0,0]=4 3710 B12R0.49 CCN(C)C(=O)COCCCCBr 34a_100011216708_100000738999 [0,1,0,0,0,0|3,0,0]=4 3711 B12R0.49 CCN(C)C(=O)COCCCCCl 34a_100000210776_100000738999 [0,1,0,0,0,0|3,0,0]=4 3712 B12R0.49 CCN(C)C(=O)COCCCCCl 7a_100000210776_100000738999 [0,1,0,0,0,0|3,0,0]=4 3713 B12R0.49 CCN(C)C(=O)COCCCCF 34a_100011995726_100000738999 [0,1,0,0,0,0|3,0,0]=4 3714 B12R0.49 CCN(C)C(=O)COCCCCF 7a_100011995726_100000738999 [0,1,0,0,0,0|3,0,0]=4 3715 B12R0.49 CCN(C)C(=O)COCCCCI 34a_200012148704_100000738999 [0,1,0,0,0,0|3,0,0]=4 3716 B12R0.49 CCN(C)C(=O)COCCCCN 34a_100000750430_100000738999 [0,1,0,0,0,0|3,0,0]=4 3717 B12R0.49 CCN(C)C(=O)COCCCNC 34a_100000213112_100000738999 [0,1,0,0,0,0|3,0,0]=4 3718 B12R0.49 CCN(C)C(=O)COCCCOC 34a_100000740835_100000738999 [0,1,0,0,0,0|3,0,0]=4 3719 B12R0.49 CCN(C)C(=O)COCCCSC 34a_100000690336_100000738999 [0,1,0,0,0,0|3,0,0]=4 3720 B12R0.49 CCN(C)C(=O)COCCCSC 7a_100000690336_100000738999 [0,1,0,0,0,0|3,0,0]=4 3721 B12R0.49 CCN(C)C(=O)CSCCCCF 62a_100000729493_100000738999 [0,1,0,0,0,0|3,0,0]=4 3722 B12R0.49 CCN(C)C(=O)CSCCCCF 62a_100000738999_100000729493 [0,1,0,0,0,0|3,0,0]=4 3723 B12R0.49 CCN(C)C(=O)CSCCCCO 62a_100000210776_100000738999 [0,1,0,0,0,0|3,0,0]=4 3724 B12R0.49 CCN(C)C(=O)CSCCCCO 62a_100000738999_100000210776 [0,1,0,0,0,0|3,0,0]=4 3725 B12R0.49 CCN(C)C(=O)CSCCCOC 62a_100000709357_100000738999 [0,1,0,0,0,0|3,0,0]=4 3726 B12R0.49 CCN(C)C(=O)CSCCCOC 62a_100000738999_100000709357 [0,1,0,0,0,0|3,0,0]=4 3727 B12R0.49 CCN(C)C(=O)NCCCCCO 273464a_100000762737_100000225621 [0,1,0,0,0,0|3,0,0]=4 3728 B12R0.49 CCOCCCNC(=O)C(C)CC 11a_100000210961_100011192722 [0,1,0,0,0,0|3,0,0]=4 3729 B12R0.49 CCOCCCNC(=O)C(C)CC 1626a_100000210961_100011192722 [0,1,0,0,0,0|3,0,0]=4 3730 B12R0.49 CCOCCCNC(=O)C(C)CC 240690a_100000210961_100011192722 [0,1,0,0,0,0|3,0,0]=4 3731 B12R0.49 CCOCCCNC(=O)C(C)CC 527a_100000210961_100011192722 [0,1,0,0,0,0|3,0,0]=4 3732 B12R0.49 CCOCCCNC(=O)C(O)CC 240690a_100000210961_100011196387 [0,1,0,0,0,0|3,0,0]=4 3733 B12R0.49 CCOCCCNC(=O)N(C)CC 2708a_100000210961_100000225621 [0,1,0,0,0,0|3,0,0]=4 3734 B12R0.49 CCOCCCNC(=O)N(C)CC 273464a_100000210961_100000225621 [0,1,0,0,0,0|3,0,0]=4 3735 B12R0.49 CCOCCNCC(=O)N(C)CC 2230a_102516460346_100000738999 [0,1,0,0,0,0|3,0,0]=4 3736 B12R0.49 CCOCCNCC(=O)N(C)CC 34a_102516460346_100000738999 [0,1,0,0,0,0|3,0,0]=4 3737 B12R0.49 CCOCCOCC(=O)N(C)CC 34a_100000210136_100000738999 [0,1,0,0,0,0|3,0,0]=4 3738 B12R0.49 CCOCCOCC(=O)N(C)CC 7a_100000210136_100000738999 [0,1,0,0,0,0|3,0,0]=4 3739 B12R0.49 CCOCCSCC(=O)N(C)CC 62a_100000210147_100000738999 [0,1,0,0,0,0|3,0,0]=4 3740 B12R0.49 CCOCCSCC(=O)N(C)CC 62a_100000738999_100011215890 [0,1,0,0,0,0|3,0,0]=4 3741 B12R0.49 CCSCCNCC(=O)N(C)CC 2230a_100000106463_100000738999 [0,1,0,0,0,0|3,0,0]=4 3742 B12R0.49 CCSCCOCC(=O)N(C)CC 34a_100000212035_100000738999 [0,1,0,0,0,0|3,0,0]=4 3743 B12R0.49 CCSCCOCC(=O)N(C)CC 7a_100000212035_100000738999 [0,1,0,0,0,0|3,0,0]=4 3744 B12R0.49 CCSCCSCC(=O)N(C)CC 62a_100000738999_100000757381 [0,1,0,0,0,0|3,0,0]=4 3745 B12R0.49 CCSCCSCC(=O)N(C)CC 62a_100000757381_100000738999 [0,1,0,0,0,0|3,0,0]=4 3746 B12R0.49 CNC(=O)C(=O)CCCCCCF 1458a_100011218921_100015922095 [0,1,0,0,0,0|3,0,0]=4 3747 B12R0.49 CNC(=O)C(=O)CCCCCCO 1458a_100011218921_100000766143 [0,1,0,0,0,0|3,0,0]=4 3748 B12R0.49 COC(C)C(=O)CCCCCCF 1458a_100000743197_100015922095 [0,1,0,0,0,0|3,0,0]=4 3749 B12R0.49 COC(C)C(=O)CCCCCCO 1458a_100000743197_100000766143 [0,1,0,0,0,0|3,0,0]=4 3750 B12R0.49 CSC(C)C(=O)CCCCCCF 1458a_100000149566_100015922095 [0,1,0,0,0,0|3,0,0]=4 3751 B12R0.49 CSC(C)C(=O)CCCCCCO 1458a_100000149566_100000766143 [0,1,0,0,0,0|3,0,0]=4 3752 B12R0.49 O=C(CCCCCCF)C(O)CO 1458a_100011215603_100015922095 [0,1,0,0,0,0|3,0,0]=4 3753 B12R0.49 O=C(CCCCCCO)C(O)CO 1458a_100011215603_100000766143 [0,1,0,0,0,0|3,0,0]=4 3754 B12R0.101 C#CCC(=O)CCC(C)CCCC 1458a_100000033779_100000184674 [0,1,0,0,0,0|1,0,2]=4 3755 B12R0.101 C#CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000753159 [0,1,0,0,0,0|0,0,3]=4 3756 B12R0.101 C#CCCN(C)CCC(=O)OCC 2230a_100000745921_100000688953 [0,1,0,0,0,0|1,0,2]=4 3757 B12R0.101 C#CCCN(C)CCC(=O)OCC 269982a_100000745921_100000730999 [0,1,0,0,0,0|1,0,2]=4 3758 B12R0.101 C#CCNC(C)CCC(=O)OCC 34a_100000212058_100000748298 [0,1,0,0,0,0|1,0,2]=4 3759 B12R0.101 C#CCOC(C)CCC(=O)OCC 34a_100000210247_100000748298 [0,1,0,0,0,0|1,0,2]=4 3760 B12R0.101 C#CCSC(C)CCC(=O)OCC 62a_100000038162_100000748298 [0,1,0,0,0,0|1,0,2]=4 3761 B12R0.101 C/C=C/CC(=O)CCC(=O)OCC 1458a_100000183558_100102629194 [0,1,0,0,0,0|0,0,3]=4 3762 B12R0.101 C/C=C/CN(C)CCC(=O)OCC 269982a_100000745921_100102629194 [0,1,0,0,0,0|1,0,2]=4 3763 B12R0.101 C=CCC(=O)CCC(C)CCCC 1458a_100000033779_100000210623 [0,1,0,0,0,0|1,0,2]=4 3764 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [0,1,0,0,0,0|0,0,3]=4 3765 B12R0.101 C=CCCC(C)OCC(=O)OCC 34a_100000765329_100000188475 [0,1,0,0,0,0|1,0,2]=4 3766 B12R0.101 C=CCCC(C)OCC(=O)OCC 7a_100000765329_100000188475 [0,1,0,0,0,0|1,0,2]=4 3767 B12R0.101 C=CCCN(C)CCC(=O)OCC 2230a_100000745921_100000754431 [0,1,0,0,0,0|1,0,2]=4 3768 B12R0.101 C=CCCN(C)CCC(=O)OCC 2230a_100020639649_100011206558 [0,1,0,0,0,0|1,0,2]=4 3769 B12R0.101 C=CCCN(C)CCC(=O)OCC 269982a_100000745921_100000754431 [0,1,0,0,0,0|1,0,2]=4 3770 B12R0.101 C=CCCN(C)CCC(=O)OCC 269982a_100020639649_100011206558 [0,1,0,0,0,0|1,0,2]=4 3771 B12R0.101 C=CCNC(C)CCC(=O)OCC 2230a_100020586998_100000748298 [0,1,0,0,0,0|1,0,2]=4 3772 B12R0.101 C=CCOC(C)CCC(=O)OCC 34a_200000210373_100000748298 [0,1,0,0,0,0|1,0,2]=4 3773 B12R0.101 C=CCSC(C)CCC(=O)OCC 62a_100000210623_100000748298 [0,1,0,0,0,0|1,0,2]=4 3774 B12R0.101 C=CCSC(C)CCC(=O)OCC 62a_100000748298_100000210623 [0,1,0,0,0,0|1,0,2]=4 3775 B12R0.101 C=COC(=O)CNC(C)CCCC 2230a_100000126638_100000036128 [0,1,0,0,0,0|1,0,2]=4 3776 B12R0.101 C=COC(=O)COC(C)CCCC 34a_100000687866_100000036128 [0,1,0,0,0,0|1,0,2]=4 3777 B12R0.101 C=COC(=O)CSC(C)CCCC 62a_100000036128_200011215066 [0,1,0,0,0,0|1,0,2]=4 3778 B12R0.101 C=COC(=O)CSC(C)CCCC 62a_200011215066_100000036128 [0,1,0,0,0,0|1,0,2]=4 3779 B12R0.101 CC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000748600 [0,1,0,0,0,0|0,0,3]=4 3780 B12R0.101 CC#CCN(C)CCC(=O)OCC 2230a_100000745921_100000748600 [0,1,0,0,0,0|1,0,2]=4 3781 B12R0.101 CC=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000070051 [0,1,0,0,0,0|0,0,3]=4 3782 B12R0.101 CC=CCN(C)CCC(=O)OCC 2230a_100000745921_100000070051 [0,1,0,0,0,0|1,0,2]=4 3783 B12R0.101 CCC#CC(C)OCC(=O)OCC 34a_100000033903_100000188475 [0,1,0,0,0,0|1,0,2]=4 3784 B12R0.101 CCC#CC(C)OCC(=O)OCC 7a_100000033903_100000188475 [0,1,0,0,0,0|1,0,2]=4 3785 B12R0.101 CCCC(=O)CCN(C)CCOC 1458a_200103286627_100000210303 [0,1,0,0,0,0|3,0,0]=4 3786 B12R0.101 CCCC(=O)COC(C)CCCCl 7a_200000718107_100000747444 [0,1,0,0,0,0|3,0,0]=4 3787 B12R0.101 CCCC(=O)COC(C)COCC 7a_100000718985_100000747444 [0,1,0,0,0,0|3,0,0]=4 3788 B12R0.101 CCCC(=O)NCC(O)COCC 240690a_102515437182_100000211992 [0,1,0,0,0,0|3,0,0]=4 3789 B12R0.101 CCCC(=O)NCC(O)COCC 527a_102515437182_100000211992 [0,1,0,0,0,0|3,0,0]=4 3790 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211992 [0,1,0,0,0,0|3,0,0]=4 3791 B12R0.101 CCCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211992 [0,1,0,0,0,0|3,0,0]=4 3792 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [0,1,0,0,0,0|0,0,3]=4 3793 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,1,0,0,0,0|1,0,1]=3 3794 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,1,0,0,0,0|0,0,1]=2 3795 B12R0.101 CCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210211 [0,1,0,0,0,0|1,0,1]=3 3796 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,1,0,0,0,0|2,0,1]=4 3797 B12R0.101 CCCCC(=O)NCC(=O)NCC 11a_100016988866_100000210183 [0,1,0,0,0,0|2,0,1]=4 3798 B12R0.101 CCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000210183 [0,1,0,0,0,0|2,0,1]=4 3799 B12R0.101 CCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000210183 [0,1,0,0,0,0|2,0,1]=4 3800 B12R0.101 CCCCC(=O)NCC(=O)NCC 527a_100016988866_100000210183 [0,1,0,0,0,0|2,0,1]=4 3801 B12R0.101 CCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000210183 [0,1,0,0,0,0|1,0,1]=3 3802 B12R0.101 CCCCC(C)CCC(=O)CC#N 1458a_100000033779_100011214920 [0,1,0,0,0,0|2,0,1]=4 3803 B12R0.101 CCCCC(C)CCC(=O)CCC 1458a_100000033779_100000210303 [0,1,0,0,0,0|1,0,0]=2 3804 B12R0.101 CCCCC(C)CCC(=O)CCF 1458a_100000033779_100011217306 [0,1,0,0,0,0|2,0,0]=3 3805 B12R0.101 CCCCC(C)CCC(=O)CCO 1458a_100000033779_100000211926 [0,1,0,0,0,0|2,0,0]=3 3806 B12R0.101 CCCCC(C)CCC(=O)NCC 11a_100015525214_100000033779 [0,1,0,0,0,0|1,0,0]=2 3807 B12R0.101 CCCCC(C)CCC(=O)NCC 240690a_100015525214_100000033779 [0,1,0,0,0,0|1,0,0]=2 3808 B12R0.101 CCCCC(C)CCC(=O)NCC 527a_100015525214_100000033779 [0,1,0,0,0,0|1,0,0]=2 3809 B12R0.101 CCCCC(C)CCC(=O)NNC 22a_100016993582_100000033779 [0,1,0,0,0,0|2,0,0]=3 3810 B12R0.101 CCCCC(C)NCC(=O)CCC 2230a_100000126638_100000747444 [0,1,0,0,0,0|2,0,0]=3 3811 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100000126638_100000183381 [0,1,0,0,0,0|2,0,0]=3 3812 B12R0.101 CCCCC(C)NCC(=O)NCC 2230a_100016988866_200011215066 [0,1,0,0,0,0|2,0,0]=3 3813 B12R0.101 CCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210087 [0,1,0,0,0,0|2,0,0]=3 3814 B12R0.101 CCCCC(C)NCC(=O)NCO 2230a_100000126638_100000185155 [0,1,0,0,0,0|3,0,0]=4 3815 B12R0.101 CCCCC(C)NCC(=O)OCC 2230a_100000126638_100000188475 [0,1,0,0,0,0|1,0,0]=2 3816 B12R0.101 CCCCC(C)OCC(=O)CCC 7a_100000687866_100000747444 [0,1,0,0,0,0|2,0,0]=3 3817 B12R0.101 CCCCC(C)OCC(=O)NCC 34a_100000687866_100000183381 [0,1,0,0,0,0|2,0,0]=3 3818 B12R0.101 CCCCC(C)OCC(=O)NCC 7a_100000687866_100000183381 [0,1,0,0,0,0|2,0,0]=3 3819 B12R0.101 CCCCC(C)OCC(=O)NCO 34a_100000687866_100000185155 [0,1,0,0,0,0|3,0,0]=4 3820 B12R0.101 CCCCC(C)OCC(=O)NCO 7a_100000687866_100000185155 [0,1,0,0,0,0|3,0,0]=4 3821 B12R0.101 CCCCC(C)OCC(=O)OCC 34a_100000687866_100000188475 [0,1,0,0,0,0|1,0,0]=2 3822 B12R0.101 CCCCC(C)OCC(=O)OCC 7a_100000687866_100000188475 [0,1,0,0,0,0|1,0,0]=2 3823 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_100000747444_200011215066 [0,1,0,0,0,0|2,0,0]=3 3824 B12R0.101 CCCCC(C)SCC(=O)CCC 62a_200011215066_100000747444 [0,1,0,0,0,0|2,0,0]=3 3825 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_100000183381_200011215066 [0,1,0,0,0,0|2,0,0]=3 3826 B12R0.101 CCCCC(C)SCC(=O)NCC 62a_200011215066_100000183381 [0,1,0,0,0,0|2,0,0]=3 3827 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_100000185155_200011215066 [0,1,0,0,0,0|3,0,0]=4 3828 B12R0.101 CCCCC(C)SCC(=O)NCO 62a_200011215066_100000185155 [0,1,0,0,0,0|3,0,0]=4 3829 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_100000188475_200011215066 [0,1,0,0,0,0|1,0,0]=2 3830 B12R0.101 CCCCC(C)SCC(=O)OCC 62a_200011215066_100000188475 [0,1,0,0,0,0|1,0,0]=2 3831 B12R0.101 CCCCN(C)CCC(=O)NCC 2230a_100000207549_100000737597 [0,1,0,0,0,0|2,0,0]=3 3832 B12R0.101 CCCCN(C)CCC(=O)NCC 269982a_100000207549_100000737597 [0,1,0,0,0,0|2,0,0]=3 3833 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000207549_100011206558 [0,1,0,0,0,0|1,0,0]=2 3834 B12R0.101 CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210211 [0,1,0,0,0,0|1,0,0]=2 3835 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000207549_100011206558 [0,1,0,0,0,0|1,0,0]=2 3836 B12R0.101 CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210211 [0,1,0,0,0,0|1,0,0]=2 3837 B12R0.101 CCCCN(C)COC(=O)CCC 2230a_100000207549_100000034017 [0,1,0,0,0,0|3,0,0]=4 3838 B12R0.101 CCCCN(C)COC(=O)CCC 269982a_100000207549_100000034017 [0,1,0,0,0,0|3,0,0]=4 3839 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [0,1,0,0,0,0|2,0,1]=4 3840 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100015525214_100000199543 [0,1,0,0,0,0|2,0,1]=4 3841 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100020643023_100000199579 [0,1,0,0,0,0|2,0,1]=4 3842 B12R0.101 CCCNC(=O)CCC(=O)NCC 1626a_100020643023_100000199579 [0,1,0,0,0,0|2,0,1]=4 3843 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199543 [0,1,0,0,0,0|2,0,1]=4 3844 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100020643023_100000199579 [0,1,0,0,0,0|2,0,1]=4 3845 B12R0.101 CCCNC(=O)CCC(=O)NCC 527a_100015525214_100000199543 [0,1,0,0,0,0|2,0,1]=4 3846 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,1,0,0,0,0|1,0,1]=3 3847 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,1,0,0,0,0|1,0,1]=3 3848 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,1,0,0,0,0|1,0,1]=3 3849 B12R0.101 CCCNC(=O)CNC(=O)OCC 11a_100020643023_100000190774 [0,1,0,0,0,0|2,0,1]=4 3850 B12R0.101 CCCNC(=O)CNC(=O)OCC 1626a_100020643023_100000190774 [0,1,0,0,0,0|2,0,1]=4 3851 B12R0.101 CCCNC(=O)CNC(=O)OCC 240690a_100020643023_100000190774 [0,1,0,0,0,0|2,0,1]=4 3852 B12R0.101 CCCNC(=O)CNC(=O)OCC 527a_100020643023_100000190774 [0,1,0,0,0,0|2,0,1]=4 3853 B12R0.101 CCCOC(C)CCC(=O)OCC 34a_100000210258_100000748298 [0,1,0,0,0,0|1,0,0]=2 3854 B12R0.101 CCCOC(C)CNC(=O)CCC 11a_100015185124_100000211992 [0,1,0,0,0,0|3,0,0]=4 3855 B12R0.101 CCCOC(C)CNC(=O)CCC 1626a_100015185124_100000211992 [0,1,0,0,0,0|3,0,0]=4 3856 B12R0.101 CCCOC(C)CNC(=O)CCC 240690a_100015185124_100000211992 [0,1,0,0,0,0|3,0,0]=4 3857 B12R0.101 CCCOC(C)CNC(=O)CCC 527a_100015185124_100000211992 [0,1,0,0,0,0|3,0,0]=4 3858 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015185124_100015525214 [0,1,0,0,0,0|3,0,0]=4 3859 B12R0.101 CCCOC(C)CNC(=O)NCC 2708a_100015525214_100015185124 [0,1,0,0,0,0|3,0,0]=4 3860 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015185124_100015525214 [0,1,0,0,0,0|3,0,0]=4 3861 B12R0.101 CCCOC(C)CNC(=O)NCC 273464a_100015525214_100015185124 [0,1,0,0,0,0|3,0,0]=4 3862 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015185124_100015525214 [0,1,0,0,0,0|3,0,0]=4 3863 B12R0.101 CCCOC(C)CNC(=O)NCC 512a_100015525214_100015185124 [0,1,0,0,0,0|3,0,0]=4 3864 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000210303_100000748298 [0,1,0,0,0,0|1,0,0]=2 3865 B12R0.101 CCCSC(C)CCC(=O)OCC 62a_100000748298_100000210303 [0,1,0,0,0,0|1,0,0]=2 3866 B12R0.101 CCNC(=O)CCC(=O)CCCF 1458a_100000199579_100011934791 [0,1,0,0,0,0|2,0,1]=4 3867 B12R0.101 CCNC(=O)CCC(=O)CCCO 1458a_100000199579_100011215043 [0,1,0,0,0,0|2,0,1]=4 3868 B12R0.101 CCNC(=O)CCC(=O)CCOC 1458a_100000199579_100000233755 [0,1,0,0,0,0|2,0,1]=4 3869 B12R0.101 CCNC(=O)CCC(=O)CCSC 1458a_100000199579_100000751147 [0,1,0,0,0,0|2,0,1]=4 3870 B12R0.101 CCNC(=O)CCN(C)CCCO 2230a_100000213112_100000737597 [0,1,0,0,0,0|3,0,0]=4 3871 B12R0.101 CCNC(=O)CCN(C)CCCO 269982a_100000213112_100000737597 [0,1,0,0,0,0|3,0,0]=4 3872 B12R0.101 CCNC(=O)CCN(C)CCOC 2230a_100000743101_100000737597 [0,1,0,0,0,0|3,0,0]=4 3873 B12R0.101 CCNC(=O)CCN(C)CCOC 240690a_100015525214_200103286627 [0,1,0,0,0,0|3,0,0]=4 3874 B12R0.101 CCNC(=O)CCN(C)CCOC 269982a_100000743101_100000737597 [0,1,0,0,0,0|3,0,0]=4 3875 B12R0.101 CCNC(=O)CCN(C)CCSC 2230a_100000686725_100000737597 [0,1,0,0,0,0|3,0,0]=4 3876 B12R0.101 CCNC(=O)CCN(C)CCSC 269982a_100000686725_100000737597 [0,1,0,0,0,0|3,0,0]=4 3877 B12R0.101 CCNC(=O)CNC(C)CCOC 270004a_100016988866_100000742357 [0,1,0,0,0,0|3,0,0]=4 3878 B12R0.101 CCNC(=O)CNC(C)CCSC 270004a_100016988866_100011217047 [0,1,0,0,0,0|3,0,0]=4 3879 B12R0.101 CCNC(=O)CNC(C)CSCC 270004a_100016988866_200011216171 [0,1,0,0,0,0|3,0,0]=4 3880 B12R0.101 CCNC(=O)COC(C)CCCCl 34a_200000718107_100000183381 [0,1,0,0,0,0|3,0,0]=4 3881 B12R0.101 CCNC(=O)COC(C)CCCCl 7a_200000718107_100000183381 [0,1,0,0,0,0|3,0,0]=4 3882 B12R0.101 CCNC(=O)COC(C)COCC 34a_100000718985_100000183381 [0,1,0,0,0,0|3,0,0]=4 3883 B12R0.101 CCNC(=O)COC(C)COCC 7a_100000718985_100000183381 [0,1,0,0,0,0|3,0,0]=4 3884 B12R0.101 CCNC(=O)NCC(O)COCC 2708a_100015525214_102515437182 [0,1,0,0,0,0|3,0,0]=4 3885 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_100015525214_102515437182 [0,1,0,0,0,0|3,0,0]=4 3886 B12R0.101 CCNC(=O)NCC(O)COCC 273464a_102515437182_100015525214 [0,1,0,0,0,0|3,0,0]=4 3887 B12R0.101 CCNC(=O)NCC(O)COCC 512a_102515437182_100015525214 [0,1,0,0,0,0|3,0,0]=4 3888 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 2708a_100015525214_100160569302 [0,1,0,0,0,0|3,0,0]=4 3889 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100015525214_100160569302 [0,1,0,0,0,0|3,0,0]=4 3890 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 273464a_100160569302_100015525214 [0,1,0,0,0,0|3,0,0]=4 3891 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100015525214_100160569302 [0,1,0,0,0,0|3,0,0]=4 3892 B12R0.101 CCNC(=O)NC[C@H](C)CCCO 512a_100160569302_100015525214 [0,1,0,0,0,0|3,0,0]=4 3893 B12R0.101 CCNCC(=O)NCC(=O)OCC 2230a_100015525214_100011215850 [0,1,0,0,0,0|2,0,1]=4 3894 B12R0.101 CCNN=C(C)CCC(=O)OCC 4a_100000756455_100011212338 [0,1,0,0,0,0|2,0,1]=4 3895 B12R0.101 CCOC(=O)CCC(=O)CCC#N 1458a_100000183558_100011215226 [0,1,0,0,0,0|1,0,2]=4 3896 B12R0.101 CCOC(=O)CCC(=O)CCCF 1458a_100000183558_100011934791 [0,1,0,0,0,0|1,0,1]=3 3897 B12R0.101 CCOC(=O)CCC(=O)CCCO 1458a_100000183558_100011215043 [0,1,0,0,0,0|1,0,1]=3 3898 B12R0.101 CCOC(=O)CCC(=O)CCOC 1458a_100000183558_100000233755 [0,1,0,0,0,0|1,0,1]=3 3899 B12R0.101 CCOC(=O)CCC(=O)CCSC 1458a_100000183558_100000751147 [0,1,0,0,0,0|1,0,1]=3 3900 B12R0.101 CCOC(=O)CCC(=O)NCCF 11a_100000724931_100000183558 [0,1,0,0,0,0|2,0,1]=4 3901 B12R0.101 CCOC(=O)CCC(=O)NCCF 1626a_100000724931_100000183558 [0,1,0,0,0,0|2,0,1]=4 3902 B12R0.101 CCOC(=O)CCC(=O)NCCF 240690a_100000724931_100000183558 [0,1,0,0,0,0|2,0,1]=4 3903 B12R0.101 CCOC(=O)CCC(=O)NCCO 240690a_100000210304_100000183558 [0,1,0,0,0,0|2,0,1]=4 3904 B12R0.101 CCOC(=O)CCC(C)NCCF 34a_100000724931_100000748298 [0,1,0,0,0,0|2,0,0]=3 3905 B12R0.101 CCOC(=O)CCC(C)NCCO 2230a_100016997473_100000748298 [0,1,0,0,0,0|2,0,0]=3 3906 B12R0.101 CCOC(=O)CCC(C)NCCO 34a_100016990907_100000748298 [0,1,0,0,0,0|2,0,0]=3 3907 B12R0.101 CCOC(=O)CCC(C)OCCBr 34a_100000211926_100000748298 [0,1,0,0,0,0|2,0,0]=3 3908 B12R0.101 CCOC(=O)CCC(C)OCCN 34a_100000210304_100000748298 [0,1,0,0,0,0|2,0,0]=3 3909 B12R0.101 CCOC(=O)CCC(C)SCC#N 62a_100000748298_100011215382 [0,1,0,0,0,0|2,0,1]=4 3910 B12R0.101 CCOC(=O)CCC(C)SCC#N 62a_100011215382_100000748298 [0,1,0,0,0,0|2,0,1]=4 3911 B12R0.101 CCOC(=O)CCC(C)SCC=O 62a_100000748298_200015260668 [0,1,0,0,0,0|2,0,1]=4 3912 B12R0.101 CCOC(=O)CCC(C)SCC=O 62a_200015260668_100000748298 [0,1,0,0,0,0|2,0,1]=4 3913 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100000748298_100011217306 [0,1,0,0,0,0|2,0,0]=3 3914 B12R0.101 CCOC(=O)CCC(C)SCCF 62a_100011217306_100000748298 [0,1,0,0,0,0|2,0,0]=3 3915 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000211926_100000748298 [0,1,0,0,0,0|2,0,0]=3 3916 B12R0.101 CCOC(=O)CCC(C)SCCO 62a_100000748298_100000211926 [0,1,0,0,0,0|2,0,0]=3 3917 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000748298_100000766300 [0,1,0,0,0,0|2,0,0]=3 3918 B12R0.101 CCOC(=O)CCC(C)SCOC 62a_100000766300_100000748298 [0,1,0,0,0,0|2,0,0]=3 3919 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100000748298_100011218213 [0,1,0,0,0,0|2,0,0]=3 3920 B12R0.101 CCOC(=O)CCC(C)SCSC 62a_100011218213_100000748298 [0,1,0,0,0,0|2,0,0]=3 3921 B12R0.101 CCOC(=O)CCN(C)CCC#N 2230a_100000184479_100011206558 [0,1,0,0,0,0|2,0,1]=4 3922 B12R0.101 CCOC(=O)CCN(C)CCC#N 2230a_100000745921_100011215226 [0,1,0,0,0,0|2,0,1]=4 3923 B12R0.101 CCOC(=O)CCN(C)CCC#N 269982a_100000745921_100011215226 [0,1,0,0,0,0|2,0,1]=4 3924 B12R0.101 CCOC(=O)CCN(C)CCCF 2230a_100000745921_100011934791 [0,1,0,0,0,0|2,0,0]=3 3925 B12R0.101 CCOC(=O)CCN(C)CCCF 269982a_100000745921_100011934791 [0,1,0,0,0,0|2,0,0]=3 3926 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000213112_100011206558 [0,1,0,0,0,0|2,0,0]=3 3927 B12R0.101 CCOC(=O)CCN(C)CCCO 2230a_100000745921_100000230001 [0,1,0,0,0,0|2,0,0]=3 3928 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000213112_100011206558 [0,1,0,0,0,0|2,0,0]=3 3929 B12R0.101 CCOC(=O)CCN(C)CCCO 269982a_100000745921_100011215043 [0,1,0,0,0,0|2,0,0]=3 3930 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000743101_100011206558 [0,1,0,0,0,0|2,0,0]=3 3931 B12R0.101 CCOC(=O)CCN(C)CCOC 2230a_100000745921_100011201679 [0,1,0,0,0,0|2,0,0]=3 3932 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000743101_100011206558 [0,1,0,0,0,0|2,0,0]=3 3933 B12R0.101 CCOC(=O)CCN(C)CCOC 269982a_100000745921_100000233755 [0,1,0,0,0,0|2,0,0]=3 3934 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000686725_100011206558 [0,1,0,0,0,0|2,0,0]=3 3935 B12R0.101 CCOC(=O)CCN(C)CCSC 2230a_100000745921_100000751147 [0,1,0,0,0,0|2,0,0]=3 3936 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000686725_100011206558 [0,1,0,0,0,0|2,0,0]=3 3937 B12R0.101 CCOC(=O)CCN(C)CCSC 269982a_100000745921_100000212216 [0,1,0,0,0,0|2,0,0]=3 3938 B12R0.101 CCOC(=O)CNC(=O)CCOC 188690a_100000741813_100000749529 [0,1,0,0,0,0|2,0,1]=4 3939 B12R0.101 CCOC(=O)CNC(=O)CCSC 188690a_100000741813_100000174002 [0,1,0,0,0,0|2,0,1]=4 3940 B12R0.101 CCOC(=O)CNC(=O)CSCC 188690a_100000741813_100000230394 [0,1,0,0,0,0|2,0,1]=4 3941 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100000210202_100011215850 [0,1,0,0,0,0|2,0,1]=4 3942 B12R0.101 CCOC(=O)CNC(=O)CSCC 62a_100011215850_100000210202 [0,1,0,0,0,0|2,0,1]=4 3943 B12R0.101 CCOC(=O)COC(C)CCCCl 34a_200000718107_100000188475 [0,1,0,0,0,0|2,0,0]=3 3944 B12R0.101 CCOC(=O)COC(C)CCCCl 7a_200000718107_100000188475 [0,1,0,0,0,0|2,0,0]=3 3945 B12R0.101 CCOC(=O)NCC(=O)CCCF 1458a_100000190774_100011934791 [0,1,0,0,0,0|2,0,1]=4 3946 B12R0.101 CCOC(=O)NCC(=O)CCCO 1458a_100000190774_100011215043 [0,1,0,0,0,0|2,0,1]=4 3947 B12R0.101 CCOC(=O)NCC(=O)CCOC 1458a_100000190774_100000233755 [0,1,0,0,0,0|2,0,1]=4 3948 B12R0.101 CCOC(=O)NCC(=O)CCSC 1458a_100000190774_100000751147 [0,1,0,0,0,0|2,0,1]=4 3949 B12R0.101 CCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000211967 [0,1,0,0,0,0|2,0,1]=4 3950 B12R0.101 CCOCC(=O)NCC(=O)OCC 34a_100121572206_100011215850 [0,1,0,0,0,0|2,0,1]=4 3951 B12R0.101 CCOCC(C)OCC(=O)OCC 34a_100000718985_100000188475 [0,1,0,0,0,0|2,0,0]=3 3952 B12R0.101 CCOCC(C)OCC(=O)OCC 7a_100000718985_100000188475 [0,1,0,0,0,0|2,0,0]=3 3953 B12R0.101 CCOCN(C)CCC(=O)OCC 269982a_100000745921_100000739092 [0,1,0,0,0,0|2,0,0]=3 3954 B12R0.114 C#CCC(=O)C(C)CCCCCC 1458a_100011220946_100011215978 [0,1,0,0,0,0|1,0,2]=4 3955 B12R0.114 C#CCC(=O)C(O)CCCCCC 1458a_100011215828_100000184674 [0,1,0,0,0,0|1,0,2]=4 3956 B12R0.114 C#CCCCNC(C)C(=O)OCC 34a_100000718082_100011216346 [0,1,0,0,0,0|1,0,2]=4 3957 B12R0.114 C#CCCCNC(F)C(=O)OCC 34a_100000718082_100000760018 [0,1,0,0,0,0|1,0,2]=4 3958 B12R0.114 C#CCCCOC(C)C(=O)OCC 34a_100000215630_100011216346 [0,1,0,0,0,0|1,0,2]=4 3959 B12R0.114 C#CCCCOC(C)C(=O)OCC 7a_100000215630_100011216346 [0,1,0,0,0,0|1,0,2]=4 3960 B12R0.114 C#CCCCOC(F)C(=O)OCC 34a_100000215630_100000760018 [0,1,0,0,0,0|1,0,2]=4 3961 B12R0.114 C#CCCCOC(F)C(=O)OCC 7a_100000215630_100000040065 [0,1,0,0,0,0|1,0,2]=4 3962 B12R0.114 C#CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215417 [0,1,0,0,0,0|1,0,2]=4 3963 B12R0.114 C#CCCCSC(C)C(=O)OCC 62a_100011215417_100011216346 [0,1,0,0,0,0|1,0,2]=4 3964 B12R0.114 C#CCCCSC(C)C(=O)OCC 62a_100011216346_100011215417 [0,1,0,0,0,0|1,0,2]=4 3965 B12R0.114 C#CCCCSC(F)C(=O)OCC 62a_100000760018_100011215417 [0,1,0,0,0,0|1,0,2]=4 3966 B12R0.114 C#CCCCSC(F)C(=O)OCC 62a_100011215417_100000760018 [0,1,0,0,0,0|1,0,2]=4 3967 B12R0.114 C/C=C/CCOC(C)C(=O)OCC 34a_100016278192_100011216346 [0,1,0,0,0,0|1,0,2]=4 3968 B12R0.114 C/C=C/CCOC(F)C(=O)OCC 34a_100016278192_100000760018 [0,1,0,0,0,0|1,0,2]=4 3969 B12R0.114 C=C(CNCCCC)C(=O)OCC 7a_106832991798_100000755967 [0,1,0,0,0,0|1,0,1]=3 3970 B12R0.114 C=C(CNCCCF)C(=O)OCC 34a_100015189416_100000755967 [0,1,0,0,0,0|2,0,1]=4 3971 B12R0.114 C=C(COCCCBr)C(=O)OCC 34a_100011217188_100000755967 [0,1,0,0,0,0|2,0,1]=4 3972 B12R0.114 C=C(COCCCC)C(=O)OCC 34a_100000210227_100000755967 [0,1,0,0,0,0|1,0,1]=3 3973 B12R0.114 C=C(COCCCC)C(=O)OCC 7a_100000210227_100000755967 [0,1,0,0,0,0|1,0,1]=3 3974 B12R0.114 C=C(COCCCCl)C(=O)OCC 34a_100000230001_100000755967 [0,1,0,0,0,0|2,0,1]=4 3975 B12R0.114 C=C(COCCCF)C(=O)OCC 34a_100000759539_100000755967 [0,1,0,0,0,0|2,0,1]=4 3976 B12R0.114 C=C(COCCCN)C(=O)OCC 34a_100000182051_100000755967 [0,1,0,0,0,0|2,0,1]=4 3977 B12R0.114 C=C(COCCOC)C(=O)OCC 34a_100000210237_100000755967 [0,1,0,0,0,0|2,0,1]=4 3978 B12R0.114 C=C(COCCSC)C(=O)OCC 34a_100000230434_100000755967 [0,1,0,0,0,0|2,0,1]=4 3979 B12R0.114 C=C(COCCSC)C(=O)OCC 7a_100000230434_100000755967 [0,1,0,0,0,0|2,0,1]=4 3980 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000210211_100000755967 [0,1,0,0,0,0|1,0,1]=3 3981 B12R0.114 C=C(CSCCCC)C(=O)OCC 62a_100000755967_100000210210 [0,1,0,0,0,0|1,0,1]=3 3982 B12R0.114 C=C(CSCCCF)C(=O)OCC 62a_100000755967_100011934791 [0,1,0,0,0,0|2,0,1]=4 3983 B12R0.114 C=C(CSCCCF)C(=O)OCC 62a_100011934791_100000755967 [0,1,0,0,0,0|2,0,1]=4 3984 B12R0.114 C=C(CSCCCO)C(=O)OCC 62a_100000755967_100011215043 [0,1,0,0,0,0|2,0,1]=4 3985 B12R0.114 C=C(CSCCCO)C(=O)OCC 62a_100011215043_100000755967 [0,1,0,0,0,0|2,0,1]=4 3986 B12R0.114 C=C(CSCCOC)C(=O)OCC 62a_100000233755_100000755967 [0,1,0,0,0,0|2,0,1]=4 3987 B12R0.114 C=C(CSCCOC)C(=O)OCC 62a_100000755967_100000233755 [0,1,0,0,0,0|2,0,1]=4 3988 B12R0.114 C=C(CSCCSC)C(=O)OCC 62a_100000212216_100000755967 [0,1,0,0,0,0|2,0,1]=4 3989 B12R0.114 C=C(CSCCSC)C(=O)OCC 62a_100000755967_100000751147 [0,1,0,0,0,0|2,0,1]=4 3990 B12R0.114 C=C(CSCOCC)C(=O)OCC 62a_100000739092_100000755967 [0,1,0,0,0,0|2,0,1]=4 3991 B12R0.114 C=C(CSCOCC)C(=O)OCC 62a_100000755967_100000739092 [0,1,0,0,0,0|2,0,1]=4 3992 B12R0.114 C=CCC(=O)C(C)CCCCCC 1458a_100000210193_100011215978 [0,1,0,0,0,0|1,0,2]=4 3993 B12R0.114 C=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000210623 [0,1,0,0,0,0|1,0,2]=4 3994 B12R0.114 C=CCCCNC(C)C(=O)OCC 2230a_100000700776_100011215307 [0,1,0,0,0,0|1,0,2]=4 3995 B12R0.114 C=CCCCNC(C)C(=O)OCC 34a_100000700776_100011216346 [0,1,0,0,0,0|1,0,2]=4 3996 B12R0.114 C=CCCCNC(F)C(=O)OCC 2230a_100000700776_100000760018 [0,1,0,0,0,0|1,0,2]=4 3997 B12R0.114 C=CCCCNC(F)C(=O)OCC 34a_100000700776_100000760018 [0,1,0,0,0,0|1,0,2]=4 3998 B12R0.114 C=CCCCOC(C)C(=O)OCC 34a_100000758997_100011216346 [0,1,0,0,0,0|1,0,2]=4 3999 B12R0.114 C=CCCCOC(C)C(=O)OCC 7a_100000758997_100011216346 [0,1,0,0,0,0|1,0,2]=4 4000 B12R0.114 C=CCCCOC(F)C(=O)OCC 34a_100000758997_100000760018 [0,1,0,0,0,0|1,0,2]=4 4001 B12R0.114 C=CCCCOC(F)C(=O)OCC 7a_100000758997_100000040065 [0,1,0,0,0,0|1,0,2]=4 4002 B12R0.114 C=CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000757094 [0,1,0,0,0,0|1,0,2]=4 4003 B12R0.114 C=CCCCSC(C)C(=O)OCC 62a_100011216346_100000757094 [0,1,0,0,0,0|1,0,2]=4 4004 B12R0.114 C=CCCCSC(C)C(=O)OCC 62a_100011713584_100011216346 [0,1,0,0,0,0|1,0,2]=4 4005 B12R0.114 C=CCCCSC(F)C(=O)OCC 62a_100000760018_100000757094 [0,1,0,0,0,0|1,0,2]=4 4006 B12R0.114 C=CCCCSC(F)C(=O)OCC 62a_100011713584_100000760018 [0,1,0,0,0,0|1,0,2]=4 4007 B12R0.114 CC#CC(=O)C(C)CCCCCC 1458a_100000763181_100011215978 [0,1,0,0,0,0|1,0,1]=3 4008 B12R0.114 CC#CCCOC(C)C(=O)OCC 34a_100000750427_100011216346 [0,1,0,0,0,0|1,0,2]=4 4009 B12R0.114 CC#CCCOC(F)C(=O)OCC 34a_100000750427_100000760018 [0,1,0,0,0,0|1,0,2]=4 4010 B12R0.114 CC/C=C(\C)/C(=O)CCCCCC 1458a_100016988807_100000210757 [0,1,0,0,0,0|2,0,1]=4 4011 B12R0.114 CC/C=C\COC(C)C(=O)OCC 34a_100016268518_100011216346 [0,1,0,0,0,0|1,0,2]=4 4012 B12R0.114 CC/C=C\COC(F)C(=O)OCC 34a_100016268518_100000760018 [0,1,0,0,0,0|1,0,2]=4 4013 B12R0.114 CC/C=C\CO[C@@H](C)C(=O)OCC 7a_100000751109_100103147603 [0,1,0,0,0,0|1,0,2]=4 4014 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100011216346_100103147603 [0,1,0,0,0,0|1,0,2]=4 4015 B12R0.114 CC/C=C\CSC(C)C(=O)OCC 62a_100103147603_100011216346 [0,1,0,0,0,0|1,0,2]=4 4016 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100000760018_100103147603 [0,1,0,0,0,0|1,0,2]=4 4017 B12R0.114 CC/C=C\CSC(F)C(=O)OCC 62a_100103147603_100000760018 [0,1,0,0,0,0|1,0,2]=4 4018 B12R0.114 CC=CC(=O)C(C)CCCCCC 1458a_100000210699_100011215978 [0,1,0,0,0,0|1,0,1]=3 4019 B12R0.114 CC=CC(=O)N(C)CCCCCC 11a_106256046315_100000210699 [0,1,0,0,0,0|2,0,1]=4 4020 B12R0.114 CC=CC(=O)N(C)CCCCCC 1626a_106256046315_100000210699 [0,1,0,0,0,0|2,0,1]=4 4021 B12R0.114 CC=CC(=O)N(C)CCCCCC 240690a_106256046315_100000210699 [0,1,0,0,0,0|2,0,1]=4 4022 B12R0.114 CCC#CCOC(C)C(=O)OCC 34a_100000032950_100011216346 [0,1,0,0,0,0|1,0,2]=4 4023 B12R0.114 CCC#CCOC(F)C(=O)OCC 34a_100000032950_100000760018 [0,1,0,0,0,0|1,0,2]=4 4024 B12R0.114 CCC#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100009813939 [0,1,0,0,0,0|1,0,2]=4 4025 B12R0.114 CCC#CCSC(C)C(=O)OCC 62a_100009813939_100011216346 [0,1,0,0,0,0|1,0,2]=4 4026 B12R0.114 CCC#CCSC(C)C(=O)OCC 62a_100011216346_100009813939 [0,1,0,0,0,0|1,0,2]=4 4027 B12R0.114 CCC#CCSC(F)C(=O)OCC 62a_100000760018_100009813939 [0,1,0,0,0,0|1,0,2]=4 4028 B12R0.114 CCC#CCSC(F)C(=O)OCC 62a_100009813939_100000760018 [0,1,0,0,0,0|1,0,2]=4 4029 B12R0.114 CCCC(=O)C(C)OCCOCC 1458a_100000743585_100000210303 [0,1,0,0,0,0|3,0,0]=4 4030 B12R0.114 CCCC(=O)N(C)CCCCCO 240690a_100000722520_100000211992 [0,1,0,0,0,0|3,0,0]=4 4031 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,1,0,0,0,0|1,0,1]=3 4032 B12R0.114 CCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210757 [0,1,0,0,0,0|1,0,2]=4 4033 B12R0.114 CCCCCCC(C)C(=O)C=CBr 1458a_100016273825_100011215978 [0,1,0,0,0,0|2,0,1]=4 4034 B12R0.114 CCCCCCC(C)C(=O)C=CCl 1458a_200016279998_100011215978 [0,1,0,0,0,0|2,0,1]=4 4035 B12R0.114 CCCCCCC(C)C(=O)C=CI 1458a_100016256311_100011215978 [0,1,0,0,0,0|2,0,1]=4 4036 B12R0.114 CCCCCCC(C)C(=O)CC#N 1458a_100051588842_100011215978 [0,1,0,0,0,0|2,0,1]=4 4037 B12R0.114 CCCCCCC(C)C(=O)CCC 1458a_100000211992_100011215978 [0,1,0,0,0,0|1,0,0]=2 4038 B12R0.114 CCCCCCC(C)C(=O)CCO 1458a_100011216618_100011215978 [0,1,0,0,0,0|2,0,0]=3 4039 B12R0.114 CCCCCCC(C)C(=O)COC 1458a_100000210968_100011215978 [0,1,0,0,0,0|2,0,0]=3 4040 B12R0.114 CCCCCCC(C)C(=O)CSC 1458a_100000184570_100011215978 [0,1,0,0,0,0|2,0,0]=3 4041 B12R0.114 CCCCCCC(C)N(C)CCC 2230a_100000747261_100011215978 [0,1,0,0,0,0|3,0,0]=4 4042 B12R0.114 CCCCCCC(C)N(C)CCC 269982a_100000747261_100011215978 [0,1,0,0,0,0|3,0,0]=4 4043 B12R0.114 CCCCCCC(C)N(C)CCC 270004a_100000747261_100000210826 [0,1,0,0,0,0|3,0,0]=4 4044 B12R0.114 CCCCCCC(O)C(=O)CC#N 1458a_100011215828_100011214920 [0,1,0,0,0,0|2,0,1]=4 4045 B12R0.114 CCCCCCC(O)C(=O)CCC 1458a_100011215828_100000210303 [0,1,0,0,0,0|1,0,0]=2 4046 B12R0.114 CCCCCCC(O)C(=O)CCF 1458a_100011215828_100011217306 [0,1,0,0,0,0|2,0,0]=3 4047 B12R0.114 CCCCCCC(O)C(=O)CCO 1458a_100011215828_100000211926 [0,1,0,0,0,0|2,0,0]=3 4048 B12R0.114 CCCCCCC(O)C(=O)NCC 240690a_100015525214_100011215828 [0,1,0,0,0,0|1,0,0]=2 4049 B12R0.114 CCCCCCC(O)C(=O)NNC 22a_100016993582_100011215828 [0,1,0,0,0,0|2,0,0]=3 4050 B12R0.114 CCCCCCN(C)C(=O)CCC 11a_106256046315_100000211992 [0,1,0,0,0,0|2,0,0]=3 4051 B12R0.114 CCCCCCN(C)C(=O)CCC 1626a_106256046315_100000211992 [0,1,0,0,0,0|2,0,0]=3 4052 B12R0.114 CCCCCCN(C)C(=O)CCC 240690a_106256046315_100000211992 [0,1,0,0,0,0|2,0,0]=3 4053 B12R0.114 CCCCCCN(C)C(=O)CCC 527a_106256046315_100000211992 [0,1,0,0,0,0|2,0,0]=3 4054 B12R0.114 CCCCCCN(C)C(=O)CCO 240690a_106256046315_100011216618 [0,1,0,0,0,0|3,0,0]=4 4055 B12R0.114 CCCCCCN(C)C(=O)COC 11a_106256046315_100000210968 [0,1,0,0,0,0|3,0,0]=4 4056 B12R0.114 CCCCCCN(C)C(=O)COC 1626a_106256046315_100000210968 [0,1,0,0,0,0|3,0,0]=4 4057 B12R0.114 CCCCCCN(C)C(=O)COC 240690a_106256046315_100000210968 [0,1,0,0,0,0|3,0,0]=4 4058 B12R0.114 CCCCCCN(C)C(=O)COC 527a_106256046315_100000210968 [0,1,0,0,0,0|3,0,0]=4 4059 B12R0.114 CCCCCCN(C)C(=O)CSC 11a_106256046315_100000184570 [0,1,0,0,0,0|3,0,0]=4 4060 B12R0.114 CCCCCCN(C)C(=O)CSC 1626a_106256046315_100000184570 [0,1,0,0,0,0|3,0,0]=4 4061 B12R0.114 CCCCCCN(C)C(=O)CSC 240690a_106256046315_100000184570 [0,1,0,0,0,0|3,0,0]=4 4062 B12R0.114 CCCCCCN(C)C(=O)CSC 527a_106256046315_100000184570 [0,1,0,0,0,0|3,0,0]=4 4063 B12R0.114 CCCCCCN(C)C(=O)NCC 2708a_100015525214_106256046315 [0,1,0,0,0,0|2,0,0]=3 4064 B12R0.114 CCCCCCN(C)C(=O)NCC 273464a_100015525214_106256046315 [0,1,0,0,0,0|2,0,0]=3 4065 B12R0.114 CCCCCNC(=O)C(=O)NCC 1626a_100000209983_200011297158 [0,1,0,0,0,0|2,0,1]=4 4066 B12R0.114 CCCCCNC(=O)C(=O)NCC 240690a_100000209983_200011297158 [0,1,0,0,0,0|2,0,1]=4 4067 B12R0.114 CCCCCNC(=O)C(=O)NCC 527a_100000209983_200011297158 [0,1,0,0,0,0|2,0,1]=4 4068 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [0,1,0,0,0,0|1,0,1]=3 4069 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [0,1,0,0,0,0|1,0,1]=3 4070 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [0,1,0,0,0,0|1,0,1]=3 4071 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000209983_100000230173 [0,1,0,0,0,0|2,0,0]=3 4072 B12R0.114 CCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210326 [0,1,0,0,0,0|2,0,0]=3 4073 B12R0.114 CCCCCNC(C)C(=O)NCC 34a_100000736553_100000718602 [0,1,0,0,0,0|2,0,0]=3 4074 B12R0.114 CCCCCNC(C)C(=O)OCC 2230a_100000209983_100011215307 [0,1,0,0,0,0|1,0,0]=2 4075 B12R0.114 CCCCCNC(F)C(=O)OCC 2230a_100000209983_100000760018 [0,1,0,0,0,0|1,0,0]=2 4076 B12R0.114 CCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210326 [0,1,0,0,0,0|1,1,0]=3 4077 B12R0.114 CCCCCOC(C)C(=O)NCC 34a_100000210253_100000230173 [0,1,0,0,0,0|2,0,0]=3 4078 B12R0.114 CCCCCOC(C)C(=O)NCC 7a_100000210253_100000230173 [0,1,0,0,0,0|2,0,0]=3 4079 B12R0.114 CCCCCOC(C)C(=O)OCC 34a_100000210253_100011216346 [0,1,0,0,0,0|1,0,0]=2 4080 B12R0.114 CCCCCOC(C)C(=O)OCC 7a_100000210253_100011216346 [0,1,0,0,0,0|1,0,0]=2 4081 B12R0.114 CCCCCOC(F)C(=O)OCC 34a_100000210253_100000760018 [0,1,0,0,0,0|1,0,0]=2 4082 B12R0.114 CCCCCOC(F)C(=O)OCC 7a_100000210253_100000040065 [0,1,0,0,0,0|1,0,0]=2 4083 B12R0.114 CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210326 [0,1,0,0,0,0|1,0,0]=2 4084 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000210326_100000230173 [0,1,0,0,0,0|2,0,0]=3 4085 B12R0.114 CCCCCSC(C)C(=O)NCC 62a_100000230173_100000210326 [0,1,0,0,0,0|2,0,0]=3 4086 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100000210326_100011216346 [0,1,0,0,0,0|1,0,0]=2 4087 B12R0.114 CCCCCSC(C)C(=O)OCC 62a_100011216346_100000210326 [0,1,0,0,0,0|1,0,0]=2 4088 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000210326_100000760018 [0,1,0,0,0,0|1,0,0]=2 4089 B12R0.114 CCCCCSC(F)C(=O)OCC 62a_100000760018_100000210326 [0,1,0,0,0,0|1,0,0]=2 4090 B12R0.114 CCCCNN=C(C)C(=O)OCC 4a_100025702795_100000209952 [0,1,0,0,0,0|2,0,1]=4 4091 B12R0.114 CCCCOCC(=O)C(=O)NCC 1458a_200011297158_100011995733 [0,1,0,0,0,0|2,0,1]=4 4092 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [0,1,0,0,0,0|1,0,1]=3 4093 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [0,1,0,0,0,0|1,0,1]=3 4094 B12R0.114 CCCOCCC(=O)C(=O)NCC 1458a_200011297158_100011215938 [0,1,0,0,0,0|2,0,1]=4 4095 B12R0.114 CCNC(=O)C(=O)CCCCCF 1458a_200011297158_100000729378 [0,1,0,0,0,0|2,0,1]=4 4096 B12R0.114 CCNC(=O)C(=O)CCCCCO 1458a_200011297158_100000746330 [0,1,0,0,0,0|2,0,1]=4 4097 B12R0.114 CCNC(=O)C(=O)CCCCOC 1458a_200011297158_100000755781 [0,1,0,0,0,0|2,0,1]=4 4098 B12R0.114 CCNC(=O)C(=O)CCCOCC 1458a_200011297158_100012232248 [0,1,0,0,0,0|2,0,1]=4 4099 B12R0.114 CCNC(=O)C(C)NCCCCF 2230a_100000736553_100000729493 [0,1,0,0,0,0|3,0,0]=4 4100 B12R0.114 CCNC(=O)C(C)NCCCCF 34a_100000736553_100000729493 [0,1,0,0,0,0|3,0,0]=4 4101 B12R0.114 CCNC(=O)C(C)NCCCCO 2230a_100000736553_100000210776 [0,1,0,0,0,0|3,0,0]=4 4102 B12R0.114 CCNC(=O)C(C)NCCCCO 2230a_100000750430_100000230173 [0,1,0,0,0,0|3,0,0]=4 4103 B12R0.114 CCNC(=O)C(C)NCCCCO 34a_100000736553_100011216708 [0,1,0,0,0,0|3,0,0]=4 4104 B12R0.114 CCNC(=O)C(C)NCCCCO 34a_100000750430_100000230173 [0,1,0,0,0,0|3,0,0]=4 4105 B12R0.114 CCNC(=O)C(C)NCCCOC 2230a_100000736553_100000740836 [0,1,0,0,0,0|3,0,0]=4 4106 B12R0.114 CCNC(=O)C(C)NCCCOC 34a_100000736553_100000740836 [0,1,0,0,0,0|3,0,0]=4 4107 B12R0.114 CCNC(=O)C(C)NCCCOC 34a_100150723488_100000230173 [0,1,0,0,0,0|3,0,0]=4 4108 B12R0.114 CCNC(=O)C(C)NCCCSC 2230a_100000749238_100000230173 [0,1,0,0,0,0|3,0,0]=4 4109 B12R0.114 CCNC(=O)C(C)NCCOCC 2230a_100000736553_100011215890 [0,1,0,0,0,0|3,0,0]=4 4110 B12R0.114 CCNC(=O)C(C)NCCOCC 2230a_102516460346_100000230173 [0,1,0,0,0,0|3,0,0]=4 4111 B12R0.114 CCNC(=O)C(C)NCCOCC 34a_100000736553_100000210147 [0,1,0,0,0,0|3,0,0]=4 4112 B12R0.114 CCNC(=O)C(C)NCCOCC 34a_102516460346_100000230173 [0,1,0,0,0,0|3,0,0]=4 4113 B12R0.114 CCNC(=O)C(C)NCCSCC 2230a_100000106463_100000230173 [0,1,0,0,0,0|3,0,0]=4 4114 B12R0.114 CCNC(=O)C(C)NCCSCC 2230a_100000736553_100000757381 [0,1,0,0,0,0|3,0,0]=4 4115 B12R0.114 CCNC(=O)C(C)NCCSCC 34a_100000736553_100000757381 [0,1,0,0,0,0|3,0,0]=4 4116 B12R0.114 CCNC(=O)C(C)OCCCCBr 34a_100011216708_100000230173 [0,1,0,0,0,0|3,0,0]=4 4117 B12R0.114 CCNC(=O)C(C)OCCCCCl 34a_100000210776_100000230173 [0,1,0,0,0,0|3,0,0]=4 4118 B12R0.114 CCNC(=O)C(C)OCCCCCl 7a_100000210776_100000230173 [0,1,0,0,0,0|3,0,0]=4 4119 B12R0.114 CCNC(=O)C(C)OCCCCF 34a_100011995726_100000230173 [0,1,0,0,0,0|3,0,0]=4 4120 B12R0.114 CCNC(=O)C(C)OCCCCF 7a_100011995726_100000230173 [0,1,0,0,0,0|3,0,0]=4 4121 B12R0.114 CCNC(=O)C(C)OCCCCI 34a_200012148704_100000230173 [0,1,0,0,0,0|3,0,0]=4 4122 B12R0.114 CCNC(=O)C(C)OCCCCN 34a_100000750430_100000230173 [0,1,0,0,0,0|3,0,0]=4 4123 B12R0.114 CCNC(=O)C(C)OCCCNC 34a_100000213112_100000230173 [0,1,0,0,0,0|3,0,0]=4 4124 B12R0.114 CCNC(=O)C(C)OCCCOC 34a_100000740835_100000230173 [0,1,0,0,0,0|3,0,0]=4 4125 B12R0.114 CCNC(=O)C(C)OCCCSC 34a_100000690336_100000230173 [0,1,0,0,0,0|3,0,0]=4 4126 B12R0.114 CCNC(=O)C(C)OCCCSC 7a_100000690336_100000230173 [0,1,0,0,0,0|3,0,0]=4 4127 B12R0.114 CCNC(=O)C(C)OCCOCC 11a_100015525214_100000743585 [0,1,0,0,0,0|3,0,0]=4 4128 B12R0.114 CCNC(=O)C(C)OCCOCC 240690a_100015525214_100000743585 [0,1,0,0,0,0|3,0,0]=4 4129 B12R0.114 CCNC(=O)C(C)OCCOCC 34a_100000210136_100000230173 [0,1,0,0,0,0|3,0,0]=4 4130 B12R0.114 CCNC(=O)C(C)OCCOCC 527a_100015525214_100000743585 [0,1,0,0,0,0|3,0,0]=4 4131 B12R0.114 CCNC(=O)C(C)OCCOCC 7a_100000210136_100000230173 [0,1,0,0,0,0|3,0,0]=4 4132 B12R0.114 CCNC(=O)C(C)OCCSCC 34a_100000212035_100000230173 [0,1,0,0,0,0|3,0,0]=4 4133 B12R0.114 CCNC(=O)C(C)OCCSCC 7a_100000212035_100000230173 [0,1,0,0,0,0|3,0,0]=4 4134 B12R0.114 CCNC(=O)C(C)SCCCCF 62a_100000230173_100000729493 [0,1,0,0,0,0|3,0,0]=4 4135 B12R0.114 CCNC(=O)C(C)SCCCCF 62a_100000729493_100000230173 [0,1,0,0,0,0|3,0,0]=4 4136 B12R0.114 CCNC(=O)C(C)SCCCCO 62a_100000210776_100000230173 [0,1,0,0,0,0|3,0,0]=4 4137 B12R0.114 CCNC(=O)C(C)SCCCCO 62a_100000230173_100000210776 [0,1,0,0,0,0|3,0,0]=4 4138 B12R0.114 CCNC(=O)C(C)SCCCOC 62a_100000230173_100000709357 [0,1,0,0,0,0|3,0,0]=4 4139 B12R0.114 CCNC(=O)C(C)SCCCOC 62a_100000709357_100000230173 [0,1,0,0,0,0|3,0,0]=4 4140 B12R0.114 CCNC(=O)C(C)SCCOCC 62a_100000210147_100000230173 [0,1,0,0,0,0|3,0,0]=4 4141 B12R0.114 CCNC(=O)C(C)SCCOCC 62a_100000230173_100011215890 [0,1,0,0,0,0|3,0,0]=4 4142 B12R0.114 CCNC(=O)C(C)SCCSCC 62a_100000230173_100000757381 [0,1,0,0,0,0|3,0,0]=4 4143 B12R0.114 CCNC(=O)C(C)SCCSCC 62a_100000757381_100000230173 [0,1,0,0,0,0|3,0,0]=4 4144 B12R0.114 CCNC(=O)N(C)CCCCCO 2708a_100015525214_100000722520 [0,1,0,0,0,0|3,0,0]=4 4145 B12R0.114 CCNC(=O)N(C)CCCCCO 273464a_100015525214_100000722520 [0,1,0,0,0,0|3,0,0]=4 4146 B12R0.114 CCOC(=O)C(=O)CSCCCF 62a_100000211299_100011934791 [0,1,0,0,0,0|2,0,1]=4 4147 B12R0.114 CCOC(=O)C(=O)CSCCCF 62a_100011934791_100000211299 [0,1,0,0,0,0|2,0,1]=4 4148 B12R0.114 CCOC(=O)C(=O)CSCCCO 62a_100000211299_100011215043 [0,1,0,0,0,0|2,0,1]=4 4149 B12R0.114 CCOC(=O)C(=O)CSCCCO 62a_100011215043_100000211299 [0,1,0,0,0,0|2,0,1]=4 4150 B12R0.114 CCOC(=O)C(=O)CSCCOC 62a_100000211299_100000233755 [0,1,0,0,0,0|2,0,1]=4 4151 B12R0.114 CCOC(=O)C(=O)CSCCOC 62a_100000233755_100000211299 [0,1,0,0,0,0|2,0,1]=4 4152 B12R0.114 CCOC(=O)C(=O)CSCCSC 62a_100000211299_100000751147 [0,1,0,0,0,0|2,0,1]=4 4153 B12R0.114 CCOC(=O)C(=O)CSCCSC 62a_100000212216_100000211299 [0,1,0,0,0,0|2,0,1]=4 4154 B12R0.114 CCOC(=O)C(=O)NCCCCO 240690a_100000750430_100014798877 [0,1,0,0,0,0|2,0,1]=4 4155 B12R0.114 CCOC(=O)C(=O)NCCCOC 1626a_100150723488_100014798877 [0,1,0,0,0,0|2,0,1]=4 4156 B12R0.114 CCOC(=O)C(=O)NCCCOC 240690a_100150723488_100014798877 [0,1,0,0,0,0|2,0,1]=4 4157 B12R0.114 CCOC(=O)C(=O)NCCCSC 11a_100000749238_100014798877 [0,1,0,0,0,0|2,0,1]=4 4158 B12R0.114 CCOC(=O)C(=O)NCCCSC 1626a_100000749238_100014798877 [0,1,0,0,0,0|2,0,1]=4 4159 B12R0.114 CCOC(=O)C(=O)NCCCSC 240690a_100000749238_100014798877 [0,1,0,0,0,0|2,0,1]=4 4160 B12R0.114 CCOC(=O)C(=O)NCCSCC 11a_100000106463_100014798877 [0,1,0,0,0,0|2,0,1]=4 4161 B12R0.114 CCOC(=O)C(=O)NCCSCC 1626a_100000106463_100014798877 [0,1,0,0,0,0|2,0,1]=4 4162 B12R0.114 CCOC(=O)C(=O)NCCSCC 240690a_100000106463_100014798877 [0,1,0,0,0,0|2,0,1]=4 4163 B12R0.114 CCOC(=O)C(C)NCCCCO 2230a_100000750430_100011215307 [0,1,0,0,0,0|2,0,0]=3 4164 B12R0.114 CCOC(=O)C(C)NCCCCO 34a_100000750430_100011216346 [0,1,0,0,0,0|2,0,0]=3 4165 B12R0.114 CCOC(=O)C(C)NCCCOC 34a_100150723488_100011216346 [0,1,0,0,0,0|2,0,0]=3 4166 B12R0.114 CCOC(=O)C(C)NCCCSC 2230a_100000749238_100011215307 [0,1,0,0,0,0|2,0,0]=3 4167 B12R0.114 CCOC(=O)C(C)NCCSCC 2230a_100000106463_100011215307 [0,1,0,0,0,0|2,0,0]=3 4168 B12R0.114 CCOC(=O)C(C)OCCCCBr 34a_100011216708_100011216346 [0,1,0,0,0,0|2,0,0]=3 4169 B12R0.114 CCOC(=O)C(C)OCCCCCl 34a_100000210776_100011216346 [0,1,0,0,0,0|2,0,0]=3 4170 B12R0.114 CCOC(=O)C(C)OCCCCCl 7a_100000210776_100011216346 [0,1,0,0,0,0|2,0,0]=3 4171 B12R0.114 CCOC(=O)C(C)OCCCCF 34a_100011995726_100011216346 [0,1,0,0,0,0|2,0,0]=3 4172 B12R0.114 CCOC(=O)C(C)OCCCCF 7a_100011995726_100011216346 [0,1,0,0,0,0|2,0,0]=3 4173 B12R0.114 CCOC(=O)C(C)OCCCCI 34a_200012148704_100011216346 [0,1,0,0,0,0|2,0,0]=3 4174 B12R0.114 CCOC(=O)C(C)OCCCCN 34a_100000750430_100011216346 [0,1,0,0,0,0|2,0,0]=3 4175 B12R0.114 CCOC(=O)C(C)OCCCNC 34a_100000213112_100011216346 [0,1,0,0,0,0|2,0,0]=3 4176 B12R0.114 CCOC(=O)C(C)OCCCOC 34a_100000740835_100011216346 [0,1,0,0,0,0|2,0,0]=3 4177 B12R0.114 CCOC(=O)C(C)OCCCSC 34a_100000690336_100011216346 [0,1,0,0,0,0|2,0,0]=3 4178 B12R0.114 CCOC(=O)C(C)OCCCSC 7a_100000690336_100011216346 [0,1,0,0,0,0|2,0,0]=3 4179 B12R0.114 CCOC(=O)C(C)OCCSCC 34a_100000212035_100011216346 [0,1,0,0,0,0|2,0,0]=3 4180 B12R0.114 CCOC(=O)C(C)OCCSCC 7a_100000212035_100011216346 [0,1,0,0,0,0|2,0,0]=3 4181 B12R0.114 CCOC(=O)C(C)SCCCC#N 62a_100000687738_100011216346 [0,1,0,0,0,0|2,0,1]=4 4182 B12R0.114 CCOC(=O)C(C)SCCCC#N 62a_100011216346_100000687738 [0,1,0,0,0,0|2,0,1]=4 4183 B12R0.114 CCOC(=O)C(C)SCCCC=O 62a_100011216346_200011292268 [0,1,0,0,0,0|2,0,1]=4 4184 B12R0.114 CCOC(=O)C(C)SCCCC=O 62a_200011292268_100011216346 [0,1,0,0,0,0|2,0,1]=4 4185 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100000729493_100011216346 [0,1,0,0,0,0|2,0,0]=3 4186 B12R0.114 CCOC(=O)C(C)SCCCCF 62a_100011216346_100000729493 [0,1,0,0,0,0|2,0,0]=3 4187 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100000210776_100011216346 [0,1,0,0,0,0|2,0,0]=3 4188 B12R0.114 CCOC(=O)C(C)SCCCCO 62a_100011216346_100000210776 [0,1,0,0,0,0|2,0,0]=3 4189 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100000709357_100011216346 [0,1,0,0,0,0|2,0,0]=3 4190 B12R0.114 CCOC(=O)C(C)SCCCOC 62a_100011216346_100000709357 [0,1,0,0,0,0|2,0,0]=3 4191 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100000757381_100011216346 [0,1,0,0,0,0|2,0,0]=3 4192 B12R0.114 CCOC(=O)C(C)SCCSCC 62a_100011216346_100000757381 [0,1,0,0,0,0|2,0,0]=3 4193 B12R0.114 CCOC(=O)C(F)NCCCCO 2230a_100000750430_100000760018 [0,1,0,0,0,0|2,0,0]=3 4194 B12R0.114 CCOC(=O)C(F)NCCCCO 34a_100000750430_100000760018 [0,1,0,0,0,0|2,0,0]=3 4195 B12R0.114 CCOC(=O)C(F)NCCCOC 34a_100150723488_100000760018 [0,1,0,0,0,0|2,0,0]=3 4196 B12R0.114 CCOC(=O)C(F)NCCCSC 2230a_100000749238_100000760018 [0,1,0,0,0,0|2,0,0]=3 4197 B12R0.114 CCOC(=O)C(F)NCCSCC 2230a_100000106463_100000760018 [0,1,0,0,0,0|2,0,0]=3 4198 B12R0.114 CCOC(=O)C(F)OCCCCBr 34a_100011216708_100000760018 [0,1,0,0,0,0|2,0,0]=3 4199 B12R0.114 CCOC(=O)C(F)OCCCCCl 34a_100000210776_100000760018 [0,1,0,0,0,0|2,0,0]=3 4200 B12R0.114 CCOC(=O)C(F)OCCCCCl 7a_100000210776_100000040065 [0,1,0,0,0,0|2,0,0]=3 4201 B12R0.114 CCOC(=O)C(F)OCCCCF 34a_100011995726_100000760018 [0,1,0,0,0,0|2,0,0]=3 4202 B12R0.114 CCOC(=O)C(F)OCCCCF 7a_100011995726_100000040065 [0,1,0,0,0,0|2,0,0]=3 4203 B12R0.114 CCOC(=O)C(F)OCCCCI 34a_200012148704_100000760018 [0,1,0,0,0,0|2,0,0]=3 4204 B12R0.114 CCOC(=O)C(F)OCCCCN 34a_100000750430_100000760018 [0,1,0,0,0,0|2,0,0]=3 4205 B12R0.114 CCOC(=O)C(F)OCCCNC 34a_100000213112_100000760018 [0,1,0,0,0,0|2,0,0]=3 4206 B12R0.114 CCOC(=O)C(F)OCCCOC 34a_100000740835_100000760018 [0,1,0,0,0,0|2,0,0]=3 4207 B12R0.114 CCOC(=O)C(F)OCCCSC 34a_100000690336_100000760018 [0,1,0,0,0,0|2,0,0]=3 4208 B12R0.114 CCOC(=O)C(F)OCCCSC 7a_100000690336_100000040065 [0,1,0,0,0,0|2,0,0]=3 4209 B12R0.114 CCOC(=O)C(F)OCCSCC 34a_100000212035_100000760018 [0,1,0,0,0,0|2,0,0]=3 4210 B12R0.114 CCOC(=O)C(F)OCCSCC 7a_100000212035_100000040065 [0,1,0,0,0,0|2,0,0]=3 4211 B12R0.114 CCOC(=O)C(F)SCCCC#N 62a_100000687738_100000760018 [0,1,0,0,0,0|2,0,1]=4 4212 B12R0.114 CCOC(=O)C(F)SCCCC#N 62a_100000760018_100000687738 [0,1,0,0,0,0|2,0,1]=4 4213 B12R0.114 CCOC(=O)C(F)SCCCC=O 62a_100000760018_200011292268 [0,1,0,0,0,0|2,0,1]=4 4214 B12R0.114 CCOC(=O)C(F)SCCCC=O 62a_200011292268_100000760018 [0,1,0,0,0,0|2,0,1]=4 4215 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000729493_100000760018 [0,1,0,0,0,0|2,0,0]=3 4216 B12R0.114 CCOC(=O)C(F)SCCCCF 62a_100000760018_100000729493 [0,1,0,0,0,0|2,0,0]=3 4217 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000210776_100000760018 [0,1,0,0,0,0|2,0,0]=3 4218 B12R0.114 CCOC(=O)C(F)SCCCCO 62a_100000760018_100000210776 [0,1,0,0,0,0|2,0,0]=3 4219 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000709357_100000760018 [0,1,0,0,0,0|2,0,0]=3 4220 B12R0.114 CCOC(=O)C(F)SCCCOC 62a_100000760018_100000709357 [0,1,0,0,0,0|2,0,0]=3 4221 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000757381_100000760018 [0,1,0,0,0,0|2,0,0]=3 4222 B12R0.114 CCOC(=O)C(F)SCCSCC 62a_100000760018_100000757381 [0,1,0,0,0,0|2,0,0]=3 4223 B12R0.114 CCOC(=O)[C@H](C)OCCCC#N 7a_100000751109_100000687738 [0,1,0,0,0,0|2,0,1]=4 4224 B12R0.114 CCOC(=O)[C@H](C)OCCCC=O 7a_100000751109_200011292268 [0,1,0,0,0,0|2,0,1]=4 4225 B12R0.114 CCOC(=O)[C@H](C)OCCCCF 7a_100000751109_100000729493 [0,1,0,0,0,0|2,0,0]=3 4226 B12R0.114 CCOC(=O)[C@H](C)OCCCCO 7a_100000751109_100000210776 [0,1,0,0,0,0|2,0,0]=3 4227 B12R0.114 CCOC(=O)[C@H](C)OCCCOC 7a_100000751109_100000740836 [0,1,0,0,0,0|2,0,0]=3 4228 B12R0.114 CCOC(=O)[C@H](C)OCCSCC 7a_100000751109_100000757381 [0,1,0,0,0,0|2,0,0]=3 4229 B12R0.114 CCOCCNC(=O)C(=O)OCC 11a_100011200944_100014798877 [0,1,0,0,0,0|2,0,1]=4 4230 B12R0.114 CCOCCNC(=O)C(=O)OCC 1626a_102516460346_100014798877 [0,1,0,0,0,0|2,0,1]=4 4231 B12R0.114 CCOCCNC(=O)C(=O)OCC 240690a_100011200944_100014798877 [0,1,0,0,0,0|2,0,1]=4 4232 B12R0.114 CCOCCNC(C)C(=O)OCC 2230a_102516460346_100011215307 [0,1,0,0,0,0|2,0,0]=3 4233 B12R0.114 CCOCCNC(C)C(=O)OCC 34a_102516460346_100011216346 [0,1,0,0,0,0|2,0,0]=3 4234 B12R0.114 CCOCCNC(F)C(=O)OCC 2230a_102516460346_100000760018 [0,1,0,0,0,0|2,0,0]=3 4235 B12R0.114 CCOCCNC(F)C(=O)OCC 34a_102516460346_100000760018 [0,1,0,0,0,0|2,0,0]=3 4236 B12R0.114 CCOCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011215890 [0,1,0,0,0,0|2,1,0]=4 4237 B12R0.114 CCOCCOC(C)C(=O)OCC 34a_100000210136_100011216346 [0,1,0,0,0,0|2,0,0]=3 4238 B12R0.114 CCOCCOC(C)C(=O)OCC 7a_100000210136_100011216346 [0,1,0,0,0,0|2,0,0]=3 4239 B12R0.114 CCOCCOC(F)C(=O)OCC 34a_100000210136_100000760018 [0,1,0,0,0,0|2,0,0]=3 4240 B12R0.114 CCOCCOC(F)C(=O)OCC 7a_100000210136_100000040065 [0,1,0,0,0,0|2,0,0]=3 4241 B12R0.114 CCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215890 [0,1,0,0,0,0|2,0,0]=3 4242 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100000210147_100011216346 [0,1,0,0,0,0|2,0,0]=3 4243 B12R0.114 CCOCCSC(C)C(=O)OCC 62a_100011216346_100011215890 [0,1,0,0,0,0|2,0,0]=3 4244 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000210147_100000760018 [0,1,0,0,0,0|2,0,0]=3 4245 B12R0.114 CCOCCSC(F)C(=O)OCC 62a_100000760018_100011215890 [0,1,0,0,0,0|2,0,0]=3 4246 B12R0.114 CCOCSCC(=O)C(=O)OCC 62a_100000211299_100000739092 [0,1,0,0,0,0|2,0,1]=4 4247 B12R0.114 CCOCSCC(=O)C(=O)OCC 62a_100000739092_100000211299 [0,1,0,0,0,0|2,0,1]=4 4248 B12R0.114 CCSC(=O)[C@H](C)NCCCCF 2230a_100103168634_100000729493 [0,1,0,0,0,0|2,1,0]=4 4249 B12R0.114 CCSC(=O)[C@H](C)NCCCCO 2230a_100103168634_100000210776 [0,1,0,0,0,0|2,1,0]=4 4250 B12R0.114 CCSC(=O)[C@H](C)NCCCOC 2230a_100103168634_100000740836 [0,1,0,0,0,0|2,1,0]=4 4251 B12R0.114 CCSCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000757381 [0,1,0,0,0,0|2,1,0]=4 4252 B12R0.121 C=CC(CCCCCCC)OCC 34a_200011934235_100000210202 [0,1,0,0,0,0|1,0,1]=3 4253 B12R0.121 C=CC(CCCCCCC)OCC 7a_200011934235_100000210202 [0,1,0,0,0,0|1,0,1]=3 4254 B12R0.121 C=CC(CCCCCCC)OCF 34a_200011934235_100015361967 [0,1,0,0,0,0|2,0,1]=4 4255 B12R0.121 C=CC(CCCCCCC)OCF 7a_200011934235_100015361967 [0,1,0,0,0,0|2,0,1]=4 4256 B12R0.121 CCCCCCCC(CC)NCC 270004a_100015525214_200011217162 [0,1,0,0,0,0|2,0,1]=4 4257 B12R0.121 CCCCCCCC(CC)OCC 34a_200011217053_100000210202 [0,1,0,0,0,0|1,0,1]=3 4258 B12R0.121 CCCCCCCC(CC)OCC 7a_200011217053_100000210202 [0,1,0,0,0,0|1,0,1]=3 4259 B12R0.121 CCCCCCCC(CC)OCF 34a_200011217053_100015361967 [0,1,0,0,0,0|2,0,1]=4 4260 B12R0.121 CCCCCCCC(CC)OCF 7a_200011217053_100015361967 [0,1,0,0,0,0|2,0,1]=4 4261 B12R0.121 CCCCCCCC(CCC)NC 270004a_106832991635_200011216337 [0,1,0,0,0,0|2,0,1]=4 4262 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000226822_100000210681 [0,1,0,0,0,0|3,0,0]=4 4263 B12R0.121 CCCCCCCN(CC)CCC 2230a_100000228213_100000210303 [0,1,0,0,0,0|3,0,0]=4 4264 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000226822_100000210681 [0,1,0,0,0,0|3,0,0]=4 4265 B12R0.121 CCCCCCCN(CC)CCC 269982a_100000228213_100000210303 [0,1,0,0,0,0|3,0,0]=4 4266 B12R0.121 CCCCCNCC(CC)OCC 2230a_100015183923_100000210326 [0,1,0,0,0,0|2,0,1]=4 4267 B12R0.121 CCCCCNCC(CC)OCC 34a_100015183923_100000718602 [0,1,0,0,0,0|2,0,1]=4 4268 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000211969_100000753159 [0,1,0,0,0,0|1,0,1]=3 4269 B12R0.206 C#CCCC(=O)CCCCCCC 1458a_100000692101_100000210614 [0,1,0,0,0,0|1,0,1]=3 4270 B12R0.206 C#CCCC(=O)CCCCCCF 1458a_100000692101_100015922095 [0,1,0,0,0,0|2,0,1]=4 4271 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100000692101_100000766143 [0,1,0,0,0,0|2,0,1]=4 4272 B12R0.206 C#CCCC(=O)CCCCCCO 1458a_100011996774_100000753159 [0,1,0,0,0,0|2,0,1]=4 4273 B12R0.206 C#CCCC(=O)CCCCCOC 1458a_100011935119_100000753159 [0,1,0,0,0,0|2,0,1]=4 4274 B12R0.206 C#CCCC(=O)CCOCCCC 1458a_100000692101_100000743108 [0,1,0,0,0,0|2,0,1]=4 4275 B12R0.206 C#CCCC(=O)CCOCCCC 34a_100011064465_100000210210 [0,1,0,0,0,0|2,0,1]=4 4276 B12R0.206 C#CCCC(=O)CCOCCCC 7a_100011064465_100000210211 [0,1,0,0,0,0|2,0,1]=4 4277 B12R0.206 C#CCCC(=O)NCCCCCC 11a_100000210581_100000692101 [0,1,0,0,0,0|2,0,1]=4 4278 B12R0.206 C#CCCC(=O)NCCCCCC 1626a_100000210581_100000692101 [0,1,0,0,0,0|2,0,1]=4 4279 B12R0.206 C#CCCC(=O)NCCCCCC 240690a_100000210581_100000692101 [0,1,0,0,0,0|2,0,1]=4 4280 B12R0.206 C#CCCC(=O)NCCCCCC 527a_100000210581_100000692101 [0,1,0,0,0,0|2,0,1]=4 4281 B12R0.206 C#CCCCCCC(=O)C#CCC 1458a_100011827653_100012094781 [0,1,0,0,0,0|1,0,2]=4 4282 B12R0.206 C#CCCCCCC(=O)C=CCC 1458a_100000212282_100012094781 [0,1,0,0,0,0|1,0,2]=4 4283 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,1,0,0,0,0|1,0,2]=4 4284 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,1,0,0,0,0|1,0,2]=4 4285 B12R0.206 C#CCCCCCC(=O)CCCF 1458a_100000694772_100011934791 [0,1,0,0,0,0|1,0,2]=4 4286 B12R0.206 C#CCCCCCC(=O)CCCO 1458a_100000694772_100011215043 [0,1,0,0,0,0|1,0,2]=4 4287 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000694772_100000233755 [0,1,0,0,0,0|1,0,2]=4 4288 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000749529_100012094781 [0,1,0,0,0,0|1,0,2]=4 4289 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000174002_100012094781 [0,1,0,0,0,0|1,0,2]=4 4290 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000694772_100000751147 [0,1,0,0,0,0|1,0,2]=4 4291 B12R0.206 C#CCCCCCC(=O)COCC 1458a_100000211967_100012094781 [0,1,0,0,0,0|0,0,2]=3 4292 B12R0.206 C#CCCCCCC(=O)CSCC 1458a_100000230394_100012094781 [0,1,0,0,0,0|0,1,2]=4 4293 B12R0.206 C#CCCCCCC(=O)NCCC 11a_100020643023_100000694772 [0,1,0,0,0,0|1,0,2]=4 4294 B12R0.206 C#CCCCCCC(=O)NCCC 1626a_100020643023_100000694772 [0,1,0,0,0,0|1,0,2]=4 4295 B12R0.206 C#CCCCCCC(=O)NCCC 240690a_100020643023_100000694772 [0,1,0,0,0,0|1,0,2]=4 4296 B12R0.206 C#CCCCCCC(=O)NCCC 527a_100020643023_100000694772 [0,1,0,0,0,0|1,0,2]=4 4297 B12R0.206 C#CCCCCCC(=O)NCCF 11a_100000724931_100000694772 [0,1,0,0,0,0|1,0,2]=4 4298 B12R0.206 C#CCCCCCC(=O)NCCF 1626a_100000724931_100000694772 [0,1,0,0,0,0|1,0,2]=4 4299 B12R0.206 C#CCCCCCC(=O)NCCF 240690a_100000724931_100000694772 [0,1,0,0,0,0|1,0,2]=4 4300 B12R0.206 C#CCCCCCC(=O)NCCF 527a_100000724931_100000694772 [0,1,0,0,0,0|1,0,2]=4 4301 B12R0.206 C#CCCCCCC(=O)NCCO 240690a_100000210304_100000694772 [0,1,0,0,0,0|1,0,2]=4 4302 B12R0.206 C#CCCCCCC(=O)NCCO 527a_100000210304_100000694772 [0,1,0,0,0,0|1,0,2]=4 4303 B12R0.206 C#CCCCCCC(=O)NNCC 22a_100000756455_100000694772 [0,1,0,0,0,0|1,0,2]=4 4304 B12R0.206 C#CCCCCNC(=O)COCC 11a_100000706060_100000211967 [0,1,0,0,0,0|1,0,2]=4 4305 B12R0.206 C#CCCCCNC(=O)COCC 1626a_100000706060_100000211967 [0,1,0,0,0,0|1,0,2]=4 4306 B12R0.206 C#CCCCCNC(=O)COCC 240690a_100000706060_100000211967 [0,1,0,0,0,0|1,0,2]=4 4307 B12R0.206 C#CCCCCNC(=O)COCC 527a_100000706060_100000211967 [0,1,0,0,0,0|1,0,2]=4 4308 B12R0.206 C#CCCCNCC(=O)OCCC 34a_100000718082_200011215008 [0,1,0,0,0,0|1,0,2]=4 4309 B12R0.206 C#CCCCOCC(=O)OCCC 34a_100000215630_200011215008 [0,1,0,0,0,0|1,0,2]=4 4310 B12R0.206 C#CCCCOCC(=O)OCCC 7a_100000215630_200011215008 [0,1,0,0,0,0|1,0,2]=4 4311 B12R0.206 C#CCCCSCC(=O)OCCC 62a_100011215417_200011215008 [0,1,0,0,0,0|1,0,2]=4 4312 B12R0.206 C#CCCCSCC(=O)OCCC 62a_200011215008_100011215417 [0,1,0,0,0,0|1,0,2]=4 4313 B12R0.206 C#CCNC(=O)CCCCCCC 11a_100000212058_100000211969 [0,1,0,0,0,0|1,0,1]=3 4314 B12R0.206 C#CCNC(=O)CCCCCCC 1626a_100000212058_100000211969 [0,1,0,0,0,0|1,0,1]=3 4315 B12R0.206 C#CCNC(=O)CCCCCCC 240690a_100000212058_100000211969 [0,1,0,0,0,0|1,0,1]=3 4316 B12R0.206 C#CCNC(=O)CCCCCCC 527a_100000212058_100000211969 [0,1,0,0,0,0|1,0,1]=3 4317 B12R0.206 C#CCNC(=O)CCCCCCO 240690a_100000212058_100011996774 [0,1,0,0,0,0|2,0,1]=4 4318 B12R0.206 C#CCNC(=O)CCCCCOC 11a_100000212058_100011935119 [0,1,0,0,0,0|2,0,1]=4 4319 B12R0.206 C#CCNC(=O)CCCCCOC 1626a_100000212058_100011935119 [0,1,0,0,0,0|2,0,1]=4 4320 B12R0.206 C#CCNC(=O)CCCCCOC 240690a_100000212058_100011935119 [0,1,0,0,0,0|2,0,1]=4 4321 B12R0.206 C#CCNC(=O)CCCCCOC 527a_100000212058_100011935119 [0,1,0,0,0,0|2,0,1]=4 4322 B12R0.206 C#CCNC(=O)CNCCCCC 2230a_100000747989_100000210326 [0,1,0,0,0,0|2,0,1]=4 4323 B12R0.206 C#CCNC(=O)CNCCCCC 34a_100000747989_100000718602 [0,1,0,0,0,0|2,0,1]=4 4324 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000210581_100000212058 [0,1,0,0,0,0|2,0,1]=4 4325 B12R0.206 C#CCNC(=O)NCCCCCC 2708a_100000212058_100000210581 [0,1,0,0,0,0|2,0,1]=4 4326 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000210581_100000212058 [0,1,0,0,0,0|2,0,1]=4 4327 B12R0.206 C#CCNC(=O)NCCCCCC 273464a_100000212058_100000210581 [0,1,0,0,0,0|2,0,1]=4 4328 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000210581_100000212058 [0,1,0,0,0,0|2,0,1]=4 4329 B12R0.206 C#CCNC(=O)NCCCCCC 512a_100000212058_100000210581 [0,1,0,0,0,0|2,0,1]=4 4330 B12R0.206 C#CCOC(C)CCCCCCC 34a_100000210247_200011218727 [0,1,0,0,0,0|1,0,2]=4 4331 B12R0.206 C#CCOC(C)CCCCCCC 34a_200011215852_100000184674 [0,1,0,0,0,0|1,0,2]=4 4332 B12R0.206 C#CCOC(C)CCCCCCC 7a_200011215852_100000038162 [0,1,0,0,0,0|1,0,2]=4 4333 B12R0.206 C/C=C/CC(=O)CCCCCCC 1458a_100000211969_100102629194 [0,1,0,0,0,0|1,0,1]=3 4334 B12R0.206 C/C=C/CC(=O)CCCCCCO 1458a_100011996774_100102629194 [0,1,0,0,0,0|2,0,1]=4 4335 B12R0.206 C/C=C/CC(=O)CCCCCOC 1458a_100011935119_100102629194 [0,1,0,0,0,0|2,0,1]=4 4336 B12R0.206 C/C=C/CCOCC(=O)OCCC 34a_100016278192_200011215008 [0,1,0,0,0,0|1,0,2]=4 4337 B12R0.206 C=C(CNCCCCO)OCOC 34a_100000750430_100000042856 [0,1,0,0,0,0|3,0,0]=4 4338 B12R0.206 C=C(CNCCCOC)OCOC 34a_100150723488_100000042856 [0,1,0,0,0,0|3,0,0]=4 4339 B12R0.206 C=C(CNCCOCC)OCOC 34a_102516460346_100000042856 [0,1,0,0,0,0|3,0,0]=4 4340 B12R0.206 C=C(COCCCCBr)OCOC 34a_100011216708_100000042856 [0,1,0,0,0,0|3,0,0]=4 4341 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,1,0,0,0,0|2,0,0]=3 4342 B12R0.206 C=C(COCCCCCl)OCOC 34a_100000210776_100000042856 [0,1,0,0,0,0|3,0,0]=4 4343 B12R0.206 C=C(COCCCCF)OCOC 34a_100011995726_100000042856 [0,1,0,0,0,0|3,0,0]=4 4344 B12R0.206 C=C(COCCCCI)OCOC 34a_200012148704_100000042856 [0,1,0,0,0,0|3,0,0]=4 4345 B12R0.206 C=C(COCCCCN)OCOC 34a_100000750430_100000042856 [0,1,0,0,0,0|3,0,0]=4 4346 B12R0.206 C=C(COCCCNC)OCOC 34a_100000213112_100000042856 [0,1,0,0,0,0|3,0,0]=4 4347 B12R0.206 C=C(COCCCOC)OCOC 34a_100000740835_100000042856 [0,1,0,0,0,0|3,0,0]=4 4348 B12R0.206 C=C(COCCCSC)OCOC 34a_100000690336_100000042856 [0,1,0,0,0,0|3,0,0]=4 4349 B12R0.206 C=C(COCCOCC)OCOC 34a_100000210136_100000042856 [0,1,0,0,0,0|3,0,0]=4 4350 B12R0.206 C=C(COCCSCC)OCOC 34a_100000212035_100000042856 [0,1,0,0,0,0|3,0,0]=4 4351 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000042856_100000210326 [0,1,0,0,0,0|2,0,0]=3 4352 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000210326_100000042856 [0,1,0,0,0,0|2,0,0]=3 4353 B12R0.206 C=C(CSCCCCF)OCOC 62a_100000042856_100000729493 [0,1,0,0,0,0|3,0,0]=4 4354 B12R0.206 C=C(CSCCCCF)OCOC 62a_100000729493_100000042856 [0,1,0,0,0,0|3,0,0]=4 4355 B12R0.206 C=C(CSCCCCO)OCOC 62a_100000042856_100000210776 [0,1,0,0,0,0|3,0,0]=4 4356 B12R0.206 C=C(CSCCCCO)OCOC 62a_100000210776_100000042856 [0,1,0,0,0,0|3,0,0]=4 4357 B12R0.206 C=C(CSCCCOC)OCOC 62a_100000042856_100000709357 [0,1,0,0,0,0|3,0,0]=4 4358 B12R0.206 C=C(CSCCCOC)OCOC 62a_100000709357_100000042856 [0,1,0,0,0,0|3,0,0]=4 4359 B12R0.206 C=C(CSCCOCC)OCOC 62a_100000042856_100011215890 [0,1,0,0,0,0|3,0,0]=4 4360 B12R0.206 C=C(CSCCOCC)OCOC 62a_100000210147_100000042856 [0,1,0,0,0,0|3,0,0]=4 4361 B12R0.206 C=C(CSCCSCC)OCOC 62a_100000042856_100000757381 [0,1,0,0,0,0|3,0,0]=4 4362 B12R0.206 C=C(CSCCSCC)OCOC 62a_100000757381_100000042856 [0,1,0,0,0,0|3,0,0]=4 4363 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,1,0,0,0,0|1,0,2]=4 4364 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,1,0,0,0,0|1,0,1]=3 4365 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,1,0,0,0,0|1,0,1]=3 4366 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,1,0,0,0,0|2,0,1]=4 4367 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,1,0,0,0,0|2,0,1]=4 4368 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,1,0,0,0,0|2,0,1]=4 4369 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,1,0,0,0,0|2,0,1]=4 4370 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,1,0,0,0,0|2,0,1]=4 4371 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 4372 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 4373 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 4374 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,1,0,0,0,0|2,0,1]=4 4375 B12R0.206 C=CCCCCCC(=O)C#CCC 1458a_100011827653_100000700193 [0,1,0,0,0,0|1,0,2]=4 4376 B12R0.206 C=CCCCCCC(=O)C=CCC 1458a_100000212282_100000700193 [0,1,0,0,0,0|1,0,2]=4 4377 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,1,0,0,0,0|1,0,2]=4 4378 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,1,0,0,0,0|1,0,2]=4 4379 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,1,0,0,0,0|1,0,2]=4 4380 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,1,0,0,0,0|1,0,2]=4 4381 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,1,0,0,0,0|1,0,2]=4 4382 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,1,0,0,0,0|1,0,2]=4 4383 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,1,0,0,0,0|1,0,2]=4 4384 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,1,0,0,0,0|1,0,2]=4 4385 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,1,0,0,0,0|0,0,2]=3 4386 B12R0.206 C=CCCCCCC(=O)CSCC 1458a_100000230394_100000700193 [0,1,0,0,0,0|0,1,2]=4 4387 B12R0.206 C=CCCCCCC(=O)NCCC 11a_100020643023_100011934241 [0,1,0,0,0,0|1,0,2]=4 4388 B12R0.206 C=CCCCCCC(=O)NCCC 1626a_100020643023_100011934241 [0,1,0,0,0,0|1,0,2]=4 4389 B12R0.206 C=CCCCCCC(=O)NCCC 240690a_100020643023_100011934241 [0,1,0,0,0,0|1,0,2]=4 4390 B12R0.206 C=CCCCCCC(=O)NCCC 527a_100020643023_100011934241 [0,1,0,0,0,0|1,0,2]=4 4391 B12R0.206 C=CCCCCCC(=O)NCCF 11a_100000724931_100011934241 [0,1,0,0,0,0|1,0,2]=4 4392 B12R0.206 C=CCCCCCC(=O)NCCF 1626a_100000724931_100011934241 [0,1,0,0,0,0|1,0,2]=4 4393 B12R0.206 C=CCCCCCC(=O)NCCF 240690a_100000724931_100011934241 [0,1,0,0,0,0|1,0,2]=4 4394 B12R0.206 C=CCCCCCC(=O)NCCF 527a_100000724931_100011934241 [0,1,0,0,0,0|1,0,2]=4 4395 B12R0.206 C=CCCCCCC(=O)NCCO 240690a_100000210304_100011934241 [0,1,0,0,0,0|1,0,2]=4 4396 B12R0.206 C=CCCCCCC(=O)NCCO 527a_100000210304_100011934241 [0,1,0,0,0,0|1,0,2]=4 4397 B12R0.206 C=CCCCCCC(=O)NNCC 22a_100000756455_100011934241 [0,1,0,0,0,0|1,0,2]=4 4398 B12R0.206 C=CCCCCNC(=O)COCC 11a_100000703577_100000211967 [0,1,0,0,0,0|1,0,2]=4 4399 B12R0.206 C=CCCCCNC(=O)COCC 1626a_100000703577_100000211967 [0,1,0,0,0,0|1,0,2]=4 4400 B12R0.206 C=CCCCCNC(=O)COCC 240690a_100000703577_100000211967 [0,1,0,0,0,0|1,0,2]=4 4401 B12R0.206 C=CCCCCNC(=O)COCC 527a_100000703577_100000211967 [0,1,0,0,0,0|1,0,2]=4 4402 B12R0.206 C=CCCCNCC(=O)OCCC 2230a_100000700776_200011215008 [0,1,0,0,0,0|1,0,2]=4 4403 B12R0.206 C=CCCCNCC(=O)OCCC 34a_100000700776_200011215008 [0,1,0,0,0,0|1,0,2]=4 4404 B12R0.206 C=CCCCOCC(=O)OCCC 34a_100000758997_200011215008 [0,1,0,0,0,0|1,0,2]=4 4405 B12R0.206 C=CCCCOCC(=O)OCCC 7a_100000758997_200011215008 [0,1,0,0,0,0|1,0,2]=4 4406 B12R0.206 C=CCCCSCC(=O)OCCC 62a_100011713584_200011215008 [0,1,0,0,0,0|1,0,2]=4 4407 B12R0.206 C=CCCCSCC(=O)OCCC 62a_200011215008_100000757094 [0,1,0,0,0,0|1,0,2]=4 4408 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,1,0,0,0,0|1,0,1]=3 4409 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,1,0,0,0,0|1,0,1]=3 4410 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,1,0,0,0,0|1,0,1]=3 4411 B12R0.206 C=CCNC(=O)CCCCCCO 240690a_100020586998_100011996774 [0,1,0,0,0,0|2,0,1]=4 4412 B12R0.206 C=CCNC(=O)CCCCCOC 1626a_100020586998_100011935119 [0,1,0,0,0,0|2,0,1]=4 4413 B12R0.206 C=CCNC(=O)CCCCCOC 240690a_100020586998_100011935119 [0,1,0,0,0,0|2,0,1]=4 4414 B12R0.206 C=CCNC(=O)CCCCCOC 527a_100020586998_100011935119 [0,1,0,0,0,0|2,0,1]=4 4415 B12R0.206 C=CCNC(=O)CCNCCCC 2230a_100000102301_100011222895 [0,1,0,0,0,0|2,0,1]=4 4416 B12R0.206 C=CCNC(=O)CCNCCCC 7a_106832991798_100011222895 [0,1,0,0,0,0|2,0,1]=4 4417 B12R0.206 C=CCNC(=O)CCOCCCC 7a_100000210227_100011222895 [0,1,0,0,0,0|2,0,1]=4 4418 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100000210211_100011222895 [0,1,0,0,0,0|2,0,1]=4 4419 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100011222895_100000210210 [0,1,0,0,0,0|2,0,1]=4 4420 B12R0.206 C=CCNC(=O)CNCCCCC 2230a_100000209983_100000183597 [0,1,0,0,0,0|2,0,1]=4 4421 B12R0.206 C=CCNC(=O)COCCCCC 7a_100000210253_100000183597 [0,1,0,0,0,0|2,0,1]=4 4422 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000183597_100000210326 [0,1,0,0,0,0|2,0,1]=4 4423 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000210326_100000183597 [0,1,0,0,0,0|2,0,1]=4 4424 B12R0.206 C=CCNC(=O)NCCCCCC 2708a_100000210581_100020586998 [0,1,0,0,0,0|2,0,1]=4 4425 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100000210581_100020586998 [0,1,0,0,0,0|2,0,1]=4 4426 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100020586998_100000210581 [0,1,0,0,0,0|2,0,1]=4 4427 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100000210581_100020586998 [0,1,0,0,0,0|2,0,1]=4 4428 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100020586998_100000210581 [0,1,0,0,0,0|2,0,1]=4 4429 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,1,0,0,0,0|1,0,1]=3 4430 B12R0.206 C=CCOC(=O)CNCCCCO 2230a_100000750430_100000033060 [0,1,0,0,0,0|2,0,1]=4 4431 B12R0.206 C=CCOC(=O)CNCCCCO 34a_100000750430_100000033060 [0,1,0,0,0,0|2,0,1]=4 4432 B12R0.206 C=CCOC(=O)CNCCCOC 34a_100150723488_100000033060 [0,1,0,0,0,0|2,0,1]=4 4433 B12R0.206 C=CCOC(=O)CNCCCSC 2230a_100000749238_100000033060 [0,1,0,0,0,0|2,0,1]=4 4434 B12R0.206 C=CCOC(=O)CNCCOCC 2230a_102516460346_100000033060 [0,1,0,0,0,0|2,0,1]=4 4435 B12R0.206 C=CCOC(=O)CNCCOCC 34a_102516460346_100000033060 [0,1,0,0,0,0|2,0,1]=4 4436 B12R0.206 C=CCOC(=O)CNCCSCC 2230a_100000106463_100000033060 [0,1,0,0,0,0|2,0,1]=4 4437 B12R0.206 C=CCOC(=O)COCCCCBr 34a_100011216708_100000033060 [0,1,0,0,0,0|2,0,1]=4 4438 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,1,0,0,0,0|1,0,1]=3 4439 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,1,0,0,0,0|1,0,1]=3 4440 B12R0.206 C=CCOC(=O)COCCCCCl 34a_100000210776_100000033060 [0,1,0,0,0,0|2,0,1]=4 4441 B12R0.206 C=CCOC(=O)COCCCCCl 7a_100000210776_100000033060 [0,1,0,0,0,0|2,0,1]=4 4442 B12R0.206 C=CCOC(=O)COCCCCF 34a_100011995726_100000033060 [0,1,0,0,0,0|2,0,1]=4 4443 B12R0.206 C=CCOC(=O)COCCCCF 7a_100011995726_100000033060 [0,1,0,0,0,0|2,0,1]=4 4444 B12R0.206 C=CCOC(=O)COCCCCI 34a_200012148704_100000033060 [0,1,0,0,0,0|2,0,1]=4 4445 B12R0.206 C=CCOC(=O)COCCCCN 34a_100000750430_100000033060 [0,1,0,0,0,0|2,0,1]=4 4446 B12R0.206 C=CCOC(=O)COCCCNC 34a_100000213112_100000033060 [0,1,0,0,0,0|2,0,1]=4 4447 B12R0.206 C=CCOC(=O)COCCCOC 34a_100000740835_100000033060 [0,1,0,0,0,0|2,0,1]=4 4448 B12R0.206 C=CCOC(=O)COCCCSC 34a_100000690336_100000033060 [0,1,0,0,0,0|2,0,1]=4 4449 B12R0.206 C=CCOC(=O)COCCCSC 7a_100000690336_100000033060 [0,1,0,0,0,0|2,0,1]=4 4450 B12R0.206 C=CCOC(=O)COCCOCC 34a_100000210136_100000033060 [0,1,0,0,0,0|2,0,1]=4 4451 B12R0.206 C=CCOC(=O)COCCOCC 7a_100000210136_100000033060 [0,1,0,0,0,0|2,0,1]=4 4452 B12R0.206 C=CCOC(=O)COCCSCC 34a_100000212035_100000033060 [0,1,0,0,0,0|2,0,1]=4 4453 B12R0.206 C=CCOC(=O)COCCSCC 7a_100000212035_100000033060 [0,1,0,0,0,0|2,0,1]=4 4454 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,1,0,0,0,0|1,0,1]=3 4455 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,1,0,0,0,0|1,0,1]=3 4456 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000033060_100000729493 [0,1,0,0,0,0|2,0,1]=4 4457 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000729493_100000033060 [0,1,0,0,0,0|2,0,1]=4 4458 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000033060_100000210776 [0,1,0,0,0,0|2,0,1]=4 4459 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000210776_100000033060 [0,1,0,0,0,0|2,0,1]=4 4460 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000033060_100000709357 [0,1,0,0,0,0|2,0,1]=4 4461 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000709357_100000033060 [0,1,0,0,0,0|2,0,1]=4 4462 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000033060_100011215890 [0,1,0,0,0,0|2,0,1]=4 4463 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000210147_100000033060 [0,1,0,0,0,0|2,0,1]=4 4464 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000033060_100000757381 [0,1,0,0,0,0|2,0,1]=4 4465 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000757381_100000033060 [0,1,0,0,0,0|2,0,1]=4 4466 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,1,0,0,0,0|1,0,2]=4 4467 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,1,0,0,0,0|1,0,2]=4 4468 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,1,0,0,0,0|1,0,2]=4 4469 B12R0.206 CC#CCC(=O)CCCCCCC 1458a_100000211969_100000748600 [0,1,0,0,0,0|1,0,1]=3 4470 B12R0.206 CC#CCC(=O)CCCCCCO 1458a_100011996774_100000748600 [0,1,0,0,0,0|2,0,1]=4 4471 B12R0.206 CC#CCC(=O)CCCCCOC 1458a_100011935119_100000748600 [0,1,0,0,0,0|2,0,1]=4 4472 B12R0.206 CC#CCCOCC(=O)OCCC 34a_100000750427_200011215008 [0,1,0,0,0,0|1,0,2]=4 4473 B12R0.206 CC/C=C\COCC(=O)OCCC 34a_100016268518_200011215008 [0,1,0,0,0,0|1,0,2]=4 4474 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_100103147603_200011215008 [0,1,0,0,0,0|1,0,2]=4 4475 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_200011215008_100103147603 [0,1,0,0,0,0|1,0,2]=4 4476 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100000211969_100000070051 [0,1,0,0,0,0|1,0,1]=3 4477 B12R0.206 CC=CCC(=O)CCCCCCC 1458a_100121576822_100000210614 [0,1,0,0,0,0|1,0,1]=3 4478 B12R0.206 CC=CCC(=O)CCCCCCF 1458a_100121576822_100015922095 [0,1,0,0,0,0|2,0,1]=4 4479 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100011996774_100000070051 [0,1,0,0,0,0|2,0,1]=4 4480 B12R0.206 CC=CCC(=O)CCCCCCO 1458a_100121576822_100000766143 [0,1,0,0,0,0|2,0,1]=4 4481 B12R0.206 CC=CCC(=O)CCCCCOC 1458a_100011935119_100000070051 [0,1,0,0,0,0|2,0,1]=4 4482 B12R0.206 CC=CCC(=O)CCOCCCC 1458a_100121576822_100000743108 [0,1,0,0,0,0|2,0,1]=4 4483 B12R0.206 CC=CCC(=O)NCCCCCC 11a_100000210581_100121576822 [0,1,0,0,0,0|2,0,1]=4 4484 B12R0.206 CC=CCC(=O)NCCCCCC 1626a_100000210581_100121576822 [0,1,0,0,0,0|2,0,1]=4 4485 B12R0.206 CC=CCC(=O)NCCCCCC 240690a_100000210581_100121576822 [0,1,0,0,0,0|2,0,1]=4 4486 B12R0.206 CC=CCC(=O)NCCCCCC 527a_100000210581_100121576822 [0,1,0,0,0,0|2,0,1]=4 4487 B12R0.206 CC=NNC(=O)CCCCCCC 4a_100000181853_200000210099 [0,1,0,0,0,0|1,0,1]=3 4488 B12R0.206 CCC#CC(=O)CCCCCC#N 1458a_100011827653_100009813376 [0,1,0,0,0,0|2,0,1]=4 4489 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,1,0,0,0,0|1,0,0]=2 4490 B12R0.206 CCC#CC(=O)CCCCCCF 1458a_100011827653_100015922095 [0,1,0,0,0,0|2,0,0]=3 4491 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [0,1,0,0,0,0|2,0,0]=3 4492 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [0,1,0,0,0,0|2,0,0]=3 4493 B12R0.206 CCC#CC(=O)CCOCCOC 1458a_100011827653_100000695917 [0,1,0,0,0,0|3,0,0]=4 4494 B12R0.206 CCC#CC(=O)NNCCCCC 22a_100000694160_100011827653 [0,1,0,0,0,0|3,0,0]=4 4495 B12R0.206 CCC#CCOCC(=O)OCCC 34a_100000032950_200011215008 [0,1,0,0,0,0|1,0,2]=4 4496 B12R0.206 CCC#CCSCC(=O)OCCC 62a_100009813939_200011215008 [0,1,0,0,0,0|1,0,2]=4 4497 B12R0.206 CCC#CCSCC(=O)OCCC 62a_200011215008_100009813939 [0,1,0,0,0,0|1,0,2]=4 4498 B12R0.206 CCC=CC(=O)CCCCCC#N 1458a_100000212282_100009813376 [0,1,0,0,0,0|2,0,1]=4 4499 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,1,0,0,0,0|1,0,0]=2 4500 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [0,1,0,0,0,0|2,0,0]=3 4501 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,1,0,0,0,0|2,0,0]=3 4502 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,1,0,0,0,0|2,0,0]=3 4503 B12R0.206 CCC=CC(=O)CCOCCOC 1458a_100000212282_100000695917 [0,1,0,0,0,0|3,0,0]=4 4504 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,1,0,0,0,0|2,0,0]=3 4505 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,1,0,0,0,0|2,0,0]=3 4506 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,1,0,0,0,0|2,0,0]=3 4507 B12R0.206 CCC=CC(=O)NCCCCCO 240690a_100000762737_100000212282 [0,1,0,0,0,0|3,0,0]=4 4508 B12R0.206 CCC=CC(=O)NCCCOCC 11a_100000210961_100000212282 [0,1,0,0,0,0|3,0,0]=4 4509 B12R0.206 CCC=CC(=O)NCCCOCC 1626a_100000210961_100000212282 [0,1,0,0,0,0|3,0,0]=4 4510 B12R0.206 CCC=CC(=O)NCCCOCC 240690a_100000210961_100000212282 [0,1,0,0,0,0|3,0,0]=4 4511 B12R0.206 CCC=CC(=O)NCCOCCC 1626a_100161115042_100000212282 [0,1,0,0,0,0|3,0,0]=4 4512 B12R0.206 CCC=CC(=O)NCCOCCC 240690a_100161115042_100000212282 [0,1,0,0,0,0|3,0,0]=4 4513 B12R0.206 CCC=CC(=O)NCCSCCC 11a_100020603323_100000212282 [0,1,0,0,0,0|3,0,0]=4 4514 B12R0.206 CCC=CC(=O)NCCSCCC 240690a_100020603323_100000212282 [0,1,0,0,0,0|3,0,0]=4 4515 B12R0.206 CCC=CC(=O)NNCCCCC 22a_100000694160_100000212282 [0,1,0,0,0,0|3,0,0]=4 4516 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [0,1,0,0,0,0|1,0,2]=4 4517 B12R0.206 CCCC/C=C/CC(=O)CCCF 1458a_200016282684_100011934791 [0,1,0,0,0,0|1,0,2]=4 4518 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [0,1,0,0,0,0|1,0,2]=4 4519 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,1,0,0,0,0|1,0,2]=4 4520 B12R0.206 CCCC/C=C/CC(=O)CCSC 1458a_200016282684_100000751147 [0,1,0,0,0,0|1,0,2]=4 4521 B12R0.206 CCCC/C=C/CC(=O)NCCC 11a_100020643023_200016282684 [0,1,0,0,0,0|1,0,2]=4 4522 B12R0.206 CCCC/C=C/CC(=O)NCCC 1626a_100020643023_200016282684 [0,1,0,0,0,0|1,0,2]=4 4523 B12R0.206 CCCC/C=C/CC(=O)NCCC 240690a_100020643023_200016282684 [0,1,0,0,0,0|1,0,2]=4 4524 B12R0.206 CCCC/C=C/CC(=O)NCCC 527a_100020643023_200016282684 [0,1,0,0,0,0|1,0,2]=4 4525 B12R0.206 CCCC/C=C/CC(=O)NCCF 11a_100000724931_200016282684 [0,1,0,0,0,0|1,0,2]=4 4526 B12R0.206 CCCC/C=C/CC(=O)NCCF 1626a_100000724931_200016282684 [0,1,0,0,0,0|1,0,2]=4 4527 B12R0.206 CCCC/C=C/CC(=O)NCCF 240690a_100000724931_200016282684 [0,1,0,0,0,0|1,0,2]=4 4528 B12R0.206 CCCC/C=C/CC(=O)NCCF 527a_100000724931_200016282684 [0,1,0,0,0,0|1,0,2]=4 4529 B12R0.206 CCCC/C=C/CC(=O)NCCO 240690a_100000210304_200016282684 [0,1,0,0,0,0|1,0,2]=4 4530 B12R0.206 CCCC/C=C/CC(=O)NCCO 527a_100000210304_200016282684 [0,1,0,0,0,0|1,0,2]=4 4531 B12R0.206 CCCC/C=C/CC(=O)NNCC 22a_100000756455_200016282684 [0,1,0,0,0,0|1,0,2]=4 4532 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,1,0,0,0,0|2,0,1]=4 4533 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,1,0,0,0,0|2,0,0]=3 4534 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,1,0,0,0,0|2,0,0]=3 4535 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,1,0,0,0,0|2,0,0]=3 4536 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,1,0,0,0,0|2,0,0]=3 4537 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000210183_100000695917 [0,1,0,0,0,0|3,0,0]=4 4538 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000745395_100000210211 [0,1,0,0,0,0|3,0,0]=4 4539 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,1,0,0,0,0|3,0,0]=4 4540 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,1,0,0,0,0|3,0,0]=4 4541 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,1,0,0,0,0|3,0,0]=4 4542 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,1,0,0,0,0|3,0,0]=4 4543 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,1,0,0,0,0|3,0,0]=4 4544 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,1,0,0,0,0|3,0,0]=4 4545 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,1,0,0,0,0|3,0,0]=4 4546 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,1,0,0,0,0|3,0,0]=4 4547 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,1,0,0,0,0|3,0,0]=4 4548 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,1,0,0,0,0|3,0,0]=4 4549 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,1,0,0,0,0|3,0,0]=4 4550 B12R0.206 CCCCC=NNC(=O)COCC 4a_100000216846_100000210104 [0,1,0,0,0,0|2,0,1]=4 4551 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,1,0,0,0,0|1,0,2]=4 4552 B12R0.206 CCCCCC#CC(=O)CCCF 1458a_100011215388_100011934791 [0,1,0,0,0,0|1,0,2]=4 4553 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,1,0,0,0,0|1,0,2]=4 4554 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,1,0,0,0,0|1,0,2]=4 4555 B12R0.206 CCCCCC#CC(=O)CCSC 1458a_100011215388_100000751147 [0,1,0,0,0,0|1,0,2]=4 4556 B12R0.206 CCCCCC#CC(=O)NCCC 240690a_100020643023_100011215388 [0,1,0,0,0,0|1,0,2]=4 4557 B12R0.206 CCCCCC#CC(=O)NCCF 240690a_100000724931_100011215388 [0,1,0,0,0,0|1,0,2]=4 4558 B12R0.206 CCCCCC#CC(=O)NCCO 240690a_100000210304_100011215388 [0,1,0,0,0,0|1,0,2]=4 4559 B12R0.206 CCCCCC#CC(=O)NNCC 22a_100000756455_100011215388 [0,1,0,0,0,0|1,0,2]=4 4560 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,1,0,0,0,0|1,0,2]=4 4561 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,1,0,0,0,0|1,0,2]=4 4562 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,1,0,0,0,0|1,0,2]=4 4563 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,1,0,0,0,0|1,0,2]=4 4564 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,1,0,0,0,0|1,0,2]=4 4565 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,1,0,0,0,0|1,0,2]=4 4566 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,1,0,0,0,0|1,0,2]=4 4567 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,1,0,0,0,0|1,0,2]=4 4568 B12R0.206 CCCCCC=CC(=O)NCCF 11a_100000724931_100016263427 [0,1,0,0,0,0|1,0,2]=4 4569 B12R0.206 CCCCCC=CC(=O)NCCF 1626a_100000724931_100016263427 [0,1,0,0,0,0|1,0,2]=4 4570 B12R0.206 CCCCCC=CC(=O)NCCF 240690a_100000724931_100016263427 [0,1,0,0,0,0|1,0,2]=4 4571 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,1,0,0,0,0|1,0,2]=4 4572 B12R0.206 CCCCCC=CC(=O)NNCC 22a_100000756455_100016263427 [0,1,0,0,0,0|1,0,2]=4 4573 B12R0.206 CCCCCCCC(=NNCC)C 4a_100000756455_100000210596 [0,1,0,0,0,0|2,0,0]=3 4574 B12R0.206 CCCCCCCC(=O)C#CCO 1458a_100000049017_100000210614 [0,1,0,0,0,0|1,0,1]=3 4575 B12R0.206 CCCCCCCC(=O)C=COC 1458a_100016268678_100000210614 [0,1,0,0,0,0|1,0,1]=3 4576 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100000211969_100011215226 [0,1,0,0,0,0|1,0,1]=3 4577 B12R0.206 CCCCCCCC(=O)CCC#N 1458a_100011934036_100000210614 [0,1,0,0,0,0|1,0,1]=3 4578 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,1,0,0,0,0|1,0,0]=2 4579 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,1,0,0,0,0|1,0,0]=2 4580 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,1,0,0,0,0|1,0,0]=2 4581 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,1,0,0,0,0|1,0,0]=2 4582 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,1,0,0,0,0|1,0,0]=2 4583 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,1,0,0,0,0|1,0,0]=2 4584 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,1,0,0,0,0|1,0,0]=2 4585 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,1,0,0,0,0|1,0,0]=2 4586 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,1,0,0,0,0|0,0,0]=1 4587 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,1,0,0,0,0|0,1,0]=2 4588 B12R0.206 CCCCCCCC(=O)NCC#N 1626a_100000734998_100000211969 [0,1,0,0,0,0|1,0,1]=3 4589 B12R0.206 CCCCCCCC(=O)NCC#N 527a_100000734998_100000211969 [0,1,0,0,0,0|1,0,1]=3 4590 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,1,0,0,0,0|1,0,0]=2 4591 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,1,0,0,0,0|1,0,0]=2 4592 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,1,0,0,0,0|1,0,0]=2 4593 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,1,0,0,0,0|1,0,0]=2 4594 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,1,0,0,0,0|1,0,0]=2 4595 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,1,0,0,0,0|1,0,0]=2 4596 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,1,0,0,0,0|1,0,0]=2 4597 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,1,0,0,0,0|1,0,0]=2 4598 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,1,0,0,0,0|1,0,0]=2 4599 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,1,0,0,0,0|1,0,0]=2 4600 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,1,0,0,0,0|1,0,0]=2 4601 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,1,0,0,0,0|0,0,0]=1 4602 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,1,0,0,0,0|0,0,0]=1 4603 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,1,0,0,0,0|0,0,0]=1 4604 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,1,0,0,0,0|0,0,0]=1 4605 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,1,0,0,0,0|0,0,0]=1 4606 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,1,0,0,0,0|0,0,0]=1 4607 B12R0.206 CCCCCCCC(C)NCCC 270004a_100020643023_100000210596 [0,1,0,0,0,0|2,0,1]=4 4608 B12R0.206 CCCCCCCC(C)NCCF 34a_100000724931_200011218727 [0,1,0,0,0,0|2,0,1]=4 4609 B12R0.206 CCCCCCCC(C)NCCO 2230a_100016997473_200011218727 [0,1,0,0,0,0|2,0,1]=4 4610 B12R0.206 CCCCCCCC(C)NCCO 270004a_100000210304_100000210596 [0,1,0,0,0,0|2,0,1]=4 4611 B12R0.206 CCCCCCCC(C)NCCO 34a_100016990907_200011218727 [0,1,0,0,0,0|2,0,1]=4 4612 B12R0.206 CCCCCCCC(C)OCC#N 7a_200011215852_100011215382 [0,1,0,0,0,0|1,0,2]=4 4613 B12R0.206 CCCCCCCC(C)OCC=O 34a_200011215852_200009817547 [0,1,0,0,0,0|1,0,2]=4 4614 B12R0.206 CCCCCCCC(C)OCC=O 7a_200011215852_200015260668 [0,1,0,0,0,0|1,0,2]=4 4615 B12R0.206 CCCCCCCC(C)OCCBr 34a_100000211926_200011218727 [0,1,0,0,0,0|1,0,1]=3 4616 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,1,0,0,0,0|1,0,1]=3 4617 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,1,0,0,0,0|1,0,1]=3 4618 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,1,0,0,0,0|1,0,1]=3 4619 B12R0.206 CCCCCCCC(C)OCCF 34a_200011215852_100011217306 [0,1,0,0,0,0|1,0,1]=3 4620 B12R0.206 CCCCCCCC(C)OCCF 7a_200011215852_100011217306 [0,1,0,0,0,0|1,0,1]=3 4621 B12R0.206 CCCCCCCC(C)OCCN 34a_100000210304_200011218727 [0,1,0,0,0,0|1,0,1]=3 4622 B12R0.206 CCCCCCCC(C)OCCO 34a_200011215852_100000211926 [0,1,0,0,0,0|1,0,1]=3 4623 B12R0.206 CCCCCCCC(C)OCCO 7a_200011215852_100000211926 [0,1,0,0,0,0|1,0,1]=3 4624 B12R0.206 CCCCCCCC(C)OCSC 34a_200011215852_100011218213 [0,1,0,0,0,0|1,0,1]=3 4625 B12R0.206 CCCCCCCC(C)SCCC 62a_100000210303_200011218727 [0,1,0,0,0,0|1,1,1]=4 4626 B12R0.206 CCCCCCCC(C)SCCC 62a_200011218727_100000210303 [0,1,0,0,0,0|1,1,1]=4 4627 B12R0.206 CCCCCCCC(C)SCCF 62a_100011217306_200011218727 [0,1,0,0,0,0|1,1,1]=4 4628 B12R0.206 CCCCCCCC(C)SCCF 62a_200011218727_100011217306 [0,1,0,0,0,0|1,1,1]=4 4629 B12R0.206 CCCCCCCC(C)SCCO 62a_100000211926_200011218727 [0,1,0,0,0,0|1,1,1]=4 4630 B12R0.206 CCCCCCCC(C)SCCO 62a_200011218727_100000211926 [0,1,0,0,0,0|1,1,1]=4 4631 B12R0.206 CCCCCCCC(C)SCOC 62a_100000766300_200011218727 [0,1,0,0,0,0|1,1,1]=4 4632 B12R0.206 CCCCCCCC(C)SCOC 62a_200011218727_100000766300 [0,1,0,0,0,0|1,1,1]=4 4633 B12R0.206 CCCCCCCC(C)SCSC 62a_100011218213_200011218727 [0,1,0,0,0,0|1,1,1]=4 4634 B12R0.206 CCCCCCCC(C)SCSC 62a_200011218727_100011218213 [0,1,0,0,0,0|1,1,1]=4 4635 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000207549_100000210681 [0,1,0,0,0,0|3,0,0]=4 4636 B12R0.206 CCCCCCCN(C)CCCC 2230a_100000228206_100000210211 [0,1,0,0,0,0|3,0,0]=4 4637 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000207549_100000210681 [0,1,0,0,0,0|3,0,0]=4 4638 B12R0.206 CCCCCCCN(C)CCCC 269982a_100000228206_100000210211 [0,1,0,0,0,0|3,0,0]=4 4639 B12R0.206 CCCCCCCN(C)CCCF 2230a_100000228206_100011934791 [0,1,0,0,0,0|3,0,0]=4 4640 B12R0.206 CCCCCCCN(C)CCCF 269982a_100000228206_100011934791 [0,1,0,0,0,0|3,0,0]=4 4641 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000213112_100000210681 [0,1,0,0,0,0|3,0,0]=4 4642 B12R0.206 CCCCCCCN(C)CCCO 2230a_100000228206_100000230001 [0,1,0,0,0,0|3,0,0]=4 4643 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000213112_100000210681 [0,1,0,0,0,0|3,0,0]=4 4644 B12R0.206 CCCCCCCN(C)CCCO 269982a_100000228206_100011215043 [0,1,0,0,0,0|3,0,0]=4 4645 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000228206_100011201679 [0,1,0,0,0,0|3,0,0]=4 4646 B12R0.206 CCCCCCCN(C)CCOC 2230a_100000743101_100000210681 [0,1,0,0,0,0|3,0,0]=4 4647 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000228206_100000233755 [0,1,0,0,0,0|3,0,0]=4 4648 B12R0.206 CCCCCCCN(C)CCOC 269982a_100000743101_100000210681 [0,1,0,0,0,0|3,0,0]=4 4649 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000228206_100000751147 [0,1,0,0,0,0|3,0,0]=4 4650 B12R0.206 CCCCCCCN(C)CCSC 2230a_100000686725_100000210681 [0,1,0,0,0,0|3,0,0]=4 4651 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000228206_100000212216 [0,1,0,0,0,0|3,0,0]=4 4652 B12R0.206 CCCCCCCN(C)CCSC 269982a_100000686725_100000210681 [0,1,0,0,0,0|3,0,0]=4 4653 B12R0.206 CCCCCCCN(C)COCC 269982a_100000228206_100000739092 [0,1,0,0,0,0|2,0,0]=3 4654 B12R0.206 CCCCCCNC(=O)C=COC 1626a_100000210581_100016268678 [0,1,0,0,0,0|2,0,1]=4 4655 B12R0.206 CCCCCCNC(=O)C=COC 240690a_100000210581_100016268678 [0,1,0,0,0,0|2,0,1]=4 4656 B12R0.206 CCCCCCNC(=O)CCC#N 11a_100000210581_100011934036 [0,1,0,0,0,0|2,0,1]=4 4657 B12R0.206 CCCCCCNC(=O)CCC#N 1626a_100000210581_100011934036 [0,1,0,0,0,0|2,0,1]=4 4658 B12R0.206 CCCCCCNC(=O)CCC#N 240690a_100000210581_100011934036 [0,1,0,0,0,0|2,0,1]=4 4659 B12R0.206 CCCCCCNC(=O)CCC#N 527a_100000210581_100011934036 [0,1,0,0,0,0|2,0,1]=4 4660 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,1,0,0,0,0|2,0,0]=3 4661 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,1,0,0,0,0|2,0,0]=3 4662 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,1,0,0,0,0|2,0,0]=3 4663 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,1,0,0,0,0|2,0,0]=3 4664 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,1,0,0,0,0|2,0,0]=3 4665 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,1,0,0,0,0|2,0,0]=3 4666 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,1,0,0,0,0|2,0,0]=3 4667 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,1,0,0,0,0|2,0,0]=3 4668 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,1,0,0,0,0|2,0,0]=3 4669 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,1,0,0,0,0|2,0,0]=3 4670 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,1,0,0,0,0|2,0,0]=3 4671 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,1,0,0,0,0|2,0,0]=3 4672 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,1,0,0,0,0|2,0,0]=3 4673 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,1,0,0,0,0|1,0,0]=2 4674 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,1,0,0,0,0|1,0,0]=2 4675 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,1,0,0,0,0|1,0,0]=2 4676 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,1,0,0,0,0|1,0,0]=2 4677 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,1,0,0,0,0|1,0,0]=2 4678 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,1,0,0,0,0|1,1,0]=3 4679 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,1,0,0,0,0|1,1,0]=3 4680 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,1,0,0,0,0|1,1,0]=3 4681 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,1,0,0,0,0|1,1,0]=3 4682 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,1,0,0,0,0|1,1,0]=3 4683 B12R0.206 CCCCCCNC(=O)CSCF 62a_100000230325_100015361967 [0,1,0,0,0,0|2,1,0]=4 4684 B12R0.206 CCCCCCNC(=O)NCC#N 2708a_100000734998_100000210581 [0,1,0,0,0,0|2,0,1]=4 4685 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000210581_100000734998 [0,1,0,0,0,0|2,0,1]=4 4686 B12R0.206 CCCCCCNC(=O)NCC#N 273464a_100000734998_100000210581 [0,1,0,0,0,0|2,0,1]=4 4687 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000210581_100000734998 [0,1,0,0,0,0|2,0,1]=4 4688 B12R0.206 CCCCCCNC(=O)NCC#N 512a_100000734998_100000210581 [0,1,0,0,0,0|2,0,1]=4 4689 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,1,0,0,0,0|2,0,0]=3 4690 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,1,0,0,0,0|2,0,0]=3 4691 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,1,0,0,0,0|2,0,0]=3 4692 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,1,0,0,0,0|2,0,0]=3 4693 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,1,0,0,0,0|2,0,0]=3 4694 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,1,0,0,0,0|2,0,0]=3 4695 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,1,0,0,0,0|2,0,0]=3 4696 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,1,0,0,0,0|2,0,0]=3 4697 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,1,0,0,0,0|2,0,0]=3 4698 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,1,0,0,0,0|2,0,0]=3 4699 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,1,0,0,0,0|2,0,0]=3 4700 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,1,0,0,0,0|2,0,0]=3 4701 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,1,0,0,0,0|2,0,0]=3 4702 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,1,0,0,0,0|2,0,0]=3 4703 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,1,0,0,0,0|2,0,0]=3 4704 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,1,0,0,0,0|2,0,0]=3 4705 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,1,0,0,0,0|2,0,0]=3 4706 B12R0.206 CCCCCCOC(C)COCC 34a_100000718985_100000210314 [0,1,0,0,0,0|2,0,1]=4 4707 B12R0.206 CCCCCCOC(C)COCC 7a_100000718985_100000210314 [0,1,0,0,0,0|2,0,1]=4 4708 B12R0.206 CCCCCNCC(=O)NCC#N 2230a_100000209983_100000736037 [0,1,0,0,0,0|2,0,1]=4 4709 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,1,0,0,0,0|2,0,0]=3 4710 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,1,0,0,0,0|2,0,0]=3 4711 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,1,0,0,0,0|2,0,0]=3 4712 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,1,0,0,0,0|1,0,0]=2 4713 B12R0.206 CCCCCNCC(C)OCCC 2230a_100015185124_100000210326 [0,1,0,0,0,0|2,0,1]=4 4714 B12R0.206 CCCCCNCC(C)OCCC 34a_100015185124_100000718602 [0,1,0,0,0,0|2,0,1]=4 4715 B12R0.206 CCCCCNCC(O)COCC 2230a_102515437182_100000210326 [0,1,0,0,0,0|1,0,2]=4 4716 B12R0.206 CCCCCNCC(O)COCC 34a_102515437182_100000718602 [0,1,0,0,0,0|1,0,2]=4 4717 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,1,0,0,0,0|3,0,0]=4 4718 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,1,0,0,0,0|3,0,0]=4 4719 B12R0.206 CCCCCNNC(=O)CCSC 22a_100000694160_100000174002 [0,1,0,0,0,0|3,0,0]=4 4720 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,1,0,0,0,0|2,0,0]=3 4721 B12R0.206 CCCCCNNC(=O)CSCC 22a_100000694160_100000230394 [0,1,0,0,0,0|2,1,0]=4 4722 B12R0.206 CCCCCNNC(=O)NCCC 273464a_100020643023_100000694160 [0,1,0,0,0,0|3,0,0]=4 4723 B12R0.206 CCCCCNNC(=O)NCCC 512a_100000694160_100020643023 [0,1,0,0,0,0|3,0,0]=4 4724 B12R0.206 CCCCCNNC(=O)NCCC 512a_100020643023_100000694160 [0,1,0,0,0,0|3,0,0]=4 4725 B12R0.206 CCCCCNNC(=O)NCCF 273464a_100000724931_100000694160 [0,1,0,0,0,0|3,0,0]=4 4726 B12R0.206 CCCCCNNC(=O)NCCF 512a_100000694160_100000724931 [0,1,0,0,0,0|3,0,0]=4 4727 B12R0.206 CCCCCNNC(=O)NCCO 273464a_100000210304_100000694160 [0,1,0,0,0,0|3,0,0]=4 4728 B12R0.206 CCCCCNNC(=O)NCCO 512a_100000694160_100000210304 [0,1,0,0,0,0|3,0,0]=4 4729 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000694160_100000756455 [0,1,0,0,0,0|3,0,0]=4 4730 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000756455_100000694160 [0,1,0,0,0,0|3,0,0]=4 4731 B12R0.206 CCCCCOCC(=O)NCC#N 7a_100000210253_100000736037 [0,1,0,0,0,0|2,0,1]=4 4732 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,1,0,0,0,0|2,0,0]=3 4733 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,1,0,0,0,0|2,0,0]=3 4734 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,1,0,0,0,0|1,0,0]=2 4735 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,1,0,0,0,0|1,0,0]=2 4736 B12R0.206 CCCCCOC[C@@H](C)OCOC 34a_100016172286_100000718602 [0,1,0,0,0,0|2,0,1]=4 4737 B12R0.206 CCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210326 [0,1,0,0,0,0|2,0,1]=4 4738 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000210326_100000736037 [0,1,0,0,0,0|2,0,1]=4 4739 B12R0.206 CCCCCSCC(=O)NCC#N 62a_100000736037_100000210326 [0,1,0,0,0,0|2,0,1]=4 4740 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,1,0,0,0,0|2,0,0]=3 4741 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,1,0,0,0,0|2,0,0]=3 4742 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,1,0,0,0,0|1,0,0]=2 4743 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,1,0,0,0,0|1,0,0]=2 4744 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,1,0,0,0,0|2,0,0]=3 4745 B12R0.206 CCCCOCCC(=O)C#CCO 1458a_100000049017_100000743108 [0,1,0,0,0,0|2,0,1]=4 4746 B12R0.206 CCCCOCCC(=O)C=COC 1458a_100016268678_100000743108 [0,1,0,0,0,0|2,0,1]=4 4747 B12R0.206 CCCCOCCC(=O)CCC#N 1458a_100011934036_100000743108 [0,1,0,0,0,0|2,0,1]=4 4748 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,1,0,0,0,0|2,0,0]=3 4749 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,1,0,0,0,0|2,0,0]=3 4750 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,1,0,0,0,0|2,0,0]=3 4751 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,1,0,0,0,0|1,0,0]=2 4752 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [0,1,0,0,0,0|1,1,0]=3 4753 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,1,0,0,0,0|2,0,0]=3 4754 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,1,0,0,0,0|2,0,0]=3 4755 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,1,0,0,0,0|2,0,0]=3 4756 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,1,0,0,0,0|2,0,0]=3 4757 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,1,0,0,0,0|2,0,0]=3 4758 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,1,0,0,0,0|2,0,0]=3 4759 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,1,0,0,0,0|2,0,0]=3 4760 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,1,0,0,0,0|2,0,0]=3 4761 B12R0.206 CCCNC(=O)CCCNCCO 2230a_100016997473_100011194427 [0,1,0,0,0,0|3,0,0]=4 4762 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,1,0,0,0,0|2,0,0]=3 4763 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,1,0,0,0,0|2,0,0]=3 4764 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011194427_100011217306 [0,1,0,0,0,0|3,0,0]=4 4765 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011217306_100011194427 [0,1,0,0,0,0|3,0,0]=4 4766 B12R0.206 CCCNC(=O)CCCSCCO 62a_100000211926_100011194427 [0,1,0,0,0,0|3,0,0]=4 4767 B12R0.206 CCCNC(=O)CCCSCCO 62a_100011194427_100000211926 [0,1,0,0,0,0|3,0,0]=4 4768 B12R0.206 CCCNC(=O)CCCSCOC 62a_100000766300_100011194427 [0,1,0,0,0,0|3,0,0]=4 4769 B12R0.206 CCCNC(=O)CCCSCOC 62a_100011194427_100000766300 [0,1,0,0,0,0|3,0,0]=4 4770 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011194427_100011218213 [0,1,0,0,0,0|3,0,0]=4 4771 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011218213_100011194427 [0,1,0,0,0,0|3,0,0]=4 4772 B12R0.206 CCCNC(=O)CCOCCOC 11a_100020643023_100000745395 [0,1,0,0,0,0|3,0,0]=4 4773 B12R0.206 CCCNC(=O)CCOCCOC 1626a_100020643023_100000745395 [0,1,0,0,0,0|3,0,0]=4 4774 B12R0.206 CCCNC(=O)CCOCCOC 240690a_100020643023_100000745395 [0,1,0,0,0,0|3,0,0]=4 4775 B12R0.206 CCCNC(=O)CCOCCOC 527a_100020643023_100000745395 [0,1,0,0,0,0|3,0,0]=4 4776 B12R0.206 CCCNC(=O)CNCCCCF 2230a_100000174927_100000729493 [0,1,0,0,0,0|3,0,0]=4 4777 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000174927_100000210776 [0,1,0,0,0,0|3,0,0]=4 4778 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000750430_100000183358 [0,1,0,0,0,0|3,0,0]=4 4779 B12R0.206 CCCNC(=O)CNCCCCO 34a_100000750430_100000183358 [0,1,0,0,0,0|3,0,0]=4 4780 B12R0.206 CCCNC(=O)CNCCCOC 2230a_100000174927_100000740836 [0,1,0,0,0,0|3,0,0]=4 4781 B12R0.206 CCCNC(=O)CNCCCOC 34a_100150723488_100000183358 [0,1,0,0,0,0|3,0,0]=4 4782 B12R0.206 CCCNC(=O)CNCCCSC 2230a_100000749238_100000183358 [0,1,0,0,0,0|3,0,0]=4 4783 B12R0.206 CCCNC(=O)CNCCOCC 2230a_100000174927_100011215890 [0,1,0,0,0,0|3,0,0]=4 4784 B12R0.206 CCCNC(=O)CNCCOCC 2230a_102516460346_100000183358 [0,1,0,0,0,0|3,0,0]=4 4785 B12R0.206 CCCNC(=O)CNCCOCC 34a_102516460346_100000183358 [0,1,0,0,0,0|3,0,0]=4 4786 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000106463_100000183358 [0,1,0,0,0,0|3,0,0]=4 4787 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000174927_100000757381 [0,1,0,0,0,0|3,0,0]=4 4788 B12R0.206 CCCNC(=O)COCCCCBr 34a_100011216708_100000183358 [0,1,0,0,0,0|3,0,0]=4 4789 B12R0.206 CCCNC(=O)COCCCCCl 34a_100000210776_100000183358 [0,1,0,0,0,0|3,0,0]=4 4790 B12R0.206 CCCNC(=O)COCCCCCl 7a_100000210776_100000183358 [0,1,0,0,0,0|3,0,0]=4 4791 B12R0.206 CCCNC(=O)COCCCCF 34a_100011995726_100000183358 [0,1,0,0,0,0|3,0,0]=4 4792 B12R0.206 CCCNC(=O)COCCCCF 7a_100011995726_100000183358 [0,1,0,0,0,0|3,0,0]=4 4793 B12R0.206 CCCNC(=O)COCCCCI 34a_200012148704_100000183358 [0,1,0,0,0,0|3,0,0]=4 4794 B12R0.206 CCCNC(=O)COCCCCN 34a_100000750430_100000183358 [0,1,0,0,0,0|3,0,0]=4 4795 B12R0.206 CCCNC(=O)COCCCNC 34a_100000213112_100000183358 [0,1,0,0,0,0|3,0,0]=4 4796 B12R0.206 CCCNC(=O)COCCCOC 34a_100000740835_100000183358 [0,1,0,0,0,0|3,0,0]=4 4797 B12R0.206 CCCNC(=O)COCCCSC 34a_100000690336_100000183358 [0,1,0,0,0,0|3,0,0]=4 4798 B12R0.206 CCCNC(=O)COCCCSC 7a_100000690336_100000183358 [0,1,0,0,0,0|3,0,0]=4 4799 B12R0.206 CCCNC(=O)COCCOCC 34a_100000210136_100000183358 [0,1,0,0,0,0|3,0,0]=4 4800 B12R0.206 CCCNC(=O)COCCOCC 7a_100000210136_100000183358 [0,1,0,0,0,0|3,0,0]=4 4801 B12R0.206 CCCNC(=O)COCCSCC 34a_100000212035_100000183358 [0,1,0,0,0,0|3,0,0]=4 4802 B12R0.206 CCCNC(=O)COCCSCC 7a_100000212035_100000183358 [0,1,0,0,0,0|3,0,0]=4 4803 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000183358_100000729493 [0,1,0,0,0,0|3,0,0]=4 4804 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000729493_100000183358 [0,1,0,0,0,0|3,0,0]=4 4805 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000183358_100000210776 [0,1,0,0,0,0|3,0,0]=4 4806 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000210776_100000183358 [0,1,0,0,0,0|3,0,0]=4 4807 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000183358_100000709357 [0,1,0,0,0,0|3,0,0]=4 4808 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000709357_100000183358 [0,1,0,0,0,0|3,0,0]=4 4809 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000183358_100011215890 [0,1,0,0,0,0|3,0,0]=4 4810 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000210147_100000183358 [0,1,0,0,0,0|3,0,0]=4 4811 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000183358_100000757381 [0,1,0,0,0,0|3,0,0]=4 4812 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000757381_100000183358 [0,1,0,0,0,0|3,0,0]=4 4813 B12R0.206 CCCNC(=O)NCCCCCO 2708a_100020643023_100000762737 [0,1,0,0,0,0|3,0,0]=4 4814 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100000762737_100020643023 [0,1,0,0,0,0|3,0,0]=4 4815 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100020643023_100000762737 [0,1,0,0,0,0|3,0,0]=4 4816 B12R0.206 CCCNC(=O)NCCCCCO 512a_100000762737_100020643023 [0,1,0,0,0,0|3,0,0]=4 4817 B12R0.206 CCCNC(=O)NCCCCCO 512a_100020643023_100000762737 [0,1,0,0,0,0|3,0,0]=4 4818 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100000210961_100020643023 [0,1,0,0,0,0|3,0,0]=4 4819 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100020643023_100000210961 [0,1,0,0,0,0|3,0,0]=4 4820 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100000210961_100020643023 [0,1,0,0,0,0|3,0,0]=4 4821 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100020643023_100000210961 [0,1,0,0,0,0|3,0,0]=4 4822 B12R0.206 CCCNC(=O)NCCCOCC 512a_100000210961_100020643023 [0,1,0,0,0,0|3,0,0]=4 4823 B12R0.206 CCCNC(=O)NCCCOCC 512a_100020643023_100000210961 [0,1,0,0,0,0|3,0,0]=4 4824 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100020643023_100161115042 [0,1,0,0,0,0|3,0,0]=4 4825 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100161115042_100020643023 [0,1,0,0,0,0|3,0,0]=4 4826 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100020643023_100161115042 [0,1,0,0,0,0|3,0,0]=4 4827 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100161115042_100020643023 [0,1,0,0,0,0|3,0,0]=4 4828 B12R0.206 CCCNC(=O)NCCOCCC 512a_100020643023_100161115042 [0,1,0,0,0,0|3,0,0]=4 4829 B12R0.206 CCCNC(=O)NCCOCCC 512a_100161115042_100020643023 [0,1,0,0,0,0|3,0,0]=4 4830 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020603323_100020643023 [0,1,0,0,0,0|3,0,0]=4 4831 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020643023_100020603323 [0,1,0,0,0,0|3,0,0]=4 4832 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020603323_100020643023 [0,1,0,0,0,0|3,0,0]=4 4833 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020643023_100020603323 [0,1,0,0,0,0|3,0,0]=4 4834 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020603323_100020643023 [0,1,0,0,0,0|3,0,0]=4 4835 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020643023_100020603323 [0,1,0,0,0,0|3,0,0]=4 4836 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,1,0,0,0,0|2,0,0]=3 4837 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,1,0,0,0,0|2,0,0]=3 4838 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,1,0,0,0,0|2,0,0]=3 4839 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,1,0,0,0,0|2,0,0]=3 4840 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,1,0,0,0,0|2,0,0]=3 4841 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,1,0,0,0,0|2,0,0]=3 4842 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,1,0,0,0,0|2,0,0]=3 4843 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,1,0,0,0,0|2,0,0]=3 4844 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,1,0,0,0,0|2,0,0]=3 4845 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,1,0,0,0,0|2,0,0]=3 4846 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,1,0,0,0,0|2,0,0]=3 4847 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,1,0,0,0,0|2,0,0]=3 4848 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,1,0,0,0,0|2,0,0]=3 4849 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,1,0,0,0,0|2,0,0]=3 4850 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,1,0,0,0,0|2,0,0]=3 4851 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,1,0,0,0,0|2,0,0]=3 4852 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,1,0,0,0,0|2,0,0]=3 4853 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,1,0,0,0,0|2,0,0]=3 4854 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,1,0,0,0,0|2,0,0]=3 4855 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,1,0,0,0,0|2,0,0]=3 4856 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,1,0,0,0,0|2,0,0]=3 4857 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,1,0,0,0,0|2,0,0]=3 4858 B12R0.206 CCCOC(=O)CSCCCC#N 62a_100000687738_200011215008 [0,1,0,0,0,0|2,0,1]=4 4859 B12R0.206 CCCOC(=O)CSCCCC#N 62a_200011215008_100000687738 [0,1,0,0,0,0|2,0,1]=4 4860 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011215008_200011292268 [0,1,0,0,0,0|2,0,1]=4 4861 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011292268_200011215008 [0,1,0,0,0,0|2,0,1]=4 4862 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,1,0,0,0,0|2,0,0]=3 4863 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,1,0,0,0,0|2,0,0]=3 4864 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,1,0,0,0,0|2,0,0]=3 4865 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,1,0,0,0,0|2,0,0]=3 4866 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,1,0,0,0,0|2,0,0]=3 4867 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,1,0,0,0,0|2,0,0]=3 4868 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,1,0,0,0,0|2,0,0]=3 4869 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,1,0,0,0,0|2,0,0]=3 4870 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,1,0,0,0,0|2,0,0]=3 4871 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,1,0,0,0,0|2,0,0]=3 4872 B12R0.206 CCCOC(=O)OCNCCCF 34a_100015189416_200000139673 [0,1,0,0,0,0|3,0,0]=4 4873 B12R0.206 CCCOC(=O)OCOCCCBr 34a_100011217188_200000139673 [0,1,0,0,0,0|3,0,0]=4 4874 B12R0.206 CCCOC(=O)OCOCCCCl 34a_100000230001_200000139673 [0,1,0,0,0,0|3,0,0]=4 4875 B12R0.206 CCCOC(=O)OCOCCCF 34a_100000759539_200000139673 [0,1,0,0,0,0|3,0,0]=4 4876 B12R0.206 CCCOC(=O)OCOCCCN 34a_100000182051_200000139673 [0,1,0,0,0,0|3,0,0]=4 4877 B12R0.206 CCCOC(=O)OCOCCOC 34a_100000210237_200000139673 [0,1,0,0,0,0|3,0,0]=4 4878 B12R0.206 CCCOC(=O)OCOCCSC 34a_100000230434_200000139673 [0,1,0,0,0,0|3,0,0]=4 4879 B12R0.206 CCCOC(=O)OCOCCSC 7a_100000230434_200000139673 [0,1,0,0,0,0|3,0,0]=4 4880 B12R0.206 CCCOC(=O)OCSCCCF 62a_100011934791_200000139673 [0,1,0,0,0,0|3,0,0]=4 4881 B12R0.206 CCCOC(=O)OCSCCCO 62a_100011215043_200000139673 [0,1,0,0,0,0|3,0,0]=4 4882 B12R0.206 CCCOC(=O)OCSCCOC 62a_100000233755_200000139673 [0,1,0,0,0,0|3,0,0]=4 4883 B12R0.206 CCCOC(=O)OCSCCSC 62a_100000212216_200000139673 [0,1,0,0,0,0|3,0,0]=4 4884 B12R0.206 CCCOC(=O)OCSCOCC 62a_100000739092_200000139673 [0,1,0,0,0,0|3,0,0]=4 4885 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,1,0,0,0,0|3,0,0]=4 4886 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,1,0,0,0,0|3,0,0]=4 4887 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,1,0,0,0,0|3,0,0]=4 4888 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,1,0,0,0,0|3,0,0]=4 4889 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,1,0,0,0,0|3,0,0]=4 4890 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,1,0,0,0,0|3,0,0]=4 4891 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,1,0,0,0,0|2,0,0]=3 4892 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,1,0,0,0,0|2,0,0]=3 4893 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,1,0,0,0,0|2,0,0]=3 4894 B12R0.206 CCCOCCNC(=O)CSCC 1626a_100161115042_100000230394 [0,1,0,0,0,0|2,1,0]=4 4895 B12R0.206 CCCOCCNC(=O)CSCC 240690a_100161115042_100000230394 [0,1,0,0,0,0|2,1,0]=4 4896 B12R0.206 CCCOCCNC(=O)CSCC 527a_100161115042_100000230394 [0,1,0,0,0,0|2,1,0]=4 4897 B12R0.206 CCCOCCNC(=O)NCCF 2708a_100161115042_100000724931 [0,1,0,0,0,0|3,0,0]=4 4898 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100000724931_100161115042 [0,1,0,0,0,0|3,0,0]=4 4899 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100161115042_100000724931 [0,1,0,0,0,0|3,0,0]=4 4900 B12R0.206 CCCOCCNC(=O)NCCF 512a_100161115042_100000724931 [0,1,0,0,0,0|3,0,0]=4 4901 B12R0.206 CCCOCCNC(=O)NCCO 2708a_100161115042_100000210304 [0,1,0,0,0,0|3,0,0]=4 4902 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100000210304_100161115042 [0,1,0,0,0,0|3,0,0]=4 4903 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100161115042_100000210304 [0,1,0,0,0,0|3,0,0]=4 4904 B12R0.206 CCCOCCNC(=O)NCCO 512a_100161115042_100000210304 [0,1,0,0,0,0|3,0,0]=4 4905 B12R0.206 CCCOCCNC(=O)NNCC 273464a_100161115042_100000756455 [0,1,0,0,0,0|3,0,0]=4 4906 B12R0.206 CCCOCCNC(=O)NNCC 512a_100000756455_100161115042 [0,1,0,0,0,0|3,0,0]=4 4907 B12R0.206 CCCOCCNC(=O)NNCC 512a_100161115042_100000756455 [0,1,0,0,0,0|3,0,0]=4 4908 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,1,0,0,0,0|3,0,0]=4 4909 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,1,0,0,0,0|3,0,0]=4 4910 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,1,0,0,0,0|3,0,0]=4 4911 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,1,0,0,0,0|3,0,0]=4 4912 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,1,0,0,0,0|3,0,0]=4 4913 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,1,0,0,0,0|3,0,0]=4 4914 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,1,0,0,0,0|2,0,0]=3 4915 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,1,0,0,0,0|2,0,0]=3 4916 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,1,0,0,0,0|2,0,0]=3 4917 B12R0.206 CCCSCCNC(=O)CSCC 11a_100020603323_100000230394 [0,1,0,0,0,0|2,1,0]=4 4918 B12R0.206 CCCSCCNC(=O)CSCC 240690a_100020603323_100000230394 [0,1,0,0,0,0|2,1,0]=4 4919 B12R0.206 CCCSCCNC(=O)CSCC 527a_100020603323_100000230394 [0,1,0,0,0,0|2,1,0]=4 4920 B12R0.206 CCCSCCNC(=O)NCCF 2708a_100020603323_100000724931 [0,1,0,0,0,0|3,0,0]=4 4921 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100000724931_100020603323 [0,1,0,0,0,0|3,0,0]=4 4922 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100020603323_100000724931 [0,1,0,0,0,0|3,0,0]=4 4923 B12R0.206 CCCSCCNC(=O)NCCF 512a_100020603323_100000724931 [0,1,0,0,0,0|3,0,0]=4 4924 B12R0.206 CCCSCCNC(=O)NCCO 2708a_100020603323_100000210304 [0,1,0,0,0,0|3,0,0]=4 4925 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100000210304_100020603323 [0,1,0,0,0,0|3,0,0]=4 4926 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100020603323_100000210304 [0,1,0,0,0,0|3,0,0]=4 4927 B12R0.206 CCCSCCNC(=O)NCCO 512a_100020603323_100000210304 [0,1,0,0,0,0|3,0,0]=4 4928 B12R0.206 CCCSCCNC(=O)NNCC 273464a_100020603323_100000756455 [0,1,0,0,0,0|3,0,0]=4 4929 B12R0.206 CCCSCCNC(=O)NNCC 512a_100000756455_100020603323 [0,1,0,0,0,0|3,0,0]=4 4930 B12R0.206 CCCSCCNC(=O)NNCC 512a_100020603323_100000756455 [0,1,0,0,0,0|3,0,0]=4 4931 B12R0.206 CCNNC(=O)CCCCCOC 22a_100000756455_100011935119 [0,1,0,0,0,0|2,0,0]=3 4932 B12R0.206 CCNNC(=O)CCOCCOC 22a_100000756455_100000745395 [0,1,0,0,0,0|3,0,0]=4 4933 B12R0.206 CCNNC(=O)NCCCCCO 273464a_100000762737_100000756455 [0,1,0,0,0,0|3,0,0]=4 4934 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000756455_100000762737 [0,1,0,0,0,0|3,0,0]=4 4935 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000762737_100000756455 [0,1,0,0,0,0|3,0,0]=4 4936 B12R0.206 CCNNC(=O)NCCCOCC 273464a_100000210961_100000756455 [0,1,0,0,0,0|3,0,0]=4 4937 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000210961_100000756455 [0,1,0,0,0,0|3,0,0]=4 4938 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000756455_100000210961 [0,1,0,0,0,0|3,0,0]=4 4939 B12R0.206 CCOCC(=O)CCCCCC#N 1458a_100000211967_100009813376 [0,1,0,0,0,0|1,0,1]=3 4940 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,1,0,0,0,0|1,0,0]=2 4941 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,1,0,0,0,0|1,0,0]=2 4942 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [0,1,0,0,0,0|2,0,0]=3 4943 B12R0.206 CCOCC(=O)NCCCCC#N 11a_100000751965_100000211967 [0,1,0,0,0,0|2,0,1]=4 4944 B12R0.206 CCOCC(=O)NCCCCC#N 1626a_100000751965_100000211967 [0,1,0,0,0,0|2,0,1]=4 4945 B12R0.206 CCOCC(=O)NCCCCC#N 240690a_100000751965_100000211967 [0,1,0,0,0,0|2,0,1]=4 4946 B12R0.206 CCOCC(=O)NCCCCC#N 527a_100000751965_100000211967 [0,1,0,0,0,0|2,0,1]=4 4947 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,1,0,0,0,0|2,0,0]=3 4948 B12R0.206 CCOCC(=O)NCCOCCO 240690a_100000211614_100000211967 [0,1,0,0,0,0|3,0,0]=4 4949 B12R0.206 CCOCC(=O)NCCSCCO 240690a_100011219999_100000211967 [0,1,0,0,0,0|3,0,0]=4 4950 B12R0.206 CCOCC(=O)NCCSCCO 527a_100011219999_100000211967 [0,1,0,0,0,0|3,0,0]=4 4951 B12R0.206 CCOCC(=O)NNCCCOC 22a_100025702787_100000211967 [0,1,0,0,0,0|3,0,0]=4 4952 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,1,0,0,0,0|3,0,0]=4 4953 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,1,0,0,0,0|3,0,0]=4 4954 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,1,0,0,0,0|3,0,0]=4 4955 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,1,0,0,0,0|3,0,0]=4 4956 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,1,0,0,0,0|3,0,0]=4 4957 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,1,0,0,0,0|3,0,0]=4 4958 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,1,0,0,0,0|3,0,0]=4 4959 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,1,0,0,0,0|3,0,0]=4 4960 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,1,0,0,0,0|2,0,0]=3 4961 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,1,0,0,0,0|2,0,0]=3 4962 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,1,0,0,0,0|2,0,0]=3 4963 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,1,0,0,0,0|2,0,0]=3 4964 B12R0.206 CCOCCCNC(=O)CSCC 11a_100000210961_100000230394 [0,1,0,0,0,0|2,1,0]=4 4965 B12R0.206 CCOCCCNC(=O)CSCC 1626a_100000210961_100000230394 [0,1,0,0,0,0|2,1,0]=4 4966 B12R0.206 CCOCCCNC(=O)CSCC 240690a_100000210961_100000230394 [0,1,0,0,0,0|2,1,0]=4 4967 B12R0.206 CCOCCCNC(=O)CSCC 527a_100000210961_100000230394 [0,1,0,0,0,0|2,1,0]=4 4968 B12R0.206 CCOCCCNC(=O)NCCF 2708a_100000210961_100000724931 [0,1,0,0,0,0|3,0,0]=4 4969 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000210961_100000724931 [0,1,0,0,0,0|3,0,0]=4 4970 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000724931_100000210961 [0,1,0,0,0,0|3,0,0]=4 4971 B12R0.206 CCOCCCNC(=O)NCCF 512a_100000210961_100000724931 [0,1,0,0,0,0|3,0,0]=4 4972 B12R0.206 CCOCCCNC(=O)NCCO 2708a_100000210961_100000210304 [0,1,0,0,0,0|3,0,0]=4 4973 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210304_100000210961 [0,1,0,0,0,0|3,0,0]=4 4974 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210961_100000210304 [0,1,0,0,0,0|3,0,0]=4 4975 B12R0.206 CCOCCCNC(=O)NCCO 512a_100000210961_100000210304 [0,1,0,0,0,0|3,0,0]=4 4976 B12R0.206 CCOCCNCC(=O)NCCF 2230a_100000725713_100011215890 [0,1,0,0,0,0|3,0,0]=4 4977 B12R0.206 CCOCCNNC(=O)COCC 22a_100000732670_100000211967 [0,1,0,0,0,0|3,0,0]=4 4978 B12R0.206 CCSCC(=O)CCCCCC#N 1458a_100000230394_100009813376 [0,1,0,0,0,0|1,1,1]=4 4979 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,1,0,0,0,0|1,1,0]=3 4980 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,1,0,0,0,0|1,1,0]=3 4981 B12R0.206 CCSCC(=O)CCOCCOC 1458a_100000230394_100000695917 [0,1,0,0,0,0|2,1,0]=4 4982 B12R0.206 CCSCC(=O)NCCCCCO 240690a_100000762737_100000230394 [0,1,0,0,0,0|2,1,0]=4 4983 B12R0.206 CCSCCNCC(=O)NCCF 2230a_100000725713_100000757381 [0,1,0,0,0,0|3,0,0]=4 4984 B12R0.206 COC=CC(=O)CCCCCCF 1458a_100016268678_100015922095 [0,1,0,0,0,0|2,0,1]=4 4985 B12R0.206 COC=CC(=O)CCCCCCO 1458a_100016268678_100000766143 [0,1,0,0,0,0|2,0,1]=4 4986 B12R0.206 COCCC(=O)CCCCCC#N 1458a_100000749529_100009813376 [0,1,0,0,0,0|2,0,1]=4 4987 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,1,0,0,0,0|2,0,0]=3 4988 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,1,0,0,0,0|2,0,0]=3 4989 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,1,0,0,0,0|2,0,0]=3 4990 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,1,0,0,0,0|3,0,0]=4 4991 B12R0.206 COCCCCCC(=O)CCC#N 1458a_100011935119_100011215226 [0,1,0,0,0,0|2,0,1]=4 4992 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,1,0,0,0,0|2,0,0]=3 4993 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,1,0,0,0,0|2,0,0]=3 4994 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,1,0,0,0,0|2,0,0]=3 4995 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,1,0,0,0,0|2,0,0]=3 4996 B12R0.206 COCCCCCC(=O)NCC#N 1626a_100000734998_100011935119 [0,1,0,0,0,0|2,0,1]=4 4997 B12R0.206 COCCCCCC(=O)NCC#N 527a_100000734998_100011935119 [0,1,0,0,0,0|2,0,1]=4 4998 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [0,1,0,0,0,0|2,0,0]=3 4999 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [0,1,0,0,0,0|2,0,0]=3 5000 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [0,1,0,0,0,0|2,0,0]=3 5001 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [0,1,0,0,0,0|2,0,0]=3 5002 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,1,0,0,0,0|2,0,0]=3 5003 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,1,0,0,0,0|2,0,0]=3 5004 B12R0.206 COCCCNCC(=O)NCCF 2230a_100000725713_100000740836 [0,1,0,0,0,0|3,0,0]=4 5005 B12R0.206 COCCOCCC(=O)CCCF 1458a_100000745395_100011934791 [0,1,0,0,0,0|3,0,0]=4 5006 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,1,0,0,0,0|3,0,0]=4 5007 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000745395_100000233755 [0,1,0,0,0,0|3,0,0]=4 5008 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000749529_100000695917 [0,1,0,0,0,0|3,0,0]=4 5009 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000174002_100000695917 [0,1,0,0,0,0|3,0,0]=4 5010 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000745395_100000751147 [0,1,0,0,0,0|3,0,0]=4 5011 B12R0.206 COCCOCCC(=O)NCCF 11a_100000724931_100000745395 [0,1,0,0,0,0|3,0,0]=4 5012 B12R0.206 COCCOCCC(=O)NCCF 1626a_100000724931_100000745395 [0,1,0,0,0,0|3,0,0]=4 5013 B12R0.206 COCCOCCC(=O)NCCF 240690a_100000724931_100000745395 [0,1,0,0,0,0|3,0,0]=4 5014 B12R0.206 COCCOCCC(=O)NCCF 527a_100000724931_100000745395 [0,1,0,0,0,0|3,0,0]=4 5015 B12R0.206 COCCOCCC(=O)NCCO 240690a_100000210304_100000745395 [0,1,0,0,0,0|3,0,0]=4 5016 B12R0.206 COCCOCCC(=O)NCCO 527a_100000210304_100000745395 [0,1,0,0,0,0|3,0,0]=4 5017 B12R0.206 CSCCC(=O)CCCCCC#N 1458a_100000174002_100009813376 [0,1,0,0,0,0|2,0,1]=4 5018 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,1,0,0,0,0|2,0,0]=3 5019 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,1,0,0,0,0|2,0,0]=3 5020 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,1,0,0,0,0|2,0,0]=3 5021 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,1,0,0,0,0|3,0,0]=4 5022 B12R0.206 N#CCCC(=O)CCCCCCF 1458a_100011934036_100015922095 [0,1,0,0,0,0|2,0,1]=4 5023 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011934036_100000766143 [0,1,0,0,0,0|2,0,1]=4 5024 B12R0.206 N#CCCC(=O)CCCCCCO 1458a_100011996774_100011215226 [0,1,0,0,0,0|2,0,1]=4 5025 B12R0.206 O=C(C#CCO)CCCCCCF 1458a_100000049017_100015922095 [0,1,0,0,0,0|2,0,1]=4 5026 B12R0.206 O=C(C#CCO)CCCCCCO 1458a_100000049017_100000766143 [0,1,0,0,0,0|2,0,1]=4 5027 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,1,0,0,0,0|2,0,0]=3 5028 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,1,0,0,0,0|2,0,0]=3 5029 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,1,0,0,0,0|2,0,0]=3 5030 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,1,0,0,0,0|2,0,0]=3 5031 B12R0.206 O=C(CNCCCCF)NCCF 2230a_100000725713_100000729493 [0,1,0,0,0,0|3,0,0]=4 5032 B12R0.206 O=C(CNCCCCO)NCCF 2230a_100000725713_100000210776 [0,1,0,0,0,0|3,0,0]=4 5033 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000724931_100000762737 [0,1,0,0,0,0|3,0,0]=4 5034 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000762737_100000724931 [0,1,0,0,0,0|3,0,0]=4 5035 B12R0.206 O=C(NCCF)NCCCCCO 512a_100000762737_100000724931 [0,1,0,0,0,0|3,0,0]=4 5036 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000210304_100000762737 [0,1,0,0,0,0|3,0,0]=4 5037 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000762737_100000210304 [0,1,0,0,0,0|3,0,0]=4 5038 B12R0.206 O=C(NCCO)NCCCCCO 512a_100000762737_100000210304 [0,1,0,0,0,0|3,0,0]=4 5039 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000731252 [0,1,0,0,0,0|0,0,3]=4 5040 B12R0.239 C#CCCCC(=O)CC(=O)OCC 1458a_100000690238_100000188475 [0,1,0,0,0,0|0,0,3]=4 5041 B12R0.239 C#CCCCN(C)CC(=O)OCC 2230a_100000220588_100000731252 [0,1,0,0,0,0|1,0,2]=4 5042 B12R0.239 C#CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000688953 [0,1,0,0,0,0|1,0,2]=4 5043 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100000688953_100009817359 [0,1,0,0,0,0|1,0,2]=4 5044 B12R0.239 C#CCCSC(C)CC(=O)OCC 62a_100009817359_100000688953 [0,1,0,0,0,0|1,0,2]=4 5045 B12R0.239 C#CCNC[C@@H](O)CC(=O)OCC 34a_100000212058_100000688340 [0,1,0,0,0,0|1,0,2]=4 5046 B12R0.239 C#CCOC[C@@H](O)CC(=O)OCC 34a_100000210247_100000688340 [0,1,0,0,0,0|1,0,2]=4 5047 B12R0.239 C#CCSC[C@@H](O)CC(=O)OCC 62a_100000038162_100000688340 [0,1,0,0,0,0|1,0,2]=4 5048 B12R0.239 C/C=C/CO[C@H](C)CC(=O)OCC 7a_100009816390_100102629194 [0,1,0,0,0,0|1,0,2]=4 5049 B12R0.239 C/C=C/CSC(C)CC(=O)OCC 62a_100009817359_100102629194 [0,1,0,0,0,0|1,0,2]=4 5050 B12R0.239 C/C=C/CSC(C)CC(=O)OCC 62a_100102629194_100009817359 [0,1,0,0,0,0|1,0,2]=4 5051 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,1,0,0,0,0|2,0,1]=4 5052 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000757094 [0,1,0,0,0,0|0,0,3]=4 5053 B12R0.239 C=CCCCC(=O)CC(=O)OCC 1458a_100000766728_100000188475 [0,1,0,0,0,0|0,0,3]=4 5054 B12R0.239 C=CCCCN(C)CC(=O)OCC 2230a_100000220588_100011713584 [0,1,0,0,0,0|1,0,2]=4 5055 B12R0.239 C=CCCNC(C)CC(=O)OCC 2230a_100015191253_100009817359 [0,1,0,0,0,0|1,0,2]=4 5056 B12R0.239 C=CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000754431 [0,1,0,0,0,0|1,0,2]=4 5057 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100000754431_100009817359 [0,1,0,0,0,0|1,0,2]=4 5058 B12R0.239 C=CCCSC(C)CC(=O)OCC 62a_100009817359_100000754431 [0,1,0,0,0,0|1,0,2]=4 5059 B12R0.239 C=CCOC[C@@H](O)CC(=O)OCC 34a_200000210373_100000688340 [0,1,0,0,0,0|1,0,2]=4 5060 B12R0.239 C=CCSC[C@@H](O)CC(=O)OCC 62a_100000210623_100000688340 [0,1,0,0,0,0|1,0,2]=4 5061 B12R0.239 C=CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210623 [0,1,0,0,0,0|1,0,2]=4 5062 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,1,0,0,0,0|0,0,3]=4 5063 B12R0.239 C=COC(=O)CN(C)CCCCC 2230a_100000223495_100000036128 [0,1,0,0,0,0|1,0,2]=4 5064 B12R0.239 C=COC(=O)CN(C)CCCCC 269982a_100000223495_100000036128 [0,1,0,0,0,0|1,0,2]=4 5065 B12R0.239 CC#CC(=O)CC(=O)CCCCC 1458a_100000763181_200012276598 [0,1,0,0,0,0|1,0,2]=4 5066 B12R0.239 CC#CCNC(C)CC(=O)OCC 2230a_100000685387_100009817359 [0,1,0,0,0,0|1,0,2]=4 5067 B12R0.239 CC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000748600 [0,1,0,0,0,0|1,0,2]=4 5068 B12R0.239 CC#CCSC(C)CC(=O)OCC 62a_100000748600_100009817359 [0,1,0,0,0,0|1,0,2]=4 5069 B12R0.239 CC#CCSC(C)CC(=O)OCC 62a_100009817359_100000748600 [0,1,0,0,0,0|1,0,2]=4 5070 B12R0.239 CC/C=C/CC(=O)CC(=O)OCC 1458a_100016274230_100000188475 [0,1,0,0,0,0|0,0,3]=4 5071 B12R0.239 CC/C=C\CC(=O)CC(=O)OCC 1458a_100000243816_100103147603 [0,1,0,0,0,0|0,0,3]=4 5072 B12R0.239 CC/C=C\CN(C)CC(=O)OCC 2230a_100000220588_100103147603 [0,1,0,0,0,0|1,0,2]=4 5073 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,1,0,0,0,0|1,0,2]=4 5074 B12R0.239 CC=CC(=O)NC(C)CCCCC 11a_100000211957_100000210699 [0,1,0,0,0,0|2,0,1]=4 5075 B12R0.239 CC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000210699 [0,1,0,0,0,0|2,0,1]=4 5076 B12R0.239 CC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000210699 [0,1,0,0,0,0|2,0,1]=4 5077 B12R0.239 CC=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000070051 [0,1,0,0,0,0|1,0,2]=4 5078 B12R0.239 CC=CCSC(C)CC(=O)OCC 62a_100000070051_100009817359 [0,1,0,0,0,0|1,0,2]=4 5079 B12R0.239 CC=CCSC(C)CC(=O)OCC 62a_100009817359_100000070051 [0,1,0,0,0,0|1,0,2]=4 5080 B12R0.239 CCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009813939 [0,1,0,0,0,0|0,0,3]=4 5081 B12R0.239 CCC#CCN(C)CC(=O)OCC 2230a_100000220588_100009813939 [0,1,0,0,0,0|1,0,2]=4 5082 B12R0.239 CCCC#CC(=O)CC(=O)OCC 1458a_200011218047_100000188475 [0,1,0,0,0,0|0,0,3]=4 5083 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,1,0,0,0,0|2,0,1]=4 5084 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,1,0,0,0,0|2,0,1]=4 5085 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,1,0,0,0,0|2,0,1]=4 5086 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,1,0,0,0,0|2,0,1]=4 5087 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,1,0,0,0,0|2,0,1]=4 5088 B12R0.239 CCCC(=O)CN(C)CCCCO 2230a_100000717598_100000747444 [0,1,0,0,0,0|3,0,0]=4 5089 B12R0.239 CCCC(=O)CN(C)CCCCO 269982a_100000717598_100000747444 [0,1,0,0,0,0|3,0,0]=4 5090 B12R0.239 CCCC(=O)CN(C)CCCOC 2230a_100000224831_100000747444 [0,1,0,0,0,0|3,0,0]=4 5091 B12R0.239 CCCC(=O)CN(C)CCCOC 269982a_100000224831_100000747444 [0,1,0,0,0,0|3,0,0]=4 5092 B12R0.239 CCCC=CC(=O)CC(=O)OCC 1458a_100000212230_100000188475 [0,1,0,0,0,0|0,0,3]=4 5093 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,1,0,0,0,0|1,0,1]=3 5094 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,1,0,0,0,0|1,0,1]=3 5095 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,1,0,0,0,0|2,0,1]=4 5096 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,1,0,0,0,0|2,0,1]=4 5097 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,1,0,0,0,0|2,0,1]=4 5098 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,1,0,0,0,0|1,0,1]=3 5099 B12R0.239 CCCCCC(=O)CC(=O)NCO 1458a_100000212188_100000185155 [0,1,0,0,0,0|2,0,1]=4 5100 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,1,0,0,0,0|0,0,1]=2 5101 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,1,0,0,0,0|0,0,1]=2 5102 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,1,0,0,0,0|2,0,1]=4 5103 B12R0.239 CCCCCC(C)NC(=O)CCC 11a_100000211957_100000211992 [0,1,0,0,0,0|2,0,0]=3 5104 B12R0.239 CCCCCC(C)NC(=O)CCC 1626a_100000211957_100000211992 [0,1,0,0,0,0|2,0,0]=3 5105 B12R0.239 CCCCCC(C)NC(=O)CCC 240690a_100000211957_100000211992 [0,1,0,0,0,0|2,0,0]=3 5106 B12R0.239 CCCCCC(C)NC(=O)CCC 527a_100000211957_100000211992 [0,1,0,0,0,0|2,0,0]=3 5107 B12R0.239 CCCCCC(C)NC(=O)CCO 240690a_100000211957_100011216618 [0,1,0,0,0,0|3,0,0]=4 5108 B12R0.239 CCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230335 [0,1,0,0,0,0|3,0,0]=4 5109 B12R0.239 CCCCCC(C)NC(=O)CNC 34a_100102657272_100000230335 [0,1,0,0,0,0|3,0,0]=4 5110 B12R0.239 CCCCCC(C)NC(=O)CNC 7a_106832991635_100000230335 [0,1,0,0,0,0|3,0,0]=4 5111 B12R0.239 CCCCCC(C)NC(=O)COC 11a_100000211957_100000210968 [0,1,0,0,0,0|3,0,0]=4 5112 B12R0.239 CCCCCC(C)NC(=O)COC 1626a_100000211957_100000210968 [0,1,0,0,0,0|3,0,0]=4 5113 B12R0.239 CCCCCC(C)NC(=O)COC 240690a_100000211957_100000210968 [0,1,0,0,0,0|3,0,0]=4 5114 B12R0.239 CCCCCC(C)NC(=O)COC 34a_100138415774_100000230335 [0,1,0,0,0,0|3,0,0]=4 5115 B12R0.239 CCCCCC(C)NC(=O)COC 527a_100000211957_100000210968 [0,1,0,0,0,0|3,0,0]=4 5116 B12R0.239 CCCCCC(C)NC(=O)CSC 11a_100000211957_100000184570 [0,1,0,0,0,0|3,0,0]=4 5117 B12R0.239 CCCCCC(C)NC(=O)CSC 1626a_100000211957_100000184570 [0,1,0,0,0,0|3,0,0]=4 5118 B12R0.239 CCCCCC(C)NC(=O)CSC 240690a_100000211957_100000184570 [0,1,0,0,0,0|3,0,0]=4 5119 B12R0.239 CCCCCC(C)NC(=O)CSC 527a_100000211957_100000184570 [0,1,0,0,0,0|3,0,0]=4 5120 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_100000230335_200000210301 [0,1,0,0,0,0|3,0,0]=4 5121 B12R0.239 CCCCCC(C)NC(=O)CSC 62a_200000210301_100000230335 [0,1,0,0,0,0|3,0,0]=4 5122 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_100000230335_200025704644 [0,1,0,0,0,0|3,0,0]=4 5123 B12R0.239 CCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230335 [0,1,0,0,0,0|3,0,0]=4 5124 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100000211957_100015525214 [0,1,0,0,0,0|2,0,0]=3 5125 B12R0.239 CCCCCC(C)NC(=O)NCC 2708a_100015525214_100000211957 [0,1,0,0,0,0|2,0,0]=3 5126 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100000211957_100015525214 [0,1,0,0,0,0|2,0,0]=3 5127 B12R0.239 CCCCCC(C)NC(=O)NCC 273464a_100015525214_100000211957 [0,1,0,0,0,0|2,0,0]=3 5128 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100000211957_100015525214 [0,1,0,0,0,0|2,0,0]=3 5129 B12R0.239 CCCCCC(C)NC(=O)NCC 512a_100015525214_100000211957 [0,1,0,0,0,0|2,0,0]=3 5130 B12R0.239 CCCCCC(C)NC(=O)NNC 273464a_100000211957_100016993582 [0,1,0,0,0,0|3,0,0]=4 5131 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100000211957_100016993582 [0,1,0,0,0,0|3,0,0]=4 5132 B12R0.239 CCCCCC(C)NC(=O)NNC 512a_100016993582_100000211957 [0,1,0,0,0,0|3,0,0]=4 5133 B12R0.239 CCCCCC(C)OC(=O)CNC 2230a_106832991635_200000092394 [0,1,0,0,0,0|3,0,0]=4 5134 B12R0.239 CCCCCC(C)OC(=O)CNC 34a_100102657272_200000092394 [0,1,0,0,0,0|3,0,0]=4 5135 B12R0.239 CCCCCC(C)OC(=O)CNC 7a_106832991635_200000092394 [0,1,0,0,0,0|3,0,0]=4 5136 B12R0.239 CCCCCC(C)OC(=O)COC 34a_100138415774_200000092394 [0,1,0,0,0,0|3,0,0]=4 5137 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000092394_200000210301 [0,1,0,0,0,0|3,0,0]=4 5138 B12R0.239 CCCCCC(C)OC(=O)CSC 62a_200000210301_200000092394 [0,1,0,0,0,0|3,0,0]=4 5139 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200000092394_200025704644 [0,1,0,0,0,0|3,0,0]=4 5140 B12R0.239 CCCCCC(C)OC(=O)CS[13CH3] 62a_200025704644_200000092394 [0,1,0,0,0,0|3,0,0]=4 5141 B12R0.239 CCCCCN(C)CC(=O)CCC 2230a_100000223495_100000747444 [0,1,0,0,0,0|2,0,0]=3 5142 B12R0.239 CCCCCN(C)CC(=O)CCC 269982a_100000223495_100000747444 [0,1,0,0,0,0|2,0,0]=3 5143 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000223495_100000183381 [0,1,0,0,0,0|2,0,0]=3 5144 B12R0.239 CCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210326 [0,1,0,0,0,0|2,0,0]=3 5145 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000223495_100000183381 [0,1,0,0,0,0|2,0,0]=3 5146 B12R0.239 CCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210215 [0,1,0,0,0,0|2,0,0]=3 5147 B12R0.239 CCCCCN(C)CC(=O)NCO 2230a_100000223495_100000185155 [0,1,0,0,0,0|3,0,0]=4 5148 B12R0.239 CCCCCN(C)CC(=O)NCO 269982a_100000223495_100000185155 [0,1,0,0,0,0|3,0,0]=4 5149 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210326 [0,1,0,0,0,0|1,0,0]=2 5150 B12R0.239 CCCCCN(C)CC(=O)OCC 2230a_100000223495_100000188475 [0,1,0,0,0,0|1,0,0]=2 5151 B12R0.239 CCCCCN(C)CC(=O)OCC 269982a_100000223495_100000188475 [0,1,0,0,0,0|1,0,0]=2 5152 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,1,0,0,0,0|2,0,1]=4 5153 B12R0.239 CCCCNC(=O)CC(=O)OCC 240690a_100000102301_100000243816 [0,1,0,0,0,0|1,0,1]=3 5154 B12R0.239 CCCCNC(C)CC(=O)OCC 2230a_100000102301_100009817359 [0,1,0,0,0,0|1,0,0]=2 5155 B12R0.239 CCCCNC(C)CC(=O)OCC 7a_106832991798_100009817359 [0,1,0,0,0,0|1,0,0]=2 5156 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,1,0,0,0,0|2,0,1]=4 5157 B12R0.239 CCCCOC(C)CC(=O)OCC 7a_100000210227_100009817359 [0,1,0,0,0,0|1,0,0]=2 5158 B12R0.239 CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210211 [0,1,0,0,0,0|1,0,0]=2 5159 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100000210211_100009817359 [0,1,0,0,0,0|1,0,0]=2 5160 B12R0.239 CCCCSC(C)CC(=O)OCC 62a_100009817359_100000210210 [0,1,0,0,0,0|1,0,0]=2 5161 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000036008_100000210210 [0,1,0,0,0,0|2,0,0]=3 5162 B12R0.239 CCCCSC(C)OC(=O)OCC 62a_100000210211_100000036008 [0,1,0,0,0,0|2,0,0]=3 5163 B12R0.239 CCCNNC(=O)CC(=O)OCC 22a_100000740057_100000243816 [0,1,0,0,0,0|2,0,1]=4 5164 B12R0.239 CCCOCC(=CC(=O)OCC)C 34a_100000210258_100135422193 [0,1,0,0,0,0|1,0,2]=4 5165 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,1,0,0,0,0|2,0,1]=4 5166 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,1,0,0,0,0|2,0,1]=4 5167 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,1,0,0,0,0|1,0,1]=3 5168 B12R0.239 CCCOC[C@@H](O)CC(=O)OCC 34a_100000210258_100000688340 [0,1,0,0,0,0|1,0,0]=2 5169 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100000210303_100135422193 [0,1,0,0,0,0|1,0,2]=4 5170 B12R0.239 CCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210303 [0,1,0,0,0,0|1,0,2]=4 5171 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,1,0,0,0,0|2,0,1]=4 5172 B12R0.239 CCCSCC(=O)CC(=O)NCC 1458a_100000217233_100000183381 [0,1,0,0,0,0|2,0,1]=4 5173 B12R0.239 CCCSCC(=O)CC(=O)OCC 1458a_100000217233_100000188475 [0,1,0,0,0,0|1,0,1]=3 5174 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210303_100000210311 [0,1,0,0,0,0|1,0,1]=3 5175 B12R0.239 CCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210303 [0,1,0,0,0,0|1,0,1]=3 5176 B12R0.239 CCCSCC(=O)NC(=O)OCC 62a_100000210303_100000010344 [0,1,0,0,0,0|2,0,1]=4 5177 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000210303_100000688340 [0,1,0,0,0,0|1,0,0]=2 5178 B12R0.239 CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210303 [0,1,0,0,0,0|1,0,0]=2 5179 B12R0.239 CCNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183381 [0,1,0,0,0,0|2,0,1]=4 5180 B12R0.239 CCNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183381 [0,1,0,0,0,0|2,0,1]=4 5181 B12R0.239 CCNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183381 [0,1,0,0,0,0|2,0,1]=4 5182 B12R0.239 CCNC(=O)CC(=O)CCOCC 1458a_100000749530_100000183381 [0,1,0,0,0,0|2,0,1]=4 5183 B12R0.239 CCNC(=O)CC(=O)CCSCC 1458a_100000230768_100000183381 [0,1,0,0,0,0|2,0,1]=4 5184 B12R0.239 CCNC(=O)CN(C)CCCCF 2230a_100000741943_100000729493 [0,1,0,0,0,0|3,0,0]=4 5185 B12R0.239 CCNC(=O)CN(C)CCCCF 269982a_100000741943_100000729493 [0,1,0,0,0,0|3,0,0]=4 5186 B12R0.239 CCNC(=O)CN(C)CCCCO 2230a_100000717598_100000183381 [0,1,0,0,0,0|3,0,0]=4 5187 B12R0.239 CCNC(=O)CN(C)CCCCO 2230a_100000741943_100000210776 [0,1,0,0,0,0|3,0,0]=4 5188 B12R0.239 CCNC(=O)CN(C)CCCCO 269982a_100000717598_100000183381 [0,1,0,0,0,0|3,0,0]=4 5189 B12R0.239 CCNC(=O)CN(C)CCCCO 269982a_100000741943_100000210776 [0,1,0,0,0,0|3,0,0]=4 5190 B12R0.239 CCNC(=O)CN(C)CCCOC 2230a_100000224831_100000183381 [0,1,0,0,0,0|3,0,0]=4 5191 B12R0.239 CCNC(=O)CN(C)CCCOC 2230a_100000741943_100000740836 [0,1,0,0,0,0|3,0,0]=4 5192 B12R0.239 CCNC(=O)CN(C)CCCOC 269982a_100000224831_100000183381 [0,1,0,0,0,0|3,0,0]=4 5193 B12R0.239 CCNC(=O)CN(C)CCCOC 269982a_100000741943_100000740836 [0,1,0,0,0,0|3,0,0]=4 5194 B12R0.239 CCNC(=O)CN(C)CCOCC 2230a_100000741943_100011215890 [0,1,0,0,0,0|3,0,0]=4 5195 B12R0.239 CCNC(=O)CN(C)CCOCC 269982a_100000741943_100011215890 [0,1,0,0,0,0|3,0,0]=4 5196 B12R0.239 CCNC(=O)CN(C)CCSCC 2230a_100000741943_100000757381 [0,1,0,0,0,0|3,0,0]=4 5197 B12R0.239 CCNC(=O)CN(C)CCSCC 269982a_100000741943_100000757381 [0,1,0,0,0,0|3,0,0]=4 5198 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000075515_100000188475 [0,1,0,0,0,0|1,0,2]=4 5199 B12R0.239 CCOC(=O)CC(=O)CCCC#N 1458a_100000243816_100000211468 [0,1,0,0,0,0|1,0,2]=4 5200 B12R0.239 CCOC(=O)CC(=O)CCCCF 1458a_100000243816_100000729493 [0,1,0,0,0,0|1,0,1]=3 5201 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000243816_100000210776 [0,1,0,0,0,0|1,0,1]=3 5202 B12R0.239 CCOC(=O)CC(=O)CCCCO 1458a_100000695505_100000188475 [0,1,0,0,0,0|1,0,1]=3 5203 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000243816_100000740836 [0,1,0,0,0,0|1,0,1]=3 5204 B12R0.239 CCOC(=O)CC(=O)CCCOC 1458a_100000741012_100000188475 [0,1,0,0,0,0|1,0,1]=3 5205 B12R0.239 CCOC(=O)CC(=O)CCCSC 1458a_100000173376_100000188475 [0,1,0,0,0,0|1,0,1]=3 5206 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000230768_100000188475 [0,1,0,0,0,0|1,0,1]=3 5207 B12R0.239 CCOC(=O)CC(=O)CCSCC 1458a_100000243816_100000757381 [0,1,0,0,0,0|1,0,1]=3 5208 B12R0.239 CCOC(=O)CC(=O)COCCO 1458a_100000708028_100000188475 [0,1,0,0,0,0|2,0,1]=4 5209 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100000210311_100011217306 [0,1,0,0,0,0|2,0,1]=4 5210 B12R0.239 CCOC(=O)CC(=O)CSCCF 62a_100011217306_100000210311 [0,1,0,0,0,0|2,0,1]=4 5211 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000210311_100000211926 [0,1,0,0,0,0|2,0,1]=4 5212 B12R0.239 CCOC(=O)CC(=O)CSCCO 62a_100000211926_100000210311 [0,1,0,0,0,0|2,0,1]=4 5213 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000210311_100000766300 [0,1,0,0,0,0|2,0,1]=4 5214 B12R0.239 CCOC(=O)CC(=O)CSCOC 62a_100000766300_100000210311 [0,1,0,0,0,0|2,0,1]=4 5215 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100000210311_100011218213 [0,1,0,0,0,0|2,0,1]=4 5216 B12R0.239 CCOC(=O)CC(=O)CSCSC 62a_100011218213_100000210311 [0,1,0,0,0,0|2,0,1]=4 5217 B12R0.239 CCOC(=O)CC(=O)NCCCF 240690a_100015189416_100000243816 [0,1,0,0,0,0|2,0,1]=4 5218 B12R0.239 CCOC(=O)CC(=O)NCCCO 240690a_100000182051_100000243816 [0,1,0,0,0,0|2,0,1]=4 5219 B12R0.239 CCOC(=O)CC(=O)NCCOC 240690a_100000209980_100000243816 [0,1,0,0,0,0|2,0,1]=4 5220 B12R0.239 CCOC(=O)CC(=O)NCCSC 240690a_100020590264_100000243816 [0,1,0,0,0,0|2,0,1]=4 5221 B12R0.239 CCOC(=O)CC(C)NCCCF 2230a_100015189416_100009817359 [0,1,0,0,0,0|2,0,0]=3 5222 B12R0.239 CCOC(=O)CC(C)NCCOC 2230a_100000209980_100009817359 [0,1,0,0,0,0|2,0,0]=3 5223 B12R0.239 CCOC(=O)CC(C)NCCSC 2230a_100020590264_100009817359 [0,1,0,0,0,0|2,0,0]=3 5224 B12R0.239 CCOC(=O)CC(C)OCCSC 7a_100000230434_100009817359 [0,1,0,0,0,0|2,0,0]=3 5225 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100009817359_100011215226 [0,1,0,0,0,0|2,0,1]=4 5226 B12R0.239 CCOC(=O)CC(C)SCCC#N 62a_100011215226_100009817359 [0,1,0,0,0,0|2,0,1]=4 5227 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100009817359_100011934791 [0,1,0,0,0,0|2,0,0]=3 5228 B12R0.239 CCOC(=O)CC(C)SCCCF 62a_100011934791_100009817359 [0,1,0,0,0,0|2,0,0]=3 5229 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100009817359_100011215043 [0,1,0,0,0,0|2,0,0]=3 5230 B12R0.239 CCOC(=O)CC(C)SCCCO 62a_100011215043_100009817359 [0,1,0,0,0,0|2,0,0]=3 5231 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100000233755_100009817359 [0,1,0,0,0,0|2,0,0]=3 5232 B12R0.239 CCOC(=O)CC(C)SCCOC 62a_100009817359_100000233755 [0,1,0,0,0,0|2,0,0]=3 5233 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100000212216_100009817359 [0,1,0,0,0,0|2,0,0]=3 5234 B12R0.239 CCOC(=O)CC(C)SCCSC 62a_100009817359_100000751147 [0,1,0,0,0,0|2,0,0]=3 5235 B12R0.239 CCOC(=O)CN(C)CCCC#N 2230a_100000220588_100000687738 [0,1,0,0,0,0|2,0,1]=4 5236 B12R0.239 CCOC(=O)CN(C)CCCC=O 2230a_100000220588_200011292268 [0,1,0,0,0,0|2,0,1]=4 5237 B12R0.239 CCOC(=O)CN(C)CCCCF 2230a_100000220588_100000729493 [0,1,0,0,0,0|2,0,0]=3 5238 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000220588_100000210776 [0,1,0,0,0,0|2,0,0]=3 5239 B12R0.239 CCOC(=O)CN(C)CCCCO 2230a_100000717598_100000188475 [0,1,0,0,0,0|2,0,0]=3 5240 B12R0.239 CCOC(=O)CN(C)CCCCO 269982a_100000717598_100000188475 [0,1,0,0,0,0|2,0,0]=3 5241 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000220588_100000740836 [0,1,0,0,0,0|2,0,0]=3 5242 B12R0.239 CCOC(=O)CN(C)CCCOC 2230a_100000224831_100000188475 [0,1,0,0,0,0|2,0,0]=3 5243 B12R0.239 CCOC(=O)CN(C)CCCOC 269982a_100000224831_100000188475 [0,1,0,0,0,0|2,0,0]=3 5244 B12R0.239 CCOC(=O)CN(C)CCSCC 2230a_100000220588_100000757381 [0,1,0,0,0,0|2,0,0]=3 5245 B12R0.239 CCOC(=O)C[C@@H](C)OCCC#N 7a_100009816390_100000184422 [0,1,0,0,0,0|2,0,1]=4 5246 B12R0.239 CCOC(=O)C[C@@H](C)OCCCF 7a_100009816390_100011934791 [0,1,0,0,0,0|2,0,0]=3 5247 B12R0.239 CCOC(=O)C[C@@H](C)OCCCO 7a_100009816390_100011215043 [0,1,0,0,0,0|2,0,0]=3 5248 B12R0.239 CCOC(=O)C[C@@H](C)OCCOC 7a_100009816390_100000233755 [0,1,0,0,0,0|2,0,0]=3 5249 B12R0.239 CCOC(=O)C[C@@H](C)OCCSC 7a_100009816390_100000212216 [0,1,0,0,0,0|2,0,0]=3 5250 B12R0.239 CCOC(=O)C[C@H](O)CNCCF 34a_100000724931_100000688340 [0,1,0,0,0,0|2,0,0]=3 5251 B12R0.239 CCOC(=O)C[C@H](O)CNCCO 34a_100016990907_100000688340 [0,1,0,0,0,0|2,0,0]=3 5252 B12R0.239 CCOC(=O)C[C@H](O)COCCBr 34a_100000211926_100000688340 [0,1,0,0,0,0|2,0,0]=3 5253 B12R0.239 CCOC(=O)C[C@H](O)COCCN 34a_100000210304_100000688340 [0,1,0,0,0,0|2,0,0]=3 5254 B12R0.239 CCOC(=O)C[C@H](O)CSCC#N 62a_100000688340_100011215382 [0,1,0,0,0,0|2,0,1]=4 5255 B12R0.239 CCOC(=O)C[C@H](O)CSCC#N 62a_100011215382_100000688340 [0,1,0,0,0,0|2,0,1]=4 5256 B12R0.239 CCOC(=O)C[C@H](O)CSCC=O 62a_100000688340_200015260668 [0,1,0,0,0,0|2,0,1]=4 5257 B12R0.239 CCOC(=O)C[C@H](O)CSCC=O 62a_200015260668_100000688340 [0,1,0,0,0,0|2,0,1]=4 5258 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100000688340_100011217306 [0,1,0,0,0,0|2,0,0]=3 5259 B12R0.239 CCOC(=O)C[C@H](O)CSCCF 62a_100011217306_100000688340 [0,1,0,0,0,0|2,0,0]=3 5260 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000211926_100000688340 [0,1,0,0,0,0|2,0,0]=3 5261 B12R0.239 CCOC(=O)C[C@H](O)CSCCO 62a_100000688340_100000211926 [0,1,0,0,0,0|2,0,0]=3 5262 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000688340_100000766300 [0,1,0,0,0,0|2,0,0]=3 5263 B12R0.239 CCOC(=O)C[C@H](O)CSCOC 62a_100000766300_100000688340 [0,1,0,0,0,0|2,0,0]=3 5264 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100000688340_100011218213 [0,1,0,0,0,0|2,0,0]=3 5265 B12R0.239 CCOC(=O)C[C@H](O)CSCSC 62a_100011218213_100000688340 [0,1,0,0,0,0|2,0,0]=3 5266 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100000036008_100011934791 [0,1,0,0,0,0|3,0,0]=4 5267 B12R0.239 CCOC(=O)OC(C)SCCCF 62a_100011934791_100000036008 [0,1,0,0,0,0|3,0,0]=4 5268 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100000036008_100011215043 [0,1,0,0,0,0|3,0,0]=4 5269 B12R0.239 CCOC(=O)OC(C)SCCCO 62a_100011215043_100000036008 [0,1,0,0,0,0|3,0,0]=4 5270 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000036008_100000233755 [0,1,0,0,0,0|3,0,0]=4 5271 B12R0.239 CCOC(=O)OC(C)SCCOC 62a_100000233755_100000036008 [0,1,0,0,0,0|3,0,0]=4 5272 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000036008_100000751147 [0,1,0,0,0,0|3,0,0]=4 5273 B12R0.239 CCOC(=O)OC(C)SCCSC 62a_100000212216_100000036008 [0,1,0,0,0,0|3,0,0]=4 5274 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215890 [0,1,0,0,0,0|1,0,1]=3 5275 B12R0.239 CCOCCC(=O)CC(=O)OCC 1458a_100000749530_100000188475 [0,1,0,0,0,0|1,0,1]=3 5276 B12R0.239 CCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215890 [0,1,0,0,0,0|2,0,0]=3 5277 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100000739092_100009817359 [0,1,0,0,0,0|2,0,0]=3 5278 B12R0.239 CCOCSC(C)CC(=O)OCC 62a_100009817359_100000739092 [0,1,0,0,0,0|2,0,0]=3 5279 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000036008_100000739092 [0,1,0,0,0,0|3,0,0]=4 5280 B12R0.239 CCOCSC(C)OC(=O)OCC 62a_100000739092_100000036008 [0,1,0,0,0,0|3,0,0]=4 5281 B12R0.276 C#CC(=O)CCCCC(=O)OCC 1458a_100000211873_100000750268 [0,1,0,0,0,0|0,0,3]=4 5282 B12R0.276 C#CC(C)NCCCC(=O)OCC 2230a_100000707721_100009991533 [0,1,0,0,0,0|1,0,2]=4 5283 B12R0.276 C#CC(C)NCCCC(=O)OCC 34a_100000707721_100009991533 [0,1,0,0,0,0|1,0,2]=4 5284 B12R0.276 C#CC(C)SCCCC(=O)OCC 62a_200000035995_100009991533 [0,1,0,0,0,0|1,0,2]=4 5285 B12R0.276 C#C[C@@H](C)OCCCC(=O)OCC 34a_100009815206_100009991533 [0,1,0,0,0,0|1,0,2]=4 5286 B12R0.276 C#C[C@@H](C)OCCCC(=O)OCC 7a_100009815206_100011215271 [0,1,0,0,0,0|1,0,2]=4 5287 B12R0.276 C=CC(=O)CCCCC(=O)OCC 1458a_100000185746_100000750268 [0,1,0,0,0,0|0,0,3]=4 5288 B12R0.276 C=CC(C)COCCC(=O)OCC 34a_100011215527_100000765890 [0,1,0,0,0,0|1,0,2]=4 5289 B12R0.276 C=CC(C)COCCC(=O)OCC 7a_100011215527_100011206558 [0,1,0,0,0,0|1,0,2]=4 5290 B12R0.276 C=CC(C)OCCCC(=O)OCC 34a_100000695699_100009991533 [0,1,0,0,0,0|1,0,2]=4 5291 B12R0.276 C=CC(C)SCCCC(=O)OCC 62a_100011215867_100009991533 [0,1,0,0,0,0|1,0,2]=4 5292 B12R0.276 C=CC(O)CSCCC(=O)OCC 62a_100000730141_100000765890 [0,1,0,0,0,0|1,0,2]=4 5293 B12R0.276 C=CC(O)CSCCC(=O)OCC 62a_100000765890_100000730141 [0,1,0,0,0,0|1,0,2]=4 5294 B12R0.276 C=COC(=O)CNCCC(C)CC 2230a_100020591266_100000036128 [0,1,0,0,0,0|1,0,2]=4 5295 B12R0.276 C=C[C@H](N)COCCC(=O)OCC 34a_100016989147_100000765890 [0,1,0,0,0,0|1,0,2]=4 5296 B12R0.276 CCC(C)CCNCC(=O)NCO 2230a_100020591266_100000185155 [0,1,0,0,0,0|3,0,0]=4 5297 B12R0.276 CCC(C)CCOCC(=O)NCO 7a_100011215188_100000185155 [0,1,0,0,0,0|3,0,0]=4 5298 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000211992_100000204269 [0,1,0,0,0,0|2,0,1]=4 5299 B12R0.276 CCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210303 [0,1,0,0,0,0|2,0,1]=4 5300 B12R0.276 CCCC(=O)CNCCC(C)CC 2230a_100020591266_100000747444 [0,1,0,0,0,0|2,0,0]=3 5301 B12R0.276 CCCC(=O)CNCCC(C)CO 2230a_106354213184_100000747444 [0,1,0,0,0,0|3,0,0]=4 5302 B12R0.276 CCCC(=O)COCCC(C)CC 7a_100011215188_100000747444 [0,1,0,0,0,0|2,0,0]=3 5303 B12R0.276 CCCC(=O)COCCC(C)OC 7a_100000764861_100000747444 [0,1,0,0,0,0|3,0,0]=4 5304 B12R0.276 CCCC(=O)OCNCC(C)CC 2230a_100020588543_100000034017 [0,1,0,0,0,0|3,0,0]=4 5305 B12R0.276 CCCC(=O)OCNCC(O)CC 2230a_100011218483_100000034017 [0,1,0,0,0,0|3,0,0]=4 5306 B12R0.276 CCCC(=O)OCSCC(C)CC 62a_100000748023_100000034017 [0,1,0,0,0,0|3,0,0]=4 5307 B12R0.276 CCCC(=O)OCSCC(O)CC 62a_100011218378_100000034017 [0,1,0,0,0,0|3,0,0]=4 5308 B12R0.276 CCCC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000034017 [0,1,0,0,0,0|3,0,0]=4 5309 B12R0.276 CCNC(=O)CCCCC(=O)OC 11a_100015525214_100000695723 [0,1,0,0,0,0|2,0,1]=4 5310 B12R0.276 CCNC(=O)CCCCC(=O)OC 240690a_100015525214_100000695723 [0,1,0,0,0,0|2,0,1]=4 5311 B12R0.276 CCNC(=O)CCCCC(=O)OC 527a_100015525214_100000695723 [0,1,0,0,0,0|2,0,1]=4 5312 B12R0.276 CCNC(=O)CCNCC(C)CC 2230a_100020588543_100000737597 [0,1,0,0,0,0|2,0,0]=3 5313 B12R0.276 CCNC(=O)CCNCC(C)CC 270004a_100025743525_100000243153 [0,1,0,0,0,0|2,0,0]=3 5314 B12R0.276 CCNC(=O)CCNCC(C)CC 34a_100025743525_100000748023 [0,1,0,0,0,0|2,0,0]=3 5315 B12R0.276 CCNC(=O)CCNCC(O)CC 2230a_100011218483_100000737597 [0,1,0,0,0,0|2,0,0]=3 5316 B12R0.276 CCNC(=O)CCNCC(O)CC 34a_100025743525_100011218378 [0,1,0,0,0,0|2,0,0]=3 5317 B12R0.276 CCNC(=O)CCNCC(O)CO 34a_100025743525_100011219619 [0,1,0,0,0,0|3,0,0]=4 5318 B12R0.276 CCNC(=O)CCNC[C@@H](C)CC 34a_100025743525_100009816398 [0,1,0,0,0,0|2,0,0]=3 5319 B12R0.276 CCNC(=O)CCNC[C@@H](C)CO 34a_100025743525_100000059175 [0,1,0,0,0,0|3,0,0]=4 5320 B12R0.276 CCNC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000737597 [0,1,0,0,0,0|3,0,0]=4 5321 B12R0.276 CCNC(=O)CCNC[C@@H](O)CF 34a_100025743525_100015614560 [0,1,0,0,0,0|3,0,0]=4 5322 B12R0.276 CCNC(=O)CCNC[C@@H](O)CO 34a_100025743525_100009815848 [0,1,0,0,0,0|3,0,0]=4 5323 B12R0.276 CCNC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000737597 [0,1,0,0,0,0|3,0,0]=4 5324 B12R0.276 CCNC(=O)CCOC[C@@H](C)CC 7a_100009816381_100000737597 [0,1,0,0,0,0|2,0,0]=3 5325 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000737597_100000747405 [0,1,0,0,0,0|2,0,1]=4 5326 B12R0.276 CCNC(=O)CCSCC(=O)CC 62a_100000747405_100000737597 [0,1,0,0,0,0|2,0,1]=4 5327 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000737597_100000748023 [0,1,0,0,0,0|2,0,0]=3 5328 B12R0.276 CCNC(=O)CCSCC(C)CC 62a_100000748023_100000737597 [0,1,0,0,0,0|2,0,0]=3 5329 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100000737597_100011218378 [0,1,0,0,0,0|2,0,0]=3 5330 B12R0.276 CCNC(=O)CCSCC(O)CC 62a_100011218378_100000737597 [0,1,0,0,0,0|2,0,0]=3 5331 B12R0.276 CCNC(=O)CCSCC(O)CO 62a_100000737597_100011219619 [0,1,0,0,0,0|3,0,0]=4 5332 B12R0.276 CCNC(=O)CCSCC(O)CO 62a_100011219619_100000737597 [0,1,0,0,0,0|3,0,0]=4 5333 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100000737597_100009816398 [0,1,0,0,0,0|2,0,0]=3 5334 B12R0.276 CCNC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000737597 [0,1,0,0,0,0|2,0,0]=3 5335 B12R0.276 CCNC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000737597 [0,1,0,0,0,0|3,0,0]=4 5336 B12R0.276 CCNC(=O)CCSC[C@@H](C)CO 62a_100000737597_100000059175 [0,1,0,0,0,0|3,0,0]=4 5337 B12R0.276 CCNC(=O)CCSC[C@@H](O)CF 62a_100000737597_100015614560 [0,1,0,0,0,0|3,0,0]=4 5338 B12R0.276 CCNC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000737597 [0,1,0,0,0,0|3,0,0]=4 5339 B12R0.276 CCNC(=O)CCSC[C@@H](O)CO 62a_100000737597_100009815848 [0,1,0,0,0,0|3,0,0]=4 5340 B12R0.276 CCNC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000737597 [0,1,0,0,0,0|3,0,0]=4 5341 B12R0.276 CCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183381 [0,1,0,0,0,0|2,0,0]=3 5342 B12R0.276 CCNC(=O)CNCCC(C)CO 2230a_106354213184_100000183381 [0,1,0,0,0,0|3,0,0]=4 5343 B12R0.276 CCNC(=O)CNCCC(C)CO 34a_106354213184_100000183381 [0,1,0,0,0,0|3,0,0]=4 5344 B12R0.276 CCNC(=O)COCCC(C)CC 7a_100011215188_100000183381 [0,1,0,0,0,0|2,0,0]=3 5345 B12R0.276 CCNC(=O)COCCC(C)OC 7a_100000764861_100000183381 [0,1,0,0,0,0|3,0,0]=4 5346 B12R0.276 CCOC(=O)/C=C/CNC(C)CC 2230a_100000209981_100016267167 [0,1,0,0,0,0|1,0,2]=4 5347 B12R0.276 CCOC(=O)/C=C/COC(C)CC 7a_100000210228_100016267167 [0,1,0,0,0,0|1,0,2]=4 5348 B12R0.276 CCOC(=O)/C=C/CSC(C)CC 62a_100000758301_100016267167 [0,1,0,0,0,0|1,0,2]=4 5349 B12R0.276 CCOC(=O)/C=C/CSC(C)CC 62a_100016267167_100000758301 [0,1,0,0,0,0|1,0,2]=4 5350 B12R0.276 CCOC(=O)C=NNCC(O)CC 4a_100015206393_100000742314 [0,1,0,0,0,0|2,0,1]=4 5351 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100000210414_100000750268 [0,1,0,0,0,0|0,0,1]=2 5352 B12R0.276 CCOC(=O)CCCCC(=O)CC 1458a_100011217402_100000210202 [0,1,0,0,0,0|0,0,1]=2 5353 B12R0.276 CCOC(=O)CCCCC(=O)CF 1458a_100011217402_100015361967 [0,1,0,0,0,0|1,0,1]=3 5354 B12R0.276 CCOC(=O)CCCCC(=O)CO 1458a_100000210174_100000750268 [0,1,0,0,0,0|1,0,1]=3 5355 B12R0.276 CCOC(=O)CCCCC(=O)NC 11a_106832991635_100011217402 [0,1,0,0,0,0|1,0,1]=3 5356 B12R0.276 CCOC(=O)CCCCC(=O)NC 1626a_100102657272_100011217402 [0,1,0,0,0,0|1,0,1]=3 5357 B12R0.276 CCOC(=O)CCCCC(=O)NC 240690a_100102657272_100011217402 [0,1,0,0,0,0|1,0,1]=3 5358 B12R0.276 CCOC(=O)CCCCC(=O)NC 527a_100102657272_100011217402 [0,1,0,0,0,0|1,0,1]=3 5359 B12R0.276 CCOC(=O)CCCCN(C)CC 2230a_100000225621_100000750268 [0,1,0,0,0,0|1,0,0]=2 5360 B12R0.276 CCOC(=O)CCCCN(C)CC 269982a_100000225621_100000750268 [0,1,0,0,0,0|1,0,0]=2 5361 B12R0.276 CCOC(=O)CCCNC(=O)CC 188690a_100000211256_100000210414 [0,1,0,0,0,0|1,0,1]=3 5362 B12R0.276 CCOC(=O)CCCNC(=O)CO 188690a_100000211256_100000210174 [0,1,0,0,0,0|2,0,1]=4 5363 B12R0.276 CCOC(=O)CCCNC(C)C#N 2230a_100000737613_100009991533 [0,1,0,0,0,0|2,0,1]=4 5364 B12R0.276 CCOC(=O)CCCNC(C)CC 2230a_100000209981_100009991533 [0,1,0,0,0,0|1,0,0]=2 5365 B12R0.276 CCOC(=O)CCCN[C@H](C)CO 2230a_100000737577_100009991533 [0,1,0,0,0,0|2,0,0]=3 5366 B12R0.276 CCOC(=O)CCCOC(C)C#N 34a_100011218135_100009991533 [0,1,0,0,0,0|2,0,1]=4 5367 B12R0.276 CCOC(=O)CCCOC(C)C#N 7a_100012001163_100000703298 [0,1,0,0,0,0|2,0,1]=4 5368 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100000210228_100011215271 [0,1,0,0,0,0|1,0,0]=2 5369 B12R0.276 CCOC(=O)CCCOC(C)CC 7a_100012001163_100000758301 [0,1,0,0,0,0|1,0,0]=2 5370 B12R0.276 CCOC(=O)CCCOC(C)CF 34a_100016041109_100009991533 [0,1,0,0,0,0|2,0,0]=3 5371 B12R0.276 CCOC(=O)CCCOC(C)CF 7a_100016041109_100011215271 [0,1,0,0,0,0|2,0,0]=3 5372 B12R0.276 CCOC(=O)CCCOC(C)CN 34a_100000210904_100009991533 [0,1,0,0,0,0|2,0,0]=3 5373 B12R0.276 CCOC(=O)CCCOC(C)CO 7a_100012001163_100012180447 [0,1,0,0,0,0|2,0,0]=3 5374 B12R0.276 CCOC(=O)CCCSC(C)C#N 62a_100000703298_100009991533 [0,1,0,0,0,0|2,0,1]=4 5375 B12R0.276 CCOC(=O)CCCSC(C)C#N 62a_100009991533_100000703298 [0,1,0,0,0,0|2,0,1]=4 5376 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100000758301_100009991533 [0,1,0,0,0,0|1,0,0]=2 5377 B12R0.276 CCOC(=O)CCCSC(C)CC 62a_100009991533_100000758301 [0,1,0,0,0,0|1,0,0]=2 5378 B12R0.276 CCOC(=O)CCCSC(C)CO 62a_100012180447_100009991533 [0,1,0,0,0,0|2,0,0]=3 5379 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009879195_100009991533 [0,1,0,0,0,0|2,0,0]=3 5380 B12R0.276 CCOC(=O)CCCSC(C)OC 62a_100009991533_100009879195 [0,1,0,0,0,0|2,0,0]=3 5381 B12R0.276 CCOC(=O)CCCSC(F)C#N 62a_100009991533_200000117898 [0,1,0,0,0,0|2,0,1]=4 5382 B12R0.276 CCOC(=O)CCCSC(F)C#N 62a_200000117898_100009991533 [0,1,0,0,0,0|2,0,1]=4 5383 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100009991533_100016084084 [0,1,0,0,0,0|2,0,0]=3 5384 B12R0.276 CCOC(=O)CCCS[C@H](C)CO 62a_100016084084_100009991533 [0,1,0,0,0,0|2,0,0]=3 5385 B12R0.276 CCOC(=O)CCNCC(=O)NC 2230a_100000693194_100011206558 [0,1,0,0,0,0|2,0,1]=4 5386 B12R0.276 CCOC(=O)CCNCC(C)CC 2230a_100020588543_100011206558 [0,1,0,0,0,0|1,0,0]=2 5387 B12R0.276 CCOC(=O)CCNCC(C)CO 34a_100000744482_100000765890 [0,1,0,0,0,0|2,0,0]=3 5388 B12R0.276 CCOC(=O)CCNCC(O)CC 2230a_100011218483_100011206558 [0,1,0,0,0,0|1,0,0]=2 5389 B12R0.276 CCOC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100011206558 [0,1,0,0,0,0|2,0,0]=3 5390 B12R0.276 CCOC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000765890 [0,1,0,0,0,0|2,0,0]=3 5391 B12R0.276 CCOC(=O)CCNC[C@H](O)CO 2230a_100020644852_100011206558 [0,1,0,0,0,0|2,0,0]=3 5392 B12R0.276 CCOC(=O)CCOCC(=O)CC 34a_100000725409_100000765890 [0,1,0,0,0,0|1,0,1]=3 5393 B12R0.276 CCOC(=O)CCOCC(=O)NC 34a_100000750040_100000765890 [0,1,0,0,0,0|2,0,1]=4 5394 B12R0.276 CCOC(=O)CCOCC(C)CN 34a_100000744482_100000765890 [0,1,0,0,0,0|2,0,0]=3 5395 B12R0.276 CCOC(=O)CCOCC(C)OC 34a_100000690652_100000765890 [0,1,0,0,0,0|2,0,0]=3 5396 B12R0.276 CCOC(=O)CCOCC(Cl)CCl 34a_100000033668_100000765890 [0,1,0,0,0,0|2,0,0]=3 5397 B12R0.276 CCOC(=O)CCOC[C@@H](C)CC 7a_100009816381_100011206558 [0,1,0,0,0,0|1,0,0]=2 5398 B12R0.276 CCOC(=O)CCOC[C@H](F)CN 34a_100015665980_100000765890 [0,1,0,0,0,0|2,0,0]=3 5399 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000747405_100000765890 [0,1,0,0,0,0|1,0,1]=3 5400 B12R0.276 CCOC(=O)CCSCC(=O)CC 62a_100000765890_100000747405 [0,1,0,0,0,0|1,0,1]=3 5401 B12R0.276 CCOC(=O)CCSCC(=O)NC 62a_100000183359_100000765890 [0,1,0,0,0,0|2,0,1]=4 5402 B12R0.276 CCOC(=O)CCSCC(=O)NC 62a_100000765890_100000183359 [0,1,0,0,0,0|2,0,1]=4 5403 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000747449_100000765890 [0,1,0,0,0,0|2,0,1]=4 5404 B12R0.276 CCOC(=O)CCSCC(=O)OC 62a_100000765890_100000747449 [0,1,0,0,0,0|2,0,1]=4 5405 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000748023_100000765890 [0,1,0,0,0,0|1,0,0]=2 5406 B12R0.276 CCOC(=O)CCSCC(C)CC 62a_100000765890_100000748023 [0,1,0,0,0,0|1,0,0]=2 5407 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100000765890_100011218378 [0,1,0,0,0,0|1,0,0]=2 5408 B12R0.276 CCOC(=O)CCSCC(O)CC 62a_100011218378_100000765890 [0,1,0,0,0,0|1,0,0]=2 5409 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100000765890_100011219619 [0,1,0,0,0,0|2,0,0]=3 5410 B12R0.276 CCOC(=O)CCSCC(O)CO 62a_100011219619_100000765890 [0,1,0,0,0,0|2,0,0]=3 5411 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100000765890_100009816398 [0,1,0,0,0,0|1,0,0]=2 5412 B12R0.276 CCOC(=O)CCSC[C@@H](C)CC 62a_100009816398_100000765890 [0,1,0,0,0,0|1,0,0]=2 5413 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000765890 [0,1,0,0,0,0|2,0,0]=3 5414 B12R0.276 CCOC(=O)CCSC[C@@H](C)CO 62a_100000765890_100000059175 [0,1,0,0,0,0|2,0,0]=3 5415 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100000765890_100015614560 [0,1,0,0,0,0|2,0,0]=3 5416 B12R0.276 CCOC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000765890 [0,1,0,0,0,0|2,0,0]=3 5417 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100000765890_100009815848 [0,1,0,0,0,0|2,0,0]=3 5418 B12R0.276 CCOC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000765890 [0,1,0,0,0,0|2,0,0]=3 5419 B12R0.276 CCOC(=O)CNCCC(=O)NC 2230a_100000738227_100000188475 [0,1,0,0,0,0|2,0,1]=4 5420 B12R0.276 CCOC(=O)CNCCC(=O)NC 34a_100000738227_100000188475 [0,1,0,0,0,0|2,0,1]=4 5421 B12R0.276 CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000188475 [0,1,0,0,0,0|1,0,0]=2 5422 B12R0.276 CCOC(=O)CNCCC(C)CO 2230a_106354213184_100000188475 [0,1,0,0,0,0|2,0,0]=3 5423 B12R0.276 CCOC(=O)CNCCC(C)CO 34a_106354213184_100000188475 [0,1,0,0,0,0|2,0,0]=3 5424 B12R0.276 CCOC(=O)COCCC(=O)CC 1458a_100000210414_100000088970 [0,1,0,0,0,0|1,0,1]=3 5425 B12R0.276 CCOC(=O)COCCC(=O)CO 1458a_100000210174_100000088970 [0,1,0,0,0,0|2,0,1]=4 5426 B12R0.276 CCOC(=O)COCCC(=O)NC 34a_100000754576_100000188475 [0,1,0,0,0,0|2,0,1]=4 5427 B12R0.276 CCOC(=O)COCCC(C)CC 7a_100011215188_100000188475 [0,1,0,0,0,0|1,0,0]=2 5428 B12R0.276 CCOC(=O)COCCC(C)OC 7a_100000764861_100000188475 [0,1,0,0,0,0|2,0,0]=3 5429 B12R0.276 CCOC(=O)COCCN(C)CC 2230a_100000225621_100000088970 [0,1,0,0,0,0|2,0,0]=3 5430 B12R0.276 CCOC(=O)COCCN(C)CC 269982a_100000225621_100000088970 [0,1,0,0,0,0|2,0,0]=3 5431 B12R0.276 CCOC(=O)CSCCC(=O)NC 62a_100000188475_100000737683 [0,1,0,0,0,0|2,0,1]=4 5432 B12R0.276 CCOC(=O)CSCCC(=O)NC 62a_100000737683_100000188475 [0,1,0,0,0,0|2,0,1]=4 5433 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000188475_100000204255 [0,1,0,0,0,0|2,0,1]=4 5434 B12R0.276 CCOC(=O)CSCCC(=O)OC 62a_100000204255_100000188475 [0,1,0,0,0,0|2,0,1]=4 5435 B12R0.276 CCOC(=O)NCCOC(C)CC 34a_100000158857_100011215416 [0,1,0,0,0,0|2,0,0]=3 5436 B12R0.276 CCOC(=O)NCCOC(C)CC 7a_100000210228_200011445536 [0,1,0,0,0,0|2,0,0]=3 5437 B12R0.276 CCOC(=O)NCCOC(C)CF 7a_100016041109_200011445536 [0,1,0,0,0,0|3,0,0]=4 5438 B12R0.276 CCOC(=O)NCCOC(C)CO 34a_100000158857_100012180447 [0,1,0,0,0,0|3,0,0]=4 5439 B12R0.276 CCOC(=O)NCCSC(C)CC 62a_100000758301_200011445536 [0,1,0,0,0,0|2,0,0]=3 5440 B12R0.276 CCOC(=O)NCCSC(C)CO 62a_100012180447_200011445536 [0,1,0,0,0,0|3,0,0]=4 5441 B12R0.276 CCOC(=O)NCCSC(C)OC 62a_100009879195_200011445536 [0,1,0,0,0,0|3,0,0]=4 5442 B12R0.276 CCOC(=O)NCCS[C@H](C)CO 62a_100016084084_200011445536 [0,1,0,0,0,0|3,0,0]=4 5443 B12R0.276 CCOC(=O)OCSCC(=O)CC 62a_100000747405_100000075025 [0,1,0,0,0,0|2,0,1]=4 5444 B12R0.276 CCOC(=O)OCSCC(C)CC 62a_100000748023_100000075025 [0,1,0,0,0,0|2,0,0]=3 5445 B12R0.276 CCOC(=O)OCSCC(O)CC 62a_100011218378_100000075025 [0,1,0,0,0,0|2,0,0]=3 5446 B12R0.276 CCOC(=O)OCSCC(O)CO 62a_100011219619_100000075025 [0,1,0,0,0,0|3,0,0]=4 5447 B12R0.276 CCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_100000075025 [0,1,0,0,0,0|2,0,0]=3 5448 B12R0.276 CCOC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000075025 [0,1,0,0,0,0|3,0,0]=4 5449 B12R0.276 CCOC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000075025 [0,1,0,0,0,0|3,0,0]=4 5450 B12R0.276 CCOC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000075025 [0,1,0,0,0,0|3,0,0]=4 5451 B12R0.277 C#CCC(=O)CCCCCC(C)C 1458a_100000766313_100000184674 [0,1,0,0,0,0|1,0,2]=4 5452 B12R0.277 C#CCC(=O)CCCCCC(C)C 1458a_100011220946_100000210682 [0,1,0,0,0,0|1,0,2]=4 5453 B12R0.277 C=C(Br)CCOCCC(=O)OCC 34a_100009813270_100000765890 [0,1,0,0,0,0|1,0,2]=4 5454 B12R0.277 C=C(C)CCNCCC(=O)NCC 34a_100025743525_100000730704 [0,1,0,0,0,0|2,0,1]=4 5455 B12R0.277 C=C(C)CCOCCC(=O)OCC 34a_100000764851_100000765890 [0,1,0,0,0,0|1,0,1]=3 5456 B12R0.277 C=C(C)CCSCCC(=O)NCC 62a_100000730704_100000737597 [0,1,0,0,0,0|2,0,1]=4 5457 B12R0.277 C=C(C)CCSCCC(=O)NCC 62a_100000737597_100000730704 [0,1,0,0,0,0|2,0,1]=4 5458 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000730704_100000765890 [0,1,0,0,0,0|1,0,1]=3 5459 B12R0.277 C=C(C)CCSCCC(=O)OCC 62a_100000765890_100000730704 [0,1,0,0,0,0|1,0,1]=3 5460 B12R0.277 C=C(C)CCSCOC(=O)OCC 62a_100000730704_100000075025 [0,1,0,0,0,0|2,0,1]=4 5461 B12R0.277 C=C(C)COCCCC(=O)OCC 34a_100000210245_100009991533 [0,1,0,0,0,0|1,0,1]=3 5462 B12R0.277 C=C(C)COCCCC(=O)OCC 7a_100012001163_100000748629 [0,1,0,0,0,0|1,0,1]=3 5463 B12R0.277 C=C(C)COCCNC(=O)OCC 34a_100000158857_100000748629 [0,1,0,0,0,0|2,0,1]=4 5464 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100000748629_100009991533 [0,1,0,0,0,0|1,0,1]=3 5465 B12R0.277 C=C(C)CSCCCC(=O)OCC 62a_100009991533_100000211660 [0,1,0,0,0,0|1,0,1]=3 5466 B12R0.277 C=C(C)CSCCNC(=O)OCC 62a_100000748629_200011445536 [0,1,0,0,0,0|2,0,1]=4 5467 B12R0.277 C=C(F)COCCCC(=O)OCC 34a_200010262243_100009991533 [0,1,0,0,0,0|1,0,2]=4 5468 B12R0.277 C=C(F)COCCCC(=O)OCC 7a_100012001163_100000042424 [0,1,0,0,0,0|1,0,2]=4 5469 B12R0.277 C=C(F)CSCCCC(=O)OCC 62a_100000042424_100009991533 [0,1,0,0,0,0|1,0,2]=4 5470 B12R0.277 C=C(F)CSCCCC(=O)OCC 62a_100009991533_100000042424 [0,1,0,0,0,0|1,0,2]=4 5471 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000210193_100000210682 [0,1,0,0,0,0|1,0,2]=4 5472 B12R0.277 C=CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210623 [0,1,0,0,0,0|1,0,2]=4 5473 B12R0.277 C=COC(=O)CNCCCC(C)C 2230a_200000737386_100000036128 [0,1,0,0,0,0|1,0,2]=4 5474 B12R0.277 C=COC(=O)CNCCCC(C)C 34a_200000737386_100000036128 [0,1,0,0,0,0|1,0,2]=4 5475 B12R0.277 C=COC(=O)COCCCC(C)C 34a_100000210774_100000036128 [0,1,0,0,0,0|1,0,2]=4 5476 B12R0.277 C=COC(=O)CSCCCC(C)C 62a_100000036128_100011214892 [0,1,0,0,0,0|1,0,2]=4 5477 B12R0.277 C=COC(=O)CSCCCC(C)C 62a_100011214892_100000036128 [0,1,0,0,0,0|1,0,2]=4 5478 B12R0.277 C=COC(=O)CSCCCC(C)O 62a_100000036128_200000718107 [0,1,0,0,0,0|1,0,2]=4 5479 B12R0.277 C=COC(=O)CSCCCC(C)O 62a_200000718107_100000036128 [0,1,0,0,0,0|1,0,2]=4 5480 B12R0.277 CC#CC(=O)CCCCCC(C)C 1458a_100000763181_100000210682 [0,1,0,0,0,0|1,0,1]=3 5481 B12R0.277 CC(C)CCCCCC(=O)C=CBr 1458a_100016273825_100000210682 [0,1,0,0,0,0|2,0,1]=4 5482 B12R0.277 CC(C)CCCCCC(=O)C=CCl 1458a_200016279998_100000210682 [0,1,0,0,0,0|2,0,1]=4 5483 B12R0.277 CC(C)CCCCCC(=O)C=CI 1458a_100016256311_100000210682 [0,1,0,0,0,0|2,0,1]=4 5484 B12R0.277 CC(C)CCCCCC(=O)CC#N 1458a_100000766313_100011214920 [0,1,0,0,0,0|2,0,1]=4 5485 B12R0.277 CC(C)CCCCCC(=O)CC#N 1458a_100051588842_100000210682 [0,1,0,0,0,0|2,0,1]=4 5486 B12R0.277 CC(C)CCCCCC(=O)CCF 1458a_100000766313_100011217306 [0,1,0,0,0,0|2,0,0]=3 5487 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100000766313_100000211926 [0,1,0,0,0,0|2,0,0]=3 5488 B12R0.277 CC(C)CCCCCC(=O)CCO 1458a_100011216618_100000210682 [0,1,0,0,0,0|2,0,0]=3 5489 B12R0.277 CC(C)CCCNCC(=O)NCO 2230a_200000737386_100000185155 [0,1,0,0,0,0|3,0,0]=4 5490 B12R0.277 CC(C)CCCNCC(=O)NCO 34a_200000737386_100000185155 [0,1,0,0,0,0|3,0,0]=4 5491 B12R0.277 CC(C)CCCOCC(=O)NCO 34a_100000210774_100000185155 [0,1,0,0,0,0|3,0,0]=4 5492 B12R0.277 CC(C)CCCOCC(=O)NCO 7a_100000210774_100000185155 [0,1,0,0,0,0|3,0,0]=4 5493 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100000185155_100011214892 [0,1,0,0,0,0|3,0,0]=4 5494 B12R0.277 CC(C)CCCSCC(=O)NCO 62a_100011214892_100000185155 [0,1,0,0,0,0|3,0,0]=4 5495 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_100000185155_200000718107 [0,1,0,0,0,0|3,0,0]=4 5496 B12R0.277 CC(O)CCCSCC(=O)NCO 62a_200000718107_100000185155 [0,1,0,0,0,0|3,0,0]=4 5497 B12R0.277 CC=CC(=O)CCCCCC(C)C 1458a_100000210699_100000210682 [0,1,0,0,0,0|1,0,1]=3 5498 B12R0.277 CCCC(=O)CCCCCB(O)O 1458a_100000211992_200009817188 [0,1,0,0,0,0|3,0,0]=4 5499 B12R0.277 CCCC(=O)CCCCCC(=O)N 1458a_100000211992_100009817443 [0,1,0,0,0,0|2,0,1]=4 5500 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000211992_100000210682 [0,1,0,0,0,0|1,0,0]=2 5501 B12R0.277 CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210303 [0,1,0,0,0,0|1,0,0]=2 5502 B12R0.277 CCCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210303 [0,1,0,0,0,0|3,0,0]=4 5503 B12R0.277 CCCC(=O)CCCCOC(=O)C 1458a_100000211992_100000033659 [0,1,0,0,0,0|2,0,1]=4 5504 B12R0.277 CCCC(=O)CCCCSC(=O)C 1458a_100000211992_200010402107 [0,1,0,0,0,0|2,0,1]=4 5505 B12R0.277 CCCC(=O)CNCCCC(C)C 2230a_200000737386_100000747444 [0,1,0,0,0,0|2,0,0]=3 5506 B12R0.277 CCCC(=O)CNCCCS(=O)C 2230a_200000753449_100000747444 [0,1,0,0,0,0|3,0,0]=4 5507 B12R0.277 CCCC(=O)CNCCOC(C)C 2230a_100000701111_100000747444 [0,1,0,0,0,0|3,0,0]=4 5508 B12R0.277 CCCC(=O)CNCCSC(C)C 2230a_100000731138_100000747444 [0,1,0,0,0,0|3,0,0]=4 5509 B12R0.277 CCCC(=O)COCCCC(=O)C 7a_100000759063_100000747444 [0,1,0,0,0,0|2,0,1]=4 5510 B12R0.277 CCCC(=O)COCCCC(C)C 7a_100000210774_100000747444 [0,1,0,0,0,0|2,0,0]=3 5511 B12R0.277 CCCC(=O)COCCOC(C)C 7a_100000211219_100000747444 [0,1,0,0,0,0|3,0,0]=4 5512 B12R0.277 CCCC(=O)COCCSC(C)C 7a_200011212901_100000747444 [0,1,0,0,0,0|3,0,0]=4 5513 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100000747444_100011215641 [0,1,0,0,0,0|2,0,1]=4 5514 B12R0.277 CCCC(=O)CSCCCC(=O)C 62a_100011215641_100000747444 [0,1,0,0,0,0|2,0,1]=4 5515 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100000747444_100011214892 [0,1,0,0,0,0|2,0,0]=3 5516 B12R0.277 CCCC(=O)CSCCCC(C)C 62a_100011214892_100000747444 [0,1,0,0,0,0|2,0,0]=3 5517 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_100000747444_200000718107 [0,1,0,0,0,0|2,0,0]=3 5518 B12R0.277 CCCC(=O)CSCCCC(C)O 62a_200000718107_100000747444 [0,1,0,0,0,0|2,0,0]=3 5519 B12R0.277 CCCC(=O)CSCCCN(C)C 62a_100000747444_100000757444 [0,1,0,0,0,0|3,0,0]=4 5520 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000211751_100000747444 [0,1,0,0,0,0|3,0,0]=4 5521 B12R0.277 CCCC(=O)CSCCOC(C)C 62a_100000747444_100000211751 [0,1,0,0,0,0|3,0,0]=4 5522 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000730970_100000747444 [0,1,0,0,0,0|3,0,0]=4 5523 B12R0.277 CCCC(=O)CSCCSC(C)C 62a_100000747444_100000730970 [0,1,0,0,0,0|3,0,0]=4 5524 B12R0.277 CCCC(=O)NCCCCN(C)C 240690a_100025707445_100000211992 [0,1,0,0,0,0|3,0,0]=4 5525 B12R0.277 CCCC(=O)NCCCOC(C)C 11a_100000737246_100000211992 [0,1,0,0,0,0|3,0,0]=4 5526 B12R0.277 CCCC(=O)NCCCOC(C)C 1626a_100000737246_100000211992 [0,1,0,0,0,0|3,0,0]=4 5527 B12R0.277 CCCC(=O)NCCCOC(C)C 240690a_100000737246_100000211992 [0,1,0,0,0,0|3,0,0]=4 5528 B12R0.277 CCCC(=O)NCCCOC(C)C 527a_100000737246_100000211992 [0,1,0,0,0,0|3,0,0]=4 5529 B12R0.277 CCCC(=O)OCNCCC(C)O 2230a_200000755665_100000034017 [0,1,0,0,0,0|3,0,0]=4 5530 B12R0.277 CCCC(=O)OCOCCC(C)Br 34a_100009893172_100000034017 [0,1,0,0,0,0|3,0,0]=4 5531 B12R0.277 CCCC(=O)OCOCCC(C)C 34a_100000210254_100000034017 [0,1,0,0,0,0|3,0,0]=4 5532 B12R0.277 CCCC(=O)OCOCC[C@@H](C)N 34a_100000706166_100000034017 [0,1,0,0,0,0|3,0,0]=4 5533 B12R0.277 CCCC(=O)OCSCCC(C)C 62a_100000210312_100000034017 [0,1,0,0,0,0|3,0,0]=4 5534 B12R0.277 CCCC(=O)OCSCCC(C)O 62a_100012276601_100000034017 [0,1,0,0,0,0|3,0,0]=4 5535 B12R0.277 CCCN(C)CCCCCC(C)C 2230a_100000747261_100000210682 [0,1,0,0,0,0|3,0,0]=4 5536 B12R0.277 CCCN(C)CCCCCC(C)C 269982a_100000747261_100000210682 [0,1,0,0,0,0|3,0,0]=4 5537 B12R0.277 CCNC(=O)CCCCCC(C)C 11a_100015525214_100000766313 [0,1,0,0,0,0|1,0,0]=2 5538 B12R0.277 CCNC(=O)CCCCCC(C)C 240690a_100015525214_100000766313 [0,1,0,0,0,0|1,0,0]=2 5539 B12R0.277 CCNC(=O)CCCCCC(C)C 527a_100015525214_100000766313 [0,1,0,0,0,0|1,0,0]=2 5540 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 11a_100015525214_100000043470 [0,1,0,0,0,0|3,0,0]=4 5541 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 240690a_100015525214_100000043470 [0,1,0,0,0,0|3,0,0]=4 5542 B12R0.277 CCNC(=O)CCCCC[N+](=O)[O-] 527a_100015525214_100000043470 [0,1,0,0,0,0|3,0,0]=4 5543 B12R0.277 CCNC(=O)CCNCCC(C)C 269862a_100025743525_100000185833 [0,1,0,0,0,0|2,0,0]=3 5544 B12R0.277 CCNC(=O)CCNCCC(C)C 34a_100025743525_100000210312 [0,1,0,0,0,0|2,0,0]=3 5545 B12R0.277 CCNC(=O)CCNCCC(C)O 2230a_200000755665_100000737597 [0,1,0,0,0,0|2,0,0]=3 5546 B12R0.277 CCNC(=O)CCNCCC(C)O 34a_100025743525_100012276601 [0,1,0,0,0,0|2,0,0]=3 5547 B12R0.277 CCNC(=O)CCNCOC(C)C 34a_100025743525_100000709892 [0,1,0,0,0,0|3,0,0]=4 5548 B12R0.277 CCNC(=O)CCOCCC(=O)C 7a_100000759926_100000737597 [0,1,0,0,0,0|2,0,1]=4 5549 B12R0.277 CCNC(=O)CCOCCC(C)C 7a_100000210254_100000737597 [0,1,0,0,0,0|2,0,0]=3 5550 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000053229_100000737597 [0,1,0,0,0,0|2,0,1]=4 5551 B12R0.277 CCNC(=O)CCSCCC(=O)C 62a_100000737597_100000053229 [0,1,0,0,0,0|2,0,1]=4 5552 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000210312_100000737597 [0,1,0,0,0,0|2,0,0]=3 5553 B12R0.277 CCNC(=O)CCSCCC(C)C 62a_100000737597_100000210312 [0,1,0,0,0,0|2,0,0]=3 5554 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100000737597_100012276601 [0,1,0,0,0,0|2,0,0]=3 5555 B12R0.277 CCNC(=O)CCSCCC(C)O 62a_100012276601_100000737597 [0,1,0,0,0,0|2,0,0]=3 5556 B12R0.277 CCNC(=O)CCSCCN(C)C 62a_100000737597_100000755713 [0,1,0,0,0,0|3,0,0]=4 5557 B12R0.277 CCNC(=O)CCSCOC(C)C 62a_100000709892_100000737597 [0,1,0,0,0,0|3,0,0]=4 5558 B12R0.277 CCNC(=O)CCSCOC(C)C 62a_100000737597_100000709892 [0,1,0,0,0,0|3,0,0]=4 5559 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_100016988866_100011214892 [0,1,0,0,0,0|2,0,0]=3 5560 B12R0.277 CCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183381 [0,1,0,0,0,0|2,0,0]=3 5561 B12R0.277 CCNC(=O)CNCCCC(C)C 34a_200000737386_100000183381 [0,1,0,0,0,0|2,0,0]=3 5562 B12R0.277 CCNC(=O)CNCCCC(C)O 2230a_100016988866_200000718107 [0,1,0,0,0,0|2,0,0]=3 5563 B12R0.277 CCNC(=O)CNCCCS(=O)C 2230a_200000753449_100000183381 [0,1,0,0,0,0|3,0,0]=4 5564 B12R0.277 CCNC(=O)CNCCOC(C)C 2230a_100000701111_100000183381 [0,1,0,0,0,0|3,0,0]=4 5565 B12R0.277 CCNC(=O)CNCCOC(C)C 2230a_100016988866_100000211751 [0,1,0,0,0,0|3,0,0]=4 5566 B12R0.277 CCNC(=O)CNCCOC(C)C 34a_100000701111_100000183381 [0,1,0,0,0,0|3,0,0]=4 5567 B12R0.277 CCNC(=O)CNCCSC(C)C 2230a_100000731138_100000183381 [0,1,0,0,0,0|3,0,0]=4 5568 B12R0.277 CCNC(=O)CNCCSC(C)C 2230a_100016988866_100000730970 [0,1,0,0,0,0|3,0,0]=4 5569 B12R0.277 CCNC(=O)CNCCSC(C)C 34a_100000731138_100000183381 [0,1,0,0,0,0|3,0,0]=4 5570 B12R0.277 CCNC(=O)COCCCC(=O)C 34a_100000759063_100000183381 [0,1,0,0,0,0|2,0,1]=4 5571 B12R0.277 CCNC(=O)COCCCC(=O)C 7a_100000759063_100000183381 [0,1,0,0,0,0|2,0,1]=4 5572 B12R0.277 CCNC(=O)COCCCC(C)C 34a_100000210774_100000183381 [0,1,0,0,0,0|2,0,0]=3 5573 B12R0.277 CCNC(=O)COCCCC(C)C 7a_100000210774_100000183381 [0,1,0,0,0,0|2,0,0]=3 5574 B12R0.277 CCNC(=O)COCCNC(C)C 34a_100000224655_100000183381 [0,1,0,0,0,0|3,0,0]=4 5575 B12R0.277 CCNC(=O)COCCOC(C)C 34a_100000211219_100000183381 [0,1,0,0,0,0|3,0,0]=4 5576 B12R0.277 CCNC(=O)COCCOC(C)C 7a_100000211219_100000183381 [0,1,0,0,0,0|3,0,0]=4 5577 B12R0.277 CCNC(=O)COCCSC(C)C 34a_200011212901_100000183381 [0,1,0,0,0,0|3,0,0]=4 5578 B12R0.277 CCNC(=O)COCCSC(C)C 7a_200011212901_100000183381 [0,1,0,0,0,0|3,0,0]=4 5579 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100000183381_100011215641 [0,1,0,0,0,0|2,0,1]=4 5580 B12R0.277 CCNC(=O)CSCCCC(=O)C 62a_100011215641_100000183381 [0,1,0,0,0,0|2,0,1]=4 5581 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100000183381_100011214892 [0,1,0,0,0,0|2,0,0]=3 5582 B12R0.277 CCNC(=O)CSCCCC(C)C 62a_100011214892_100000183381 [0,1,0,0,0,0|2,0,0]=3 5583 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_100000183381_200000718107 [0,1,0,0,0,0|2,0,0]=3 5584 B12R0.277 CCNC(=O)CSCCCC(C)O 62a_200000718107_100000183381 [0,1,0,0,0,0|2,0,0]=3 5585 B12R0.277 CCNC(=O)CSCCCN(C)C 62a_100000183381_100000757444 [0,1,0,0,0,0|3,0,0]=4 5586 B12R0.277 CCNC(=O)CSCCOC(C)C 62a_100000183381_100000211751 [0,1,0,0,0,0|3,0,0]=4 5587 B12R0.277 CCNC(=O)CSCCOC(C)C 62a_100000211751_100000183381 [0,1,0,0,0,0|3,0,0]=4 5588 B12R0.277 CCNC(=O)CSCCSC(C)C 62a_100000183381_100000730970 [0,1,0,0,0,0|3,0,0]=4 5589 B12R0.277 CCNC(=O)CSCCSC(C)C 62a_100000730970_100000183381 [0,1,0,0,0,0|3,0,0]=4 5590 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100015525214_100025707445 [0,1,0,0,0,0|3,0,0]=4 5591 B12R0.277 CCNC(=O)NCCCCN(C)C 2708a_100025707445_100015525214 [0,1,0,0,0,0|3,0,0]=4 5592 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100015525214_100025707445 [0,1,0,0,0,0|3,0,0]=4 5593 B12R0.277 CCNC(=O)NCCCCN(C)C 273464a_100025707445_100015525214 [0,1,0,0,0,0|3,0,0]=4 5594 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100015525214_100025707445 [0,1,0,0,0,0|3,0,0]=4 5595 B12R0.277 CCNC(=O)NCCCCN(C)C 512a_100025707445_100015525214 [0,1,0,0,0,0|3,0,0]=4 5596 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100000737246_100015525214 [0,1,0,0,0,0|3,0,0]=4 5597 B12R0.277 CCNC(=O)NCCCOC(C)C 2708a_100015525214_100000737246 [0,1,0,0,0,0|3,0,0]=4 5598 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100000737246_100015525214 [0,1,0,0,0,0|3,0,0]=4 5599 B12R0.277 CCNC(=O)NCCCOC(C)C 273464a_100015525214_100000737246 [0,1,0,0,0,0|3,0,0]=4 5600 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100000737246_100015525214 [0,1,0,0,0,0|3,0,0]=4 5601 B12R0.277 CCNC(=O)NCCCOC(C)C 512a_100015525214_100000737246 [0,1,0,0,0,0|3,0,0]=4 5602 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 2230a_100000210953_100016267167 [0,1,0,0,0,0|1,0,2]=4 5603 B12R0.277 CCOC(=O)/C=C/CNCC(C)C 34a_100000210953_100016267167 [0,1,0,0,0,0|1,0,2]=4 5604 B12R0.277 CCOC(=O)/C=C/CNCC(C)O 2230a_100000210904_100016267167 [0,1,0,0,0,0|1,0,2]=4 5605 B12R0.277 CCOC(=O)/C=C/CNCC(C)O 34a_100000210904_100016267167 [0,1,0,0,0,0|1,0,2]=4 5606 B12R0.277 CCOC(=O)/C=C/COCC(C)Br 34a_100012180447_100016267167 [0,1,0,0,0,0|1,0,2]=4 5607 B12R0.277 CCOC(=O)/C=C/COCC(C)C 34a_100000210257_100016267167 [0,1,0,0,0,0|1,0,2]=4 5608 B12R0.277 CCOC(=O)/C=C/COCC(C)F 34a_100015925927_100016267167 [0,1,0,0,0,0|1,0,2]=4 5609 B12R0.277 CCOC(=O)/C=C/COC[C@@H](C)Cl 34a_100016084084_100016267167 [0,1,0,0,0,0|1,0,2]=4 5610 B12R0.277 CCOC(=O)/C=C/COC[C@@H](C)N 34a_100000737577_100016267167 [0,1,0,0,0,0|1,0,2]=4 5611 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100000210624_100016267167 [0,1,0,0,0,0|1,0,2]=4 5612 B12R0.277 CCOC(=O)/C=C/CSCC(C)C 62a_100016267167_100000210760 [0,1,0,0,0,0|1,0,2]=4 5613 B12R0.277 CCOC(=O)/C=C/CSCC(C)O 62a_100011218427_100016267167 [0,1,0,0,0,0|1,0,2]=4 5614 B12R0.277 CCOC(=O)/C=C/CSCC(C)O 62a_100016267167_100011218427 [0,1,0,0,0,0|1,0,2]=4 5615 B12R0.277 CCOC(=O)/C=C/CSC[C@@H](C)O 62a_100009817552_100016267167 [0,1,0,0,0,0|1,0,2]=4 5616 B12R0.277 CCOC(=O)/C=C/CSC[C@@H](C)O 62a_100016267167_100009817552 [0,1,0,0,0,0|1,0,2]=4 5617 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000037472_200000210301 [0,1,0,0,0,0|0,0,1]=2 5618 B12R0.277 CCOC(=O)CCCCCC(=O)C 1458a_100000070787_100000755133 [0,1,0,0,0,0|0,0,1]=2 5619 B12R0.277 CCOC(=O)CCCCCC(=O)[13CH3] 1458a_100000037472_200025704644 [0,1,0,0,0,0|0,0,1]=2 5620 B12R0.277 CCOC(=O)CCCCCN(C)C 2230a_100102631434_100000755133 [0,1,0,0,0,0|1,0,0]=2 5621 B12R0.277 CCOC(=O)CCCCCN(C)C 269982a_100102631434_100000755133 [0,1,0,0,0,0|1,0,0]=2 5622 B12R0.277 CCOC(=O)CCCCNC(=O)C 188690a_100000718961_100015343762 [0,1,0,0,0,0|1,0,1]=3 5623 B12R0.277 CCOC(=O)CCCCNC(C)C 2230a_100138425928_100000750268 [0,1,0,0,0,0|1,0,0]=2 5624 B12R0.277 CCOC(=O)CCCCNC(C)C 34a_100138425928_100000750268 [0,1,0,0,0,0|1,0,0]=2 5625 B12R0.277 CCOC(=O)CCCCOC(C)C 34a_100000212225_100000750268 [0,1,0,0,0,0|1,0,0]=2 5626 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000210206_100000750268 [0,1,0,0,0,0|1,0,0]=2 5627 B12R0.277 CCOC(=O)CCCCSC(C)C 62a_100000750268_100000210206 [0,1,0,0,0,0|1,0,0]=2 5628 B12R0.277 CCOC(=O)CCCNCC(=O)N 2230a_100000711301_100009991533 [0,1,0,0,0,0|2,0,1]=4 5629 B12R0.277 CCOC(=O)CCCNCC(=O)O 269956a_100016091260_100009991533 [0,1,0,0,0,0|2,0,1]=4 5630 B12R0.277 CCOC(=O)CCCNCC(C)C 2230a_100000210953_100009991533 [0,1,0,0,0,0|1,0,0]=2 5631 B12R0.277 CCOC(=O)CCCNCC(C)C 34a_100000210953_100009991533 [0,1,0,0,0,0|1,0,0]=2 5632 B12R0.277 CCOC(=O)CCCNCC(C)O 2230a_100000210904_100009991533 [0,1,0,0,0,0|1,0,0]=2 5633 B12R0.277 CCOC(=O)CCCNCC(C)O 34a_100000210904_100009991533 [0,1,0,0,0,0|1,0,0]=2 5634 B12R0.277 CCOC(=O)CCCNCC(F)F 34a_100000765723_100009991533 [0,1,0,0,0,0|2,0,0]=3 5635 B12R0.277 CCOC(=O)CCCOCC(=O)C 34a_100000211253_100009991533 [0,1,0,0,0,0|1,0,1]=3 5636 B12R0.277 CCOC(=O)CCCOCC(=O)N 7a_100012001163_100000187820 [0,1,0,0,0,0|2,0,1]=4 5637 B12R0.277 CCOC(=O)CCCOCC(C)Br 34a_100012180447_100009991533 [0,1,0,0,0,0|1,0,0]=2 5638 B12R0.277 CCOC(=O)CCCOCC(C)C 34a_100000210257_100009991533 [0,1,0,0,0,0|1,0,0]=2 5639 B12R0.277 CCOC(=O)CCCOCC(C)C 7a_100012001163_100000210760 [0,1,0,0,0,0|1,0,0]=2 5640 B12R0.277 CCOC(=O)CCCOCC(C)F 34a_100015925927_100009991533 [0,1,0,0,0,0|1,0,0]=2 5641 B12R0.277 CCOC(=O)CCCOCC(C)O 7a_100012001163_100011218427 [0,1,0,0,0,0|1,0,0]=2 5642 B12R0.277 CCOC(=O)CCCOCC(F)F 34a_100000743014_100009991533 [0,1,0,0,0,0|2,0,0]=3 5643 B12R0.277 CCOC(=O)CCCOCC(F)F 7a_100012001163_100011934356 [0,1,0,0,0,0|2,0,0]=3 5644 B12R0.277 CCOC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100009991533 [0,1,0,0,0,0|1,0,0]=2 5645 B12R0.277 CCOC(=O)CCCOC[C@@H](C)N 34a_100000737577_100009991533 [0,1,0,0,0,0|1,0,0]=2 5646 B12R0.277 CCOC(=O)CCCOC[C@@H](C)O 7a_100012001163_100009817552 [0,1,0,0,0,0|1,0,0]=2 5647 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100000747473_100009991533 [0,1,0,0,0,0|2,0,1]=4 5648 B12R0.277 CCOC(=O)CCCSCC(=O)N 62a_100009991533_100000747473 [0,1,0,0,0,0|2,0,1]=4 5649 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100009991533_100020667443 [0,1,0,0,0,0|2,0,1]=4 5650 B12R0.277 CCOC(=O)CCCSCC(=O)[O-] 62a_100020667443_100009991533 [0,1,0,0,0,0|2,0,1]=4 5651 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100000210624_100009991533 [0,1,0,0,0,0|1,0,0]=2 5652 B12R0.277 CCOC(=O)CCCSCC(C)C 62a_100009991533_100000210760 [0,1,0,0,0,0|1,0,0]=2 5653 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100009991533_100011218427 [0,1,0,0,0,0|1,0,0]=2 5654 B12R0.277 CCOC(=O)CCCSCC(C)O 62a_100011218427_100009991533 [0,1,0,0,0,0|1,0,0]=2 5655 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100009991533_100011934356 [0,1,0,0,0,0|2,0,0]=3 5656 B12R0.277 CCOC(=O)CCCSCC(F)F 62a_100011934356_100009991533 [0,1,0,0,0,0|2,0,0]=3 5657 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009817552_100009991533 [0,1,0,0,0,0|1,0,0]=2 5658 B12R0.277 CCOC(=O)CCCSC[C@@H](C)O 62a_100009991533_100009817552 [0,1,0,0,0,0|1,0,0]=2 5659 B12R0.277 CCOC(=O)CCCSC[N+](=O)[O-] 62a_100009991533_100000761209 [0,1,0,0,0,0|3,0,0]=4 5660 B12R0.277 CCOC(=O)CCNCC=C(C)C 34a_100000718196_100000765890 [0,1,0,0,0,0|1,0,2]=4 5661 B12R0.277 CCOC(=O)CCNCCC(C)O 2230a_200000755665_100011206558 [0,1,0,0,0,0|1,0,0]=2 5662 B12R0.277 CCOC(=O)CCOCC=C(C)C 34a_100000753907_100000765890 [0,1,0,0,0,0|1,0,2]=4 5663 B12R0.277 CCOC(=O)CCOCCC(=O)C 34a_100000759926_100000765890 [0,1,0,0,0,0|1,0,1]=3 5664 B12R0.277 CCOC(=O)CCOCCC(=O)C 7a_100000759926_100011206558 [0,1,0,0,0,0|1,0,1]=3 5665 B12R0.277 CCOC(=O)CCOCCC(=O)N 34a_100000757172_100000765890 [0,1,0,0,0,0|2,0,1]=4 5666 B12R0.277 CCOC(=O)CCOCCC(=O)N 7a_100000757172_100011206558 [0,1,0,0,0,0|2,0,1]=4 5667 B12R0.277 CCOC(=O)CCOCCC(C)Br 34a_100009893172_100000765890 [0,1,0,0,0,0|1,0,0]=2 5668 B12R0.277 CCOC(=O)CCOCCC(C)C 34a_100000210254_100000765890 [0,1,0,0,0,0|1,0,0]=2 5669 B12R0.277 CCOC(=O)CCOCCC(C)C 7a_100000210254_100011206558 [0,1,0,0,0,0|1,0,0]=2 5670 B12R0.277 CCOC(=O)CCOCCC(F)F 34a_100103093639_100000765890 [0,1,0,0,0,0|2,0,0]=3 5671 B12R0.277 CCOC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000765890 [0,1,0,0,0,0|1,0,0]=2 5672 B12R0.277 CCOC(=O)CCSCC=C(C)C 62a_100000761012_100000765890 [0,1,0,0,0,0|1,0,2]=4 5673 B12R0.277 CCOC(=O)CCSCC=C(C)C 62a_100000765890_100000761012 [0,1,0,0,0,0|1,0,2]=4 5674 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000053229_100000765890 [0,1,0,0,0,0|1,0,1]=3 5675 B12R0.277 CCOC(=O)CCSCCC(=O)C 62a_100000765890_100000053229 [0,1,0,0,0,0|1,0,1]=3 5676 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000744528_100000765890 [0,1,0,0,0,0|2,0,1]=4 5677 B12R0.277 CCOC(=O)CCSCCC(=O)N 62a_100000765890_100000744528 [0,1,0,0,0,0|2,0,1]=4 5678 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000210312_100000765890 [0,1,0,0,0,0|1,0,0]=2 5679 B12R0.277 CCOC(=O)CCSCCC(C)C 62a_100000765890_100000210312 [0,1,0,0,0,0|1,0,0]=2 5680 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100000765890_100012276601 [0,1,0,0,0,0|1,0,0]=2 5681 B12R0.277 CCOC(=O)CCSCCC(C)O 62a_100012276601_100000765890 [0,1,0,0,0,0|1,0,0]=2 5682 B12R0.277 CCOC(=O)CCSCCN(C)C 62a_100000765890_100000755713 [0,1,0,0,0,0|2,0,0]=3 5683 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000076356_100000765890 [0,1,0,0,0,0|2,0,1]=4 5684 B12R0.277 CCOC(=O)CCSCOC(=O)C 62a_100000765890_100000076356 [0,1,0,0,0,0|2,0,1]=4 5685 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000709892_100000765890 [0,1,0,0,0,0|2,0,0]=3 5686 B12R0.277 CCOC(=O)CCSCOC(C)C 62a_100000765890_100000709892 [0,1,0,0,0,0|2,0,0]=3 5687 B12R0.277 CCOC(=O)CNCCCC(=O)N 34a_100000739312_100000188475 [0,1,0,0,0,0|2,0,1]=4 5688 B12R0.277 CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000188475 [0,1,0,0,0,0|1,0,0]=2 5689 B12R0.277 CCOC(=O)CNCCCC(C)C 34a_200000737386_100000188475 [0,1,0,0,0,0|1,0,0]=2 5690 B12R0.277 CCOC(=O)CNCCCS(=O)C 2230a_200000753449_100000188475 [0,1,0,0,0,0|2,0,0]=3 5691 B12R0.277 CCOC(=O)CNCCNC(=O)C 2230a_100000209853_100000188475 [0,1,0,0,0,0|2,0,1]=4 5692 B12R0.277 CCOC(=O)CNCCOC(C)C 2230a_100000701111_100000188475 [0,1,0,0,0,0|2,0,0]=3 5693 B12R0.277 CCOC(=O)CNCCOC(C)C 34a_100000701111_100000188475 [0,1,0,0,0,0|2,0,0]=3 5694 B12R0.277 CCOC(=O)CNCCSC(C)C 2230a_100000731138_100000188475 [0,1,0,0,0,0|2,0,0]=3 5695 B12R0.277 CCOC(=O)CNCCSC(C)C 34a_100000731138_100000188475 [0,1,0,0,0,0|2,0,0]=3 5696 B12R0.277 CCOC(=O)COCCCC(=O)C 1458a_100000070787_100009893628 [0,1,0,0,0,0|1,0,1]=3 5697 B12R0.277 CCOC(=O)COCCCC(=O)C 34a_100000759063_100000188475 [0,1,0,0,0,0|1,0,1]=3 5698 B12R0.277 CCOC(=O)COCCCC(=O)C 7a_100000759063_100000188475 [0,1,0,0,0,0|1,0,1]=3 5699 B12R0.277 CCOC(=O)COCCCC(C)C 34a_100000210774_100000188475 [0,1,0,0,0,0|1,0,0]=2 5700 B12R0.277 CCOC(=O)COCCCC(C)C 7a_100000210774_100000188475 [0,1,0,0,0,0|1,0,0]=2 5701 B12R0.277 CCOC(=O)COCCCN(C)C 2230a_100102631434_100009893628 [0,1,0,0,0,0|2,0,0]=3 5702 B12R0.277 CCOC(=O)COCCCN(C)C 269982a_100102631434_100009893628 [0,1,0,0,0,0|2,0,0]=3 5703 B12R0.277 CCOC(=O)COCCC[N+](=O)[O-] 34a_200000037920_100000188475 [0,1,0,0,0,0|3,0,0]=4 5704 B12R0.277 CCOC(=O)COCCNC(=O)C 34a_100000158858_100000188475 [0,1,0,0,0,0|2,0,1]=4 5705 B12R0.277 CCOC(=O)COCCNC(C)C 2230a_100138425928_100000088970 [0,1,0,0,0,0|2,0,0]=3 5706 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100000224655_100000188475 [0,1,0,0,0,0|2,0,0]=3 5707 B12R0.277 CCOC(=O)COCCNC(C)C 34a_100138425928_100000088970 [0,1,0,0,0,0|2,0,0]=3 5708 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000211219_100000188475 [0,1,0,0,0,0|2,0,0]=3 5709 B12R0.277 CCOC(=O)COCCOC(C)C 34a_100000212225_100000088970 [0,1,0,0,0,0|2,0,0]=3 5710 B12R0.277 CCOC(=O)COCCOC(C)C 7a_100000211219_100000188475 [0,1,0,0,0,0|2,0,0]=3 5711 B12R0.277 CCOC(=O)COCCSC(C)C 34a_200011212901_100000188475 [0,1,0,0,0,0|2,0,0]=3 5712 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000088970_100000210206 [0,1,0,0,0,0|2,0,0]=3 5713 B12R0.277 CCOC(=O)COCCSC(C)C 62a_100000210206_100000088970 [0,1,0,0,0,0|2,0,0]=3 5714 B12R0.277 CCOC(=O)COCCSC(C)C 7a_200011212901_100000188475 [0,1,0,0,0,0|2,0,0]=3 5715 B12R0.277 CCOC(=O)CSCCC=C(C)C 62a_100000188475_100011217483 [0,1,0,0,0,0|1,0,2]=4 5716 B12R0.277 CCOC(=O)CSCCC=C(C)C 62a_100011217483_100000188475 [0,1,0,0,0,0|1,0,2]=4 5717 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100000188475_100011215641 [0,1,0,0,0,0|1,0,1]=3 5718 B12R0.277 CCOC(=O)CSCCCC(=O)C 62a_100011215641_100000188475 [0,1,0,0,0,0|1,0,1]=3 5719 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100000188475_100102525003 [0,1,0,0,0,0|2,0,1]=4 5720 B12R0.277 CCOC(=O)CSCCCC(=O)N 62a_100102525003_100000188475 [0,1,0,0,0,0|2,0,1]=4 5721 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100000188475_100011214892 [0,1,0,0,0,0|1,0,0]=2 5722 B12R0.277 CCOC(=O)CSCCCC(C)C 62a_100011214892_100000188475 [0,1,0,0,0,0|1,0,0]=2 5723 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_100000188475_200000718107 [0,1,0,0,0,0|1,0,0]=2 5724 B12R0.277 CCOC(=O)CSCCCC(C)O 62a_200000718107_100000188475 [0,1,0,0,0,0|1,0,0]=2 5725 B12R0.277 CCOC(=O)CSCCCN(C)C 62a_100000188475_100000757444 [0,1,0,0,0,0|2,0,0]=3 5726 B12R0.277 CCOC(=O)CSCCNC(=O)C 62a_100000188475_100000189650 [0,1,0,0,0,0|2,0,1]=4 5727 B12R0.277 CCOC(=O)CSCCNC(=O)C 62a_100000189650_100000188475 [0,1,0,0,0,0|2,0,1]=4 5728 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100000188475_100009814007 [0,1,0,0,0,0|2,0,1]=4 5729 B12R0.277 CCOC(=O)CSCCOC(=O)C 62a_100009814007_100000188475 [0,1,0,0,0,0|2,0,1]=4 5730 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000188475_100000211751 [0,1,0,0,0,0|2,0,0]=3 5731 B12R0.277 CCOC(=O)CSCCOC(C)C 62a_100000211751_100000188475 [0,1,0,0,0,0|2,0,0]=3 5732 B12R0.277 CCOC(=O)CSCCOC(C)C 7a_200000230590_100000210206 [0,1,0,0,0,0|2,0,0]=3 5733 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000188475_100000730970 [0,1,0,0,0,0|2,0,0]=3 5734 B12R0.277 CCOC(=O)CSCCSC(C)C 62a_100000730970_100000188475 [0,1,0,0,0,0|2,0,0]=3 5735 B12R0.277 CCOC(=O)NCCOCC(C)C 34a_100000158857_100000210624 [0,1,0,0,0,0|2,0,0]=3 5736 B12R0.277 CCOC(=O)NCCOCC(C)O 34a_100000158857_100011218427 [0,1,0,0,0,0|2,0,0]=3 5737 B12R0.277 CCOC(=O)NCCOCC(F)F 34a_100000158857_100011934356 [0,1,0,0,0,0|3,0,0]=4 5738 B12R0.277 CCOC(=O)NCCOC[C@@H](C)O 34a_100000158857_100009817552 [0,1,0,0,0,0|2,0,0]=3 5739 B12R0.277 CCOC(=O)NCCSCC(C)C 62a_100000210624_200011445536 [0,1,0,0,0,0|2,0,0]=3 5740 B12R0.277 CCOC(=O)NCCSCC(C)O 62a_100011218427_200011445536 [0,1,0,0,0,0|2,0,0]=3 5741 B12R0.277 CCOC(=O)NCCSCC(F)F 62a_100011934356_200011445536 [0,1,0,0,0,0|3,0,0]=4 5742 B12R0.277 CCOC(=O)NCCSC[C@@H](C)O 62a_100009817552_200011445536 [0,1,0,0,0,0|2,0,0]=3 5743 B12R0.277 CCOC(=O)OCSCCC(=O)C 62a_100000053229_100000075025 [0,1,0,0,0,0|2,0,1]=4 5744 B12R0.277 CCOC(=O)OCSCCC(C)C 62a_100000210312_100000075025 [0,1,0,0,0,0|2,0,0]=3 5745 B12R0.277 CCOC(=O)OCSCCC(C)O 62a_100012276601_100000075025 [0,1,0,0,0,0|2,0,0]=3 5746 B12R0.277 CCOC(=O)OCSCOC(C)C 62a_100000709892_100000075025 [0,1,0,0,0,0|3,0,0]=4 5747 B12R0.277 CNNC(=O)CCCCCC(C)C 22a_100016993582_100000766313 [0,1,0,0,0,0|2,0,0]=3 5748 B12R0.277 COCC(=O)CCCCCC(C)C 1458a_100000210968_100000210682 [0,1,0,0,0,0|2,0,0]=3 5749 B12R0.277 CSCC(=O)CCCCCC(C)C 1458a_100000184570_100000210682 [0,1,0,0,0,0|2,0,0]=3 5750 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000184674 [0,1,0,0,0,0|0,0,3]=4 5751 B12R0.285 C#CCC(=O)CCCC(=O)OCC 1458a_100011220946_100011215271 [0,1,0,0,0,0|0,0,3]=4 5752 B12R0.285 C#CCC(C)OCCC(=O)OCC 34a_100000685586_100000765890 [0,1,0,0,0,0|1,0,2]=4 5753 B12R0.285 C#CCC(C)OCCC(=O)OCC 7a_100000685586_100011206558 [0,1,0,0,0,0|1,0,2]=4 5754 B12R0.285 C#CCN(C)CCCC(=O)OCC 2230a_100000225692_100009991533 [0,1,0,0,0,0|1,0,2]=4 5755 B12R0.285 C#CCN(C)CCCC(=O)OCC 34a_100000225692_100009991533 [0,1,0,0,0,0|1,0,2]=4 5756 B12R0.285 C/C=C/C(C)OCCC(=O)OCC 34a_200102604097_100000765890 [0,1,0,0,0,0|1,0,2]=4 5757 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210193_100011215271 [0,1,0,0,0,0|0,0,3]=4 5758 B12R0.285 C=CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210623 [0,1,0,0,0,0|0,0,3]=4 5759 B12R0.285 C=CCC(C)COCC(=O)OCC 34a_100009832082_100000188475 [0,1,0,0,0,0|1,0,2]=4 5760 B12R0.285 C=CCC(C)COCC(=O)OCC 7a_100009832082_100000188475 [0,1,0,0,0,0|1,0,2]=4 5761 B12R0.285 C=CCN(C)CCCC(=O)OCC 2230a_100000225617_100009991533 [0,1,0,0,0,0|1,0,2]=4 5762 B12R0.285 C=CCN(C)CCCC(=O)OCC 269982a_100000225617_100009991533 [0,1,0,0,0,0|1,0,2]=4 5763 B12R0.285 C=CC[C@@H](C)OCCC(=O)OCC 34a_100000731007_100000765890 [0,1,0,0,0,0|1,0,2]=4 5764 B12R0.285 C=CC[C@@H](C)OCCC(=O)OCC 7a_100000731007_100011206558 [0,1,0,0,0,0|1,0,2]=4 5765 B12R0.285 C=CC[C@@H](N)COCC(=O)OCC 34a_100020615467_100000188475 [0,1,0,0,0,0|1,0,2]=4 5766 B12R0.285 C=COC(=O)COCC(C)CCC 34a_100000688023_100000036128 [0,1,0,0,0,0|1,0,2]=4 5767 B12R0.285 C=COC(=O)COC[C@@H](N)CCC 34a_100000732646_100000036128 [0,1,0,0,0,0|1,0,2]=4 5768 B12R0.285 C=COC(=O)CSCC(C)CCC 62a_100000036128_100011216630 [0,1,0,0,0,0|1,0,2]=4 5769 B12R0.285 C=COC(=O)CSCC(C)CCC 62a_100011216630_100000036128 [0,1,0,0,0,0|1,0,2]=4 5770 B12R0.285 CC#CC(=O)CCCC(=O)OCC 1458a_100000763181_100011215271 [0,1,0,0,0,0|0,0,3]=4 5771 B12R0.285 CC#CC(C)OCCC(=O)OCC 34a_100011216543_100000765890 [0,1,0,0,0,0|1,0,2]=4 5772 B12R0.285 CC=CC(=O)CCCC(=O)OCC 1458a_100000210699_100011215271 [0,1,0,0,0,0|0,0,3]=4 5773 B12R0.285 CCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210303 [0,1,0,0,0,0|1,0,1]=3 5774 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210303 [0,1,0,0,0,0|0,0,1]=2 5775 B12R0.285 CCCC(=O)CCCC(=O)OCC 1458a_100000211992_100011215271 [0,1,0,0,0,0|0,0,1]=2 5776 B12R0.285 CCCC(=O)CCNC(=O)OCC 1458a_100000211992_200011445536 [0,1,0,0,0,0|1,0,1]=3 5777 B12R0.285 CCCC(=O)CNCC(=O)NCC 2230a_100016988866_100000747444 [0,1,0,0,0,0|2,0,1]=4 5778 B12R0.285 CCCC(=O)CNCC(O)COC 2230a_100000756049_100000747444 [0,1,0,0,0,0|3,0,0]=4 5779 B12R0.285 CCCC(=O)COCC(C)CCC 7a_100000688023_100000747444 [0,1,0,0,0,0|2,0,0]=3 5780 B12R0.285 CCCC(=O)CSCC(=O)CCC 62a_100000747444_100000747444 [0,1,0,0,0,0|2,0,1]=4 5781 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000183381_100000747444 [0,1,0,0,0,0|2,0,1]=4 5782 B12R0.285 CCCC(=O)CSCC(=O)NCC 62a_100000747444_100000183381 [0,1,0,0,0,0|2,0,1]=4 5783 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000188475_100000747444 [0,1,0,0,0,0|1,0,1]=3 5784 B12R0.285 CCCC(=O)CSCC(=O)OCC 62a_100000747444_100000188475 [0,1,0,0,0,0|1,0,1]=3 5785 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100000747444_100011216630 [0,1,0,0,0,0|2,0,0]=3 5786 B12R0.285 CCCC(=O)CSCC(C)CCC 62a_100011216630_100000747444 [0,1,0,0,0,0|2,0,0]=3 5787 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100000747444_100011215053 [0,1,0,0,0,0|3,0,0]=4 5788 B12R0.285 CCCC(=O)CSCC(O)COC 62a_100011215053_100000747444 [0,1,0,0,0,0|3,0,0]=4 5789 B12R0.285 CCCC(=O)NCCC(=O)NCC 11a_100025743525_100000211992 [0,1,0,0,0,0|2,0,1]=4 5790 B12R0.285 CCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000211992 [0,1,0,0,0,0|2,0,1]=4 5791 B12R0.285 CCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000211992 [0,1,0,0,0,0|2,0,1]=4 5792 B12R0.285 CCCC(=O)NCCC(=O)NCC 527a_100025743525_100000211992 [0,1,0,0,0,0|2,0,1]=4 5793 B12R0.285 CCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211992 [0,1,0,0,0,0|1,0,1]=3 5794 B12R0.285 CCCC(=O)OCNC(C)CCC 2230a_100000741246_100000034017 [0,1,0,0,0,0|3,0,0]=4 5795 B12R0.285 CCCC(=O)OCOC(C)CCC 34a_100000764384_100000034017 [0,1,0,0,0,0|3,0,0]=4 5796 B12R0.285 CCCC(=O)OCSC(C)CCC 62a_100000766640_100000034017 [0,1,0,0,0,0|3,0,0]=4 5797 B12R0.285 CCCC(C)CNCC(=O)NCC 2230a_100016988866_100011216630 [0,1,0,0,0,0|2,0,0]=3 5798 B12R0.285 CCCC(C)CNCC(=O)NCC 270004a_100016988866_100000243154 [0,1,0,0,0,0|2,0,0]=3 5799 B12R0.285 CCCC(C)COCC(=O)NCC 34a_100000688023_100000183381 [0,1,0,0,0,0|2,0,0]=3 5800 B12R0.285 CCCC(C)COCC(=O)NCC 7a_100000688023_100000183381 [0,1,0,0,0,0|2,0,0]=3 5801 B12R0.285 CCCC(C)COCC(=O)NCO 34a_100000688023_100000185155 [0,1,0,0,0,0|3,0,0]=4 5802 B12R0.285 CCCC(C)COCC(=O)NCO 7a_100000688023_100000185155 [0,1,0,0,0,0|3,0,0]=4 5803 B12R0.285 CCCC(C)COCC(=O)OCC 34a_100000688023_100000188475 [0,1,0,0,0,0|1,0,0]=2 5804 B12R0.285 CCCC(C)COCC(=O)OCC 7a_100000688023_100000188475 [0,1,0,0,0,0|1,0,0]=2 5805 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100000183381_100011216630 [0,1,0,0,0,0|2,0,0]=3 5806 B12R0.285 CCCC(C)CSCC(=O)NCC 62a_100011216630_100000183381 [0,1,0,0,0,0|2,0,0]=3 5807 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100000185155_100011216630 [0,1,0,0,0,0|3,0,0]=4 5808 B12R0.285 CCCC(C)CSCC(=O)NCO 62a_100011216630_100000185155 [0,1,0,0,0,0|3,0,0]=4 5809 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100000188475_100011216630 [0,1,0,0,0,0|1,0,0]=2 5810 B12R0.285 CCCC(C)CSCC(=O)OCC 62a_100011216630_100000188475 [0,1,0,0,0,0|1,0,0]=2 5811 B12R0.285 CCCC(C)NCCC(=O)NCC 2230a_100000741246_100000737597 [0,1,0,0,0,0|2,0,0]=3 5812 B12R0.285 CCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211909 [0,1,0,0,0,0|2,0,0]=3 5813 B12R0.285 CCCC(C)NCCC(=O)NCC 34a_100025743525_100000766640 [0,1,0,0,0,0|2,0,0]=3 5814 B12R0.285 CCCC(C)NCCC(=O)OCC 2230a_100000741246_100011206558 [0,1,0,0,0,0|1,0,0]=2 5815 B12R0.285 CCCC(C)OCCC(=O)NCC 7a_100000764384_100000737597 [0,1,0,0,0,0|2,0,0]=3 5816 B12R0.285 CCCC(C)OCCC(=O)OCC 34a_100000764384_100000765890 [0,1,0,0,0,0|1,0,0]=2 5817 B12R0.285 CCCC(C)OCCC(=O)OCC 7a_100000764384_100011206558 [0,1,0,0,0,0|1,0,0]=2 5818 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000737597_100000766640 [0,1,0,0,0,0|2,0,0]=3 5819 B12R0.285 CCCC(C)SCCC(=O)NCC 62a_100000766640_100000737597 [0,1,0,0,0,0|2,0,0]=3 5820 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000765890_100000766640 [0,1,0,0,0,0|1,0,0]=2 5821 B12R0.285 CCCC(C)SCCC(=O)OCC 62a_100000766640_100000765890 [0,1,0,0,0,0|1,0,0]=2 5822 B12R0.285 CCCC(C)SCOC(=O)OCC 62a_100000766640_100000075025 [0,1,0,0,0,0|2,0,0]=3 5823 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 2230a_100000747261_100016267167 [0,1,0,0,0,0|1,0,2]=4 5824 B12R0.285 CCCN(C)C/C=C/C(=O)OCC 269982a_100000747261_100016267167 [0,1,0,0,0,0|1,0,2]=4 5825 B12R0.285 CCCN(C)CCCC(=O)OCC 2230a_100000747261_100009991533 [0,1,0,0,0,0|1,0,0]=2 5826 B12R0.285 CCCN(C)CCCC(=O)OCC 269982a_100000747261_100009991533 [0,1,0,0,0,0|1,0,0]=2 5827 B12R0.285 CCCN(C)CCNC(=O)OCC 269982a_100000747261_200011445536 [0,1,0,0,0,0|2,0,0]=3 5828 B12R0.285 CCC[C@H](N)COCC(=O)NCC 34a_100000732646_100000183381 [0,1,0,0,0,0|2,0,0]=3 5829 B12R0.285 CCC[C@H](N)COCC(=O)NCO 34a_100000732646_100000185155 [0,1,0,0,0,0|3,0,0]=4 5830 B12R0.285 CCC[C@H](N)COCC(=O)OCC 34a_100000732646_100000188475 [0,1,0,0,0,0|1,0,0]=2 5831 B12R0.285 CCNC(=O)CCCC(=O)CCF 1458a_100000199580_100011217306 [0,1,0,0,0,0|2,0,1]=4 5832 B12R0.285 CCNC(=O)CCCC(=O)CCO 1458a_100000199580_100000211926 [0,1,0,0,0,0|2,0,1]=4 5833 B12R0.285 CCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199580 [0,1,0,0,0,0|2,0,1]=4 5834 B12R0.285 CCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199580 [0,1,0,0,0,0|2,0,1]=4 5835 B12R0.285 CCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199580 [0,1,0,0,0,0|2,0,1]=4 5836 B12R0.285 CCNC(=O)CCCC(=O)OCC 11a_100015525214_100000210991 [0,1,0,0,0,0|1,0,1]=3 5837 B12R0.285 CCNC(=O)CCCC(=O)OCC 240690a_100015525214_100000210991 [0,1,0,0,0,0|1,0,1]=3 5838 B12R0.285 CCNC(=O)CCCC(=O)OCC 527a_100015525214_100000210991 [0,1,0,0,0,0|1,0,1]=3 5839 B12R0.285 CCNC(=O)CCNC(C)CCO 34a_100025743525_100009893172 [0,1,0,0,0,0|3,0,0]=4 5840 B12R0.285 CCNC(=O)CCNC(C)COC 270004a_100025743525_100000749346 [0,1,0,0,0,0|3,0,0]=4 5841 B12R0.285 CCNC(=O)CCNC(C)COC 34a_100025743525_100000765312 [0,1,0,0,0,0|3,0,0]=4 5842 B12R0.285 CCNC(=O)CCNC(C)CSC 270004a_100025743525_100011216314 [0,1,0,0,0,0|3,0,0]=4 5843 B12R0.285 CCNC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000737597 [0,1,0,0,0,0|3,0,0]=4 5844 B12R0.285 CCNC(=O)CCN[C@H](C)COC 2230a_100000764878_100000737597 [0,1,0,0,0,0|3,0,0]=4 5845 B12R0.285 CCNC(=O)CCSC(C)CCO 62a_100000737597_100009893172 [0,1,0,0,0,0|3,0,0]=4 5846 B12R0.285 CCNC(=O)CCSC(C)CCO 62a_100009893172_100000737597 [0,1,0,0,0,0|3,0,0]=4 5847 B12R0.285 CCNC(=O)CCSC(C)COC 62a_100000737597_100000765312 [0,1,0,0,0,0|3,0,0]=4 5848 B12R0.285 CCNC(=O)CCSC(C)COC 62a_100000765312_100000737597 [0,1,0,0,0,0|3,0,0]=4 5849 B12R0.285 CCNC(=O)CNCC(=O)OCC 2230a_100016988866_100000188475 [0,1,0,0,0,0|2,0,1]=4 5850 B12R0.285 CCNC(=O)CNCC(O)COC 2230a_100000756049_100000183381 [0,1,0,0,0,0|3,0,0]=4 5851 B12R0.285 CCNC(=O)CNCC(O)COC 34a_100000756049_100000183381 [0,1,0,0,0,0|3,0,0]=4 5852 B12R0.285 CCNC(=O)COCC(C)CCN 34a_106354213184_100000183381 [0,1,0,0,0,0|3,0,0]=4 5853 B12R0.285 CCNC(=O)COCC(N)COC 34a_100000724102_100000183381 [0,1,0,0,0,0|3,0,0]=4 5854 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000183381_100000188475 [0,1,0,0,0,0|2,0,1]=4 5855 B12R0.285 CCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183381 [0,1,0,0,0,0|2,0,1]=4 5856 B12R0.285 CCNC(=O)CSCC(O)COC 62a_100000183381_100011215053 [0,1,0,0,0,0|3,0,0]=4 5857 B12R0.285 CCNC(=O)CSCC(O)COC 62a_100011215053_100000183381 [0,1,0,0,0,0|3,0,0]=4 5858 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100000210991_100011214920 [0,1,0,0,0,0|1,0,2]=4 5859 B12R0.285 CCOC(=O)CCCC(=O)CC#N 1458a_100051588842_100011215271 [0,1,0,0,0,0|1,0,2]=4 5860 B12R0.285 CCOC(=O)CCCC(=O)CCF 1458a_100000210991_100011217306 [0,1,0,0,0,0|1,0,1]=3 5861 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100000210991_100000211926 [0,1,0,0,0,0|1,0,1]=3 5862 B12R0.285 CCOC(=O)CCCC(=O)CCO 1458a_100011216618_100011215271 [0,1,0,0,0,0|1,0,1]=3 5863 B12R0.285 CCOC(=O)CCCC(=O)COC 1458a_100000210968_100011215271 [0,1,0,0,0,0|1,0,1]=3 5864 B12R0.285 CCOC(=O)CCCC(=O)CSC 1458a_100000184570_100011215271 [0,1,0,0,0,0|1,0,1]=3 5865 B12R0.285 CCOC(=O)CCCC(=O)NNC 22a_100016993582_100000210991 [0,1,0,0,0,0|2,0,1]=4 5866 B12R0.285 CCOC(=O)CCCN(C)CC#N 2230a_100000748184_100009991533 [0,1,0,0,0,0|2,0,1]=4 5867 B12R0.285 CCOC(=O)CCCN(C)CCO 2230a_100000210263_100009991533 [0,1,0,0,0,0|2,0,0]=3 5868 B12R0.285 CCOC(=O)CCCN(C)CCO 269982a_100000210263_100009991533 [0,1,0,0,0,0|2,0,0]=3 5869 B12R0.285 CCOC(=O)CCNC(=O)COC 188690a_100000746078_100000210968 [0,1,0,0,0,0|2,0,1]=4 5870 B12R0.285 CCOC(=O)CCNC(=O)CSC 188690a_100000746078_100000184570 [0,1,0,0,0,0|2,0,1]=4 5871 B12R0.285 CCOC(=O)CCN[C@@H](C)CC#N 2230a_100016994482_100011206558 [0,1,0,0,0,0|2,0,1]=4 5872 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 2230a_100000706166_100011206558 [0,1,0,0,0,0|2,0,0]=3 5873 B12R0.285 CCOC(=O)CCN[C@H](C)CCO 34a_100000706166_100000765890 [0,1,0,0,0,0|2,0,0]=3 5874 B12R0.285 CCOC(=O)CCN[C@H](C)COC 2230a_100000764878_100011206558 [0,1,0,0,0,0|2,0,0]=3 5875 B12R0.285 CCOC(=O)CCOC(C)CCBr 34a_100012276601_100000765890 [0,1,0,0,0,0|2,0,0]=3 5876 B12R0.285 CCOC(=O)CCO[C@H](C)COC 34a_100011934205_100000765890 [0,1,0,0,0,0|2,0,0]=3 5877 B12R0.285 CCOC(=O)CCSC(C)CC#N 62a_100000765890_100009813641 [0,1,0,0,0,0|2,0,1]=4 5878 B12R0.285 CCOC(=O)CCSC(C)CC#N 62a_100009813641_100000765890 [0,1,0,0,0,0|2,0,1]=4 5879 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100000765890_100009893172 [0,1,0,0,0,0|2,0,0]=3 5880 B12R0.285 CCOC(=O)CCSC(C)CCO 62a_100009893172_100000765890 [0,1,0,0,0,0|2,0,0]=3 5881 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765312_100000765890 [0,1,0,0,0,0|2,0,0]=3 5882 B12R0.285 CCOC(=O)CCSC(C)COC 62a_100000765890_100000765312 [0,1,0,0,0,0|2,0,0]=3 5883 B12R0.285 CCOC(=O)CNCC(O)COC 2230a_100000756049_100000188475 [0,1,0,0,0,0|2,0,0]=3 5884 B12R0.285 CCOC(=O)CNCC(O)COC 34a_100000756049_100000188475 [0,1,0,0,0,0|2,0,0]=3 5885 B12R0.285 CCOC(=O)COCC(C)CCN 34a_106354213184_100000188475 [0,1,0,0,0,0|2,0,0]=3 5886 B12R0.285 CCOC(=O)COCC(N)COC 34a_100000724102_100000188475 [0,1,0,0,0,0|2,0,0]=3 5887 B12R0.285 CCOC(=O)CSCC(=O)OCC 62a_100000188475_100000188475 [0,1,0,0,0,0|2,0,1]=4 5888 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100000188475_100011215053 [0,1,0,0,0,0|2,0,0]=3 5889 B12R0.285 CCOC(=O)CSCC(O)COC 62a_100011215053_100000188475 [0,1,0,0,0,0|2,0,0]=3 5890 B12R0.285 CCOC(=O)CSC[C@@H](O)CC#N 62a_100000001066_100000188475 [0,1,0,0,0,0|2,0,1]=4 5891 B12R0.285 CCOC(=O)CSC[C@@H](O)CC#N 62a_100000188475_100000001066 [0,1,0,0,0,0|2,0,1]=4 5892 B12R0.285 CCOC(=O)NCCC(=O)CCO 1458a_100011216618_200011445536 [0,1,0,0,0,0|2,0,1]=4 5893 B12R0.285 CCOC(=O)NCCC(=O)COC 1458a_100000210968_200011445536 [0,1,0,0,0,0|2,0,1]=4 5894 B12R0.285 CCOC(=O)NCCC(=O)CSC 1458a_100000184570_200011445536 [0,1,0,0,0,0|2,0,1]=4 5895 B12R0.285 CCOC(=O)NCCN(C)CCO 269982a_100000210263_200011445536 [0,1,0,0,0,0|3,0,0]=4 5896 B12R0.285 CCOC(=O)OCSC(C)CCO 62a_100009893172_100000075025 [0,1,0,0,0,0|3,0,0]=4 5897 B12R0.285 CCOC(=O)OCSC(C)COC 62a_100000765312_100000075025 [0,1,0,0,0,0|3,0,0]=4 5898 B12R0.434 CCCCCCCC(C)(C)OCC 34a_100121572206_200000046972 [0,1,0,0,0,0|1,0,1]=3 5899 B12R0.434 CCCCCCCC(C)(C)SCC 62a_100000210202_200000046972 [0,1,0,0,0,0|1,1,1]=4 5900 B12R0.434 CCCCCCCC(C)(C)SCC 62a_200000046972_100000210202 [0,1,0,0,0,0|1,1,1]=4 5901 B12R0.434 CCCCCCNS(=O)(=O)CCC 270084a_100000210581_100000211391 [0,1,0,0,0,0|3,0,0]=4 5902 B12R0.434 CCCCCCNS(=O)(=O)CCC 274078a_100000210581_100000211391 [0,1,0,0,0,0|3,0,0]=4 5903 B12R0.434 CCCCCCNS(=O)(=O)CCC 40a_100000210581_100000054278 [0,1,0,0,0,0|3,0,0]=4 5904 B12R0.434 CCCCCSC[Si](C)(C)OCC 62a_100000210326_200000065227 [0,1,0,0,0,0|2,1,0]=4 5905 B12R0.434 CCCCCSC[Si](C)(C)OCC 62a_200000065227_100000210326 [0,1,0,0,0,0|2,1,0]=4 5906 B12R0.434 CCCOCCC[Si](C)(C)OCC 34a_100000210258_100000070546 [0,1,0,0,0,0|2,1,0]=4 5907 B12R0.434 CCCSCCC[Si](C)(C)OCC 62a_100000070546_100000210303 [0,1,0,0,0,0|2,1,0]=4 5908 B12R0.434 CCCSCCC[Si](C)(C)OCC 62a_100000210303_100000070546 [0,1,0,0,0,0|2,1,0]=4 5909 B12R1.28 C#CCCCN1CCOC(=O)C1 2230a_100000131268_100000731252 [0,0,0,1,0,0|1,0,2]=4 5910 B12R1.28 C=CCCCN1CCOC(=O)C1 2230a_100000131268_100011713584 [0,0,0,1,0,0|1,0,2]=4 5911 B12R1.28 CC/C=C\CN1CCOC(=O)C1 2230a_100000131268_100103147603 [0,0,0,1,0,0|1,0,2]=4 5912 B12R1.28 CCC#CCN1CCOC(=O)C1 2230a_100000131268_100009813939 [0,0,0,1,0,0|1,0,2]=4 5913 B12R1.28 CCCCCN1CCC=C(C1)C 2230a_100000725631_100000210326 [0,0,0,1,0,0|3,0,0]=4 5914 B12R1.28 CCCCCN1CCC=C(C1)C 269982a_100000725631_100000210215 [0,0,0,1,0,0|3,0,0]=4 5915 B12R1.28 CCCCCN1CCC=C(C1)C 34a_100000725631_100000718602 [0,0,0,1,0,0|3,0,0]=4 5916 B12R1.28 CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210326 [0,0,0,1,0,0|2,0,0]=3 5917 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,0,0,1,0,0|1,0,0]=2 5918 B12R1.28 CCCCCN1CCOC(C1)C 2230a_100000729577_100000210326 [0,0,0,1,0,0|2,0,1]=4 5919 B12R1.28 CCCCCN1CCOC(C1)C 269982a_100000729577_100000210215 [0,0,0,1,0,0|2,0,1]=4 5920 B12R1.28 CCCCCN1CCOC(C1)C 34a_100000729577_100000718602 [0,0,0,1,0,0|2,0,1]=4 5921 B12R1.28 CCCCCN1CCOC(C1)O 2230a_100000688207_100000210326 [0,0,0,1,0,0|1,0,2]=4 5922 B12R1.28 CCCCCN1CCOC(C1)O 269982a_100000688207_100000210215 [0,0,0,1,0,0|1,0,2]=4 5923 B12R1.28 CCCCNC1CCNC(=O)C1 2230a_100016994916_100000210211 [0,0,0,1,0,0|2,0,0]=3 5924 B12R1.28 CCCCNC1CCNC(=O)C1 34a_100016994916_100000210210 [0,0,0,1,0,0|2,0,0]=3 5925 B12R1.28 CCCCNC1CCOC(C1)C 270004a_100000102301_100000755752 [0,0,0,1,0,0|2,0,1]=4 5926 B12R1.28 CCCCOC1CCCC(=O)C1 34a_100012613340_100000210210 [0,0,0,1,0,0|2,0,0]=3 5927 B12R1.28 CCCCOC1CCOC(C1)C 34a_100011986385_100000210210 [0,0,0,1,0,0|2,0,1]=4 5928 B12R1.28 CCCCOC1CCOC(C1)C 7a_100011986385_100000210211 [0,0,0,1,0,0|2,0,1]=4 5929 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210210 [0,0,0,1,0,0|2,0,0]=3 5930 B12R1.28 CCCOCC1CCCC(=O)N1 34a_200000102386_100000210303 [0,0,0,1,0,0|3,0,0]=4 5931 B12R1.28 CCCOCC1CCNC(=O)C1 34a_100009886756_100000210303 [0,0,0,1,0,0|2,0,0]=3 5932 B12R1.28 CCOCCN1CCNC(=O)C1 2230a_100000184651_100011215890 [0,0,0,1,0,0|3,0,0]=4 5933 B12R1.28 CCOCCN1CCOC(=O)C1 2230a_100000131268_100011215890 [0,0,0,1,0,0|2,0,0]=3 5934 B12R1.28 CCSCCN1CCNC(=O)C1 2230a_100000184651_100000757381 [0,0,0,1,0,0|3,0,0]=4 5935 B12R1.28 CCSCCN1CCOC(=O)C1 2230a_100000131268_100000757381 [0,0,0,1,0,0|2,0,0]=3 5936 B12R1.28 CNCCCN1CCNC(=O)C1 2230a_100000757908_200000210301 [0,0,0,1,0,0|3,0,0]=4 5937 B12R1.28 COCCCN1CCNC(=O)C1 2230a_100000184651_100000740836 [0,0,0,1,0,0|3,0,0]=4 5938 B12R1.28 COCCCN1CCOC(=O)C1 2230a_100000131268_100000740836 [0,0,0,1,0,0|2,0,0]=3 5939 B12R1.28 COCCNC1CCNC(=O)C1 2230a_100016994916_100011201679 [0,0,0,1,0,0|3,0,0]=4 5940 B12R1.28 COCCNC1CCNC(=O)C1 34a_100016994916_100011201679 [0,0,0,1,0,0|3,0,0]=4 5941 B12R1.28 COCCOC1CCCC(=O)C1 34a_100012613340_100011201679 [0,0,0,1,0,0|3,0,0]=4 5942 B12R1.28 COCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011201679 [0,0,0,1,0,0|3,0,0]=4 5943 B12R1.28 CSCCNC1CCNC(=O)C1 2230a_100016994916_100000751147 [0,0,0,1,0,0|3,0,0]=4 5944 B12R1.28 CSCCNC1CCNC(=O)C1 34a_100016994916_100000212216 [0,0,0,1,0,0|3,0,0]=4 5945 B12R1.28 CSCCOC1CCCC(=O)C1 34a_100012613340_100000212216 [0,0,0,1,0,0|3,0,0]=4 5946 B12R1.28 CSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000212216 [0,0,0,1,0,0|3,0,0]=4 5947 B12R1.28 CSCOCC1CCNC(=O)C1 34a_100009886756_100011218213 [0,0,0,1,0,0|3,0,0]=4 5948 B12R1.28 N#CCCCN1CCOC(=O)C1 2230a_100000131268_100000687738 [0,0,0,1,0,0|2,0,1]=4 5949 B12R1.28 O=C1CC(CCN1)COCCF 34a_100009886756_100011217306 [0,0,0,1,0,0|3,0,0]=4 5950 B12R1.28 O=C1CC(CCN1)COCCO 34a_100009886756_100000211926 [0,0,0,1,0,0|3,0,0]=4 5951 B12R1.28 O=C1CC(CCN1)NCCCF 2230a_100016994916_100011934791 [0,0,0,1,0,0|3,0,0]=4 5952 B12R1.28 O=C1CC(CCN1)NCCCF 34a_100016994916_100011934791 [0,0,0,1,0,0|3,0,0]=4 5953 B12R1.28 O=C1CC(CCN1)NCCCO 2230a_100016994916_100000230001 [0,0,0,1,0,0|3,0,0]=4 5954 B12R1.28 O=C1CC(CCN1)NCCCO 34a_100016994916_100000230001 [0,0,0,1,0,0|3,0,0]=4 5955 B12R1.28 O=C1CCCC(C1)OCCCF 34a_100012613340_100011934791 [0,0,0,1,0,0|3,0,0]=4 5956 B12R1.28 O=C1CCCC(C1)OCCCO 34a_100012613340_100000230001 [0,0,0,1,0,0|3,0,0]=4 5957 B12R1.28 O=C1CN(CCN1)CCCCF 2230a_100000184651_100000729493 [0,0,0,1,0,0|3,0,0]=4 5958 B12R1.28 O=C1CN(CCN1)CCCCO 2230a_100000184651_100000210776 [0,0,0,1,0,0|3,0,0]=4 5959 B12R1.28 O=C1CN(CCO1)CCCCF 2230a_100000131268_100000729493 [0,0,0,1,0,0|2,0,0]=3 5960 B12R1.28 O=C1CN(CCO1)CCCCO 2230a_100000131268_100000210776 [0,0,0,1,0,0|2,0,0]=3 5961 B12R1.28 O=C1C[C@@H](CCN1)OCCCF 34a_100015189427_100011934791 [0,0,0,1,0,0|3,0,0]=4 5962 B12R1.28 O=C1C[C@@H](CCN1)OCCCO 34a_100015189427_100000230001 [0,0,0,1,0,0|3,0,0]=4 5963 B12R1.28 O=CCCCN1CCOC(=O)C1 2230a_100000131268_200011292268 [0,0,0,1,0,0|2,0,1]=4 5964 B12R1.28 [13CH3]NCCCN1CCNC(=O)C1 2230a_100000757908_200025704644 [0,0,0,1,0,0|3,0,0]=4 5965 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100000211666_100000184674 [0,0,0,1,0,0|1,0,2]=4 5966 B12R1.32 C#CCC(=O)CC1CCCCC1 1458a_100011220946_100000211423 [0,0,0,1,0,0|1,0,2]=4 5967 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000210193_100000211423 [0,0,0,1,0,0|1,0,2]=4 5968 B12R1.32 C=CCC(=O)CC1CCCCC1 1458a_100000211666_100000210623 [0,0,0,1,0,0|1,0,2]=4 5969 B12R1.32 CC#CC(=O)CC1CCCCC1 1458a_100000763181_100000211423 [0,0,0,1,0,0|1,0,1]=3 5970 B12R1.32 CC#CC(=O)CC1CCCCO1 1458a_100000763181_100000211543 [0,0,0,1,0,0|2,0,1]=4 5971 B12R1.32 CC#CC(=O)CC1CCCOC1 1458a_100000763181_100000741521 [0,0,0,1,0,0|2,0,1]=4 5972 B12R1.32 CC#CC(=O)CC1CCOCC1 1458a_100000763181_100000754603 [0,0,0,1,0,0|2,0,1]=4 5973 B12R1.32 CC=CC(=O)CC1CCCCC1 1458a_100000210699_100000211423 [0,0,0,1,0,0|1,0,1]=3 5974 B12R1.32 CC=CC(=O)CC1CCCCO1 1458a_100000210699_100000211543 [0,0,0,1,0,0|2,0,1]=4 5975 B12R1.32 CC=CC(=O)CC1CCCOC1 1458a_100000210699_100000741521 [0,0,0,1,0,0|2,0,1]=4 5976 B12R1.32 CC=CC(=O)CC1CCOCC1 1458a_100000210699_100000754603 [0,0,0,1,0,0|2,0,1]=4 5977 B12R1.32 CC=CC(=O)NC1CCCCC1 11a_100000182618_100000210699 [0,0,0,1,0,0|2,0,1]=4 5978 B12R1.32 CC=CC(=O)NC1CCCCC1 1626a_100000182618_100000210699 [0,0,0,1,0,0|2,0,1]=4 5979 B12R1.32 CC=CC(=O)NC1CCCCC1 240690a_100000182618_100000210699 [0,0,0,1,0,0|2,0,1]=4 5980 B12R1.32 CCCC(=O)C=C1CCCCC1 1458a_100000743792_100000210303 [0,0,0,1,0,0|1,0,2]=4 5981 B12R1.32 CCCC(=O)CC1=CCCCC1 1458a_100000039269_100000210303 [0,0,0,1,0,0|1,0,2]=4 5982 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211666_100000210303 [0,0,0,1,0,0|1,0,0]=2 5983 B12R1.32 CCCC(=O)CC1CCCCC1 1458a_100000211992_100000211423 [0,0,0,1,0,0|1,0,0]=2 5984 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000211992_100000211543 [0,0,0,1,0,0|2,0,0]=3 5985 B12R1.32 CCCC(=O)CC1CCCCO1 1458a_100000238585_100000210303 [0,0,0,1,0,0|2,0,0]=3 5986 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000211992_100000741521 [0,0,0,1,0,0|2,0,0]=3 5987 B12R1.32 CCCC(=O)CC1CCCOC1 1458a_100000741523_100000210303 [0,0,0,1,0,0|2,0,0]=3 5988 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000211992_100000754603 [0,0,0,1,0,0|2,0,0]=3 5989 B12R1.32 CCCC(=O)CC1CCOCC1 1458a_100000757261_100000210303 [0,0,0,1,0,0|2,0,0]=3 5990 B12R1.32 CCCC(=O)CN1CCCCC1 1458a_100000740322_100000210303 [0,0,0,1,0,0|2,0,0]=3 5991 B12R1.32 CCCC(=O)CN1CCCOC1 2230a_100000131196_100000747444 [0,0,0,1,0,0|3,0,0]=4 5992 B12R1.32 CCCC(=O)CN1CCCOC1 269982a_100000131196_100000747444 [0,0,0,1,0,0|3,0,0]=4 5993 B12R1.32 CCCC(=O)CN1CCOCC1 1458a_100000740321_100000210303 [0,0,0,1,0,0|3,0,0]=4 5994 B12R1.32 CCCC(=O)CN1CCOCC1 2230a_100015191051_100000747444 [0,0,0,1,0,0|3,0,0]=4 5995 B12R1.32 CCCC(=O)CN1CCOCC1 269982a_100015191051_100000747444 [0,0,0,1,0,0|3,0,0]=4 5996 B12R1.32 CCCC(=O)CN1CCSCC1 2230a_100000737611_100000747444 [0,0,0,1,0,0|3,0,0]=4 5997 B12R1.32 CCCC(=O)CN1CCSCC1 269982a_100000737611_100000747444 [0,0,0,1,0,0|3,0,0]=4 5998 B12R1.32 CCCC(=O)NC1CCCCC1 11a_100000182618_100000211992 [0,0,0,1,0,0|2,0,0]=3 5999 B12R1.32 CCCC(=O)NC1CCCCC1 1626a_100000182618_100000211992 [0,0,0,1,0,0|2,0,0]=3 6000 B12R1.32 CCCC(=O)NC1CCCCC1 240690a_100000182618_100000211992 [0,0,0,1,0,0|2,0,0]=3 6001 B12R1.32 CCCC(=O)NC1CCCCC1 527a_100000182618_100000211992 [0,0,0,1,0,0|2,0,0]=3 6002 B12R1.32 CCCC(=O)NC1CCCOC1 11a_100000719290_100000211992 [0,0,0,1,0,0|3,0,0]=4 6003 B12R1.32 CCCC(=O)NC1CCCOC1 1626a_100000719290_100000211992 [0,0,0,1,0,0|3,0,0]=4 6004 B12R1.32 CCCC(=O)NC1CCCOC1 240690a_100000719290_100000211992 [0,0,0,1,0,0|3,0,0]=4 6005 B12R1.32 CCCC(=O)NC1CCCOC1 527a_100000719290_100000211992 [0,0,0,1,0,0|3,0,0]=4 6006 B12R1.32 CCCC(=O)NC1CCOCC1 11a_100000741149_100000211992 [0,0,0,1,0,0|3,0,0]=4 6007 B12R1.32 CCCC(=O)NC1CCOCC1 1626a_100000741149_100000211992 [0,0,0,1,0,0|3,0,0]=4 6008 B12R1.32 CCCC(=O)NC1CCOCC1 240690a_100000741149_100000211992 [0,0,0,1,0,0|3,0,0]=4 6009 B12R1.32 CCCC(=O)NC1CCOCC1 527a_100000741149_100000211992 [0,0,0,1,0,0|3,0,0]=4 6010 B12R1.32 CCCC(=O)NC1CCSCC1 11a_100000748639_100000211992 [0,0,0,1,0,0|3,0,0]=4 6011 B12R1.32 CCCC(=O)NC1CCSCC1 1626a_100000748639_100000211992 [0,0,0,1,0,0|3,0,0]=4 6012 B12R1.32 CCCC(=O)NC1CCSCC1 240690a_100000748639_100000211992 [0,0,0,1,0,0|3,0,0]=4 6013 B12R1.32 CCCC(=O)NC1CCSCC1 527a_100000748639_100000211992 [0,0,0,1,0,0|3,0,0]=4 6014 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000736448_100000210303 [0,0,0,1,0,0|3,0,0]=4 6015 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000743638_200000210301 [0,0,0,1,0,0|3,0,0]=4 6016 B12R1.32 CCCN(C)CC1CCCCC1 2230a_100000747261_100000211423 [0,0,0,1,0,0|3,0,0]=4 6017 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000736448_100000210303 [0,0,0,1,0,0|3,0,0]=4 6018 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000743638_200000210301 [0,0,0,1,0,0|3,0,0]=4 6019 B12R1.32 CCCN(C)CC1CCCCC1 269982a_100000747261_100000211423 [0,0,0,1,0,0|3,0,0]=4 6020 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000736448_100000210303 [0,0,0,1,0,0|3,0,0]=4 6021 B12R1.32 CCCN(C)CC1CCCCC1 34a_100000743638_200000210301 [0,0,0,1,0,0|3,0,0]=4 6022 B12R1.32 CCCN([13CH3])CC1CCCCC1 2230a_100000743638_200025704644 [0,0,0,1,0,0|3,0,0]=4 6023 B12R1.32 CCCN([13CH3])CC1CCCCC1 269982a_100000743638_200025704644 [0,0,0,1,0,0|3,0,0]=4 6024 B12R1.32 CCCN([13CH3])CC1CCCCC1 34a_100000743638_200025704644 [0,0,0,1,0,0|3,0,0]=4 6025 B12R1.32 CCNC(=O)C=C1CCCCC1 11a_100015525214_100000743792 [0,0,0,1,0,0|1,0,2]=4 6026 B12R1.32 CCNC(=O)C=C1CCCCC1 240690a_100015525214_100000743792 [0,0,0,1,0,0|1,0,2]=4 6027 B12R1.32 CCNC(=O)CC1=CCCCC1 11a_100015525214_100000039269 [0,0,0,1,0,0|1,0,2]=4 6028 B12R1.32 CCNC(=O)CC1=CCCCC1 240690a_100015525214_100000039269 [0,0,0,1,0,0|1,0,2]=4 6029 B12R1.32 CCNC(=O)CC1=CCCCC1 527a_100015525214_100000039269 [0,0,0,1,0,0|1,0,2]=4 6030 B12R1.32 CCNC(=O)CC1CCCCC1 11a_100015525214_100000211666 [0,0,0,1,0,0|1,0,0]=2 6031 B12R1.32 CCNC(=O)CC1CCCCC1 240690a_100015525214_100000211666 [0,0,0,1,0,0|1,0,0]=2 6032 B12R1.32 CCNC(=O)CC1CCCCC1 527a_100015525214_100000211666 [0,0,0,1,0,0|1,0,0]=2 6033 B12R1.32 CCNC(=O)CC1CCCCO1 11a_100015525214_100000238585 [0,0,0,1,0,0|2,0,0]=3 6034 B12R1.32 CCNC(=O)CC1CCCCO1 240690a_100015525214_100000238585 [0,0,0,1,0,0|2,0,0]=3 6035 B12R1.32 CCNC(=O)CC1CCCCO1 527a_100015525214_100000238585 [0,0,0,1,0,0|2,0,0]=3 6036 B12R1.32 CCNC(=O)CC1CCCOC1 11a_100015525214_100000741523 [0,0,0,1,0,0|2,0,0]=3 6037 B12R1.32 CCNC(=O)CC1CCCOC1 240690a_100015525214_100000741523 [0,0,0,1,0,0|2,0,0]=3 6038 B12R1.32 CCNC(=O)CC1CCCOC1 527a_100015525214_100000741523 [0,0,0,1,0,0|2,0,0]=3 6039 B12R1.32 CCNC(=O)CC1CCOCC1 11a_100015525214_100000757261 [0,0,0,1,0,0|2,0,0]=3 6040 B12R1.32 CCNC(=O)CC1CCOCC1 240690a_100015525214_100000757261 [0,0,0,1,0,0|2,0,0]=3 6041 B12R1.32 CCNC(=O)CC1CCOCC1 527a_100015525214_100000757261 [0,0,0,1,0,0|2,0,0]=3 6042 B12R1.32 CCNC(=O)CN1CCCCC1 11a_100015525214_100000740322 [0,0,0,1,0,0|2,0,0]=3 6043 B12R1.32 CCNC(=O)CN1CCCCC1 240690a_100015525214_100000740322 [0,0,0,1,0,0|2,0,0]=3 6044 B12R1.32 CCNC(=O)CN1CCCCC1 527a_100015525214_100000740322 [0,0,0,1,0,0|2,0,0]=3 6045 B12R1.32 CCNC(=O)CN1CCCOC1 2230a_100000131196_100000183381 [0,0,0,1,0,0|3,0,0]=4 6046 B12R1.32 CCNC(=O)CN1CCCOC1 269982a_100000131196_100000183381 [0,0,0,1,0,0|3,0,0]=4 6047 B12R1.32 CCNC(=O)CN1CCCOC1 34a_100000131196_100000183381 [0,0,0,1,0,0|3,0,0]=4 6048 B12R1.32 CCNC(=O)CN1CCOCC1 11a_100015525214_100000740321 [0,0,0,1,0,0|3,0,0]=4 6049 B12R1.32 CCNC(=O)CN1CCOCC1 2230a_100015191051_100000183381 [0,0,0,1,0,0|3,0,0]=4 6050 B12R1.32 CCNC(=O)CN1CCOCC1 240690a_100015525214_100000740321 [0,0,0,1,0,0|3,0,0]=4 6051 B12R1.32 CCNC(=O)CN1CCOCC1 269982a_100015191051_100000183381 [0,0,0,1,0,0|3,0,0]=4 6052 B12R1.32 CCNC(=O)CN1CCOCC1 34a_100015191051_100000183381 [0,0,0,1,0,0|3,0,0]=4 6053 B12R1.32 CCNC(=O)CN1CCOCC1 527a_100015525214_100000740321 [0,0,0,1,0,0|3,0,0]=4 6054 B12R1.32 CCNC(=O)CN1CCSCC1 2230a_100000737611_100000183381 [0,0,0,1,0,0|3,0,0]=4 6055 B12R1.32 CCNC(=O)CN1CCSCC1 269982a_100000737611_100000183381 [0,0,0,1,0,0|3,0,0]=4 6056 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100000182618_100015525214 [0,0,0,1,0,0|2,0,0]=3 6057 B12R1.32 CCNC(=O)NC1CCCCC1 2708a_100015525214_100000182618 [0,0,0,1,0,0|2,0,0]=3 6058 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100000182618_100015525214 [0,0,0,1,0,0|2,0,0]=3 6059 B12R1.32 CCNC(=O)NC1CCCCC1 273464a_100015525214_100000182618 [0,0,0,1,0,0|2,0,0]=3 6060 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100000719290_100015525214 [0,0,0,1,0,0|3,0,0]=4 6061 B12R1.32 CCNC(=O)NC1CCCOC1 2708a_100015525214_100000719290 [0,0,0,1,0,0|3,0,0]=4 6062 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100000719290_100015525214 [0,0,0,1,0,0|3,0,0]=4 6063 B12R1.32 CCNC(=O)NC1CCCOC1 273464a_100015525214_100000719290 [0,0,0,1,0,0|3,0,0]=4 6064 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100000719290_100015525214 [0,0,0,1,0,0|3,0,0]=4 6065 B12R1.32 CCNC(=O)NC1CCCOC1 512a_100015525214_100000719290 [0,0,0,1,0,0|3,0,0]=4 6066 B12R1.32 CCNC(=O)NC1CCOCC1 2708a_100000741149_100015525214 [0,0,0,1,0,0|3,0,0]=4 6067 B12R1.32 CCNC(=O)NC1CCOCC1 2708a_100015525214_100000741149 [0,0,0,1,0,0|3,0,0]=4 6068 B12R1.32 CCNC(=O)NC1CCOCC1 273464a_100000741149_100015525214 [0,0,0,1,0,0|3,0,0]=4 6069 B12R1.32 CCNC(=O)NC1CCOCC1 273464a_100015525214_100000741149 [0,0,0,1,0,0|3,0,0]=4 6070 B12R1.32 CCNC(=O)NC1CCOCC1 512a_100000741149_100015525214 [0,0,0,1,0,0|3,0,0]=4 6071 B12R1.32 CCNC(=O)NC1CCOCC1 512a_100015525214_100000741149 [0,0,0,1,0,0|3,0,0]=4 6072 B12R1.32 CCNC(=O)NC1CCSCC1 2708a_100000748639_100015525214 [0,0,0,1,0,0|3,0,0]=4 6073 B12R1.32 CCNC(=O)NC1CCSCC1 2708a_100015525214_100000748639 [0,0,0,1,0,0|3,0,0]=4 6074 B12R1.32 CCNC(=O)NC1CCSCC1 273464a_100000748639_100015525214 [0,0,0,1,0,0|3,0,0]=4 6075 B12R1.32 CCNC(=O)NC1CCSCC1 273464a_100015525214_100000748639 [0,0,0,1,0,0|3,0,0]=4 6076 B12R1.32 CCNC(=O)NC1CCSCC1 512a_100000748639_100015525214 [0,0,0,1,0,0|3,0,0]=4 6077 B12R1.32 CCNC(=O)NC1CCSCC1 512a_100015525214_100000748639 [0,0,0,1,0,0|3,0,0]=4 6078 B12R1.32 CCNC(C)CC1CCCCC1 270004a_100015525214_100011215996 [0,0,0,1,0,0|2,0,1]=4 6079 B12R1.32 CCOC(=O)CN1CC=CCC1 2230a_100000698166_100000188475 [0,0,0,1,0,0|1,0,2]=4 6080 B12R1.32 CCOC(=O)CN1CC=CCC1 269982a_100000698166_100000188475 [0,0,0,1,0,0|1,0,2]=4 6081 B12R1.32 CCOC(=O)CN1CC=CCC1 34a_100000698166_100000188475 [0,0,0,1,0,0|1,0,2]=4 6082 B12R1.32 CCOC(=O)CN1CCCOC1 2230a_100000131196_100000188475 [0,0,0,1,0,0|2,0,0]=3 6083 B12R1.32 CCOC(=O)CN1CCCOC1 269982a_100000131196_100000188475 [0,0,0,1,0,0|2,0,0]=3 6084 B12R1.32 CCOC(=O)CN1CCCOC1 34a_100000131196_100000188475 [0,0,0,1,0,0|2,0,0]=3 6085 B12R1.32 CCOC(=O)CN1CCOCC1 2230a_100015191051_100000188475 [0,0,0,1,0,0|2,0,0]=3 6086 B12R1.32 CCOC(=O)CN1CCOCC1 269982a_100015191051_100000188475 [0,0,0,1,0,0|2,0,0]=3 6087 B12R1.32 CCOC(=O)CN1CCOCC1 34a_100015191051_100000188475 [0,0,0,1,0,0|2,0,0]=3 6088 B12R1.32 CCOC(=O)CN1CCSCC1 2230a_100000737611_100000188475 [0,0,0,1,0,0|2,0,0]=3 6089 B12R1.32 CCOC(=O)CN1CCSCC1 269982a_100000737611_100000188475 [0,0,0,1,0,0|2,0,0]=3 6090 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_100015207117_200000210301 [0,0,0,1,0,0|3,0,0]=4 6091 B12R1.32 CNCC(=O)NC1CCCCC1 2230a_106832991635_100000183541 [0,0,0,1,0,0|3,0,0]=4 6092 B12R1.32 CNCC(=O)NC1CCCCC1 34a_100102657272_100000183541 [0,0,0,1,0,0|3,0,0]=4 6093 B12R1.32 CNCC(=O)NC1CCCCC1 7a_106832991635_100000183541 [0,0,0,1,0,0|3,0,0]=4 6094 B12R1.32 CNCC(=O)OC1CCCCC1 2230a_106832991635_100000041653 [0,0,0,1,0,0|3,0,0]=4 6095 B12R1.32 CNCC(=O)OC1CCCCC1 34a_100102657272_100000041653 [0,0,0,1,0,0|3,0,0]=4 6096 B12R1.32 CNCC(=O)OC1CCCCC1 7a_106832991635_100000041653 [0,0,0,1,0,0|3,0,0]=4 6097 B12R1.32 CNNC(=O)CC1CCCCC1 22a_100016993582_100000211666 [0,0,0,1,0,0|2,0,0]=3 6098 B12R1.32 CNNC(=O)CC1CCCCO1 22a_100016993582_100000238585 [0,0,0,1,0,0|3,0,0]=4 6099 B12R1.32 CNNC(=O)CC1CCCOC1 22a_100016993582_100000741523 [0,0,0,1,0,0|3,0,0]=4 6100 B12R1.32 CNNC(=O)CC1CCOCC1 22a_100016993582_100000757261 [0,0,0,1,0,0|3,0,0]=4 6101 B12R1.32 CNNC(=O)CN1CCCCC1 22a_100016993582_100000740322 [0,0,0,1,0,0|3,0,0]=4 6102 B12R1.32 CNNC(=O)NC1CCCCC1 273464a_100000182618_100016993582 [0,0,0,1,0,0|3,0,0]=4 6103 B12R1.32 COCC(=O)CC1CCCCC1 1458a_100000210968_100000211423 [0,0,0,1,0,0|2,0,0]=3 6104 B12R1.32 COCC(=O)CC1CCCCO1 1458a_100000210968_100000211543 [0,0,0,1,0,0|3,0,0]=4 6105 B12R1.32 COCC(=O)CC1CCCOC1 1458a_100000210968_100000741521 [0,0,0,1,0,0|3,0,0]=4 6106 B12R1.32 COCC(=O)CC1CCOCC1 1458a_100000210968_100000754603 [0,0,0,1,0,0|3,0,0]=4 6107 B12R1.32 COCC(=O)NC1CCCCC1 11a_100000182618_100000210968 [0,0,0,1,0,0|3,0,0]=4 6108 B12R1.32 COCC(=O)NC1CCCCC1 1626a_100000182618_100000210968 [0,0,0,1,0,0|3,0,0]=4 6109 B12R1.32 COCC(=O)NC1CCCCC1 240690a_100000182618_100000210968 [0,0,0,1,0,0|3,0,0]=4 6110 B12R1.32 COCC(=O)NC1CCCCC1 34a_100138415774_100000183541 [0,0,0,1,0,0|3,0,0]=4 6111 B12R1.32 COCC(=O)NC1CCCCC1 527a_100000182618_100000210968 [0,0,0,1,0,0|3,0,0]=4 6112 B12R1.32 COCC(=O)OC1CCCCC1 34a_100138415774_100000041653 [0,0,0,1,0,0|3,0,0]=4 6113 B12R1.32 CSCC(=O)CC1CCCCC1 1458a_100000184570_100000211423 [0,0,0,1,0,0|2,0,0]=3 6114 B12R1.32 CSCC(=O)CC1CCCCO1 1458a_100000184570_100000211543 [0,0,0,1,0,0|3,0,0]=4 6115 B12R1.32 CSCC(=O)CC1CCCOC1 1458a_100000184570_100000741521 [0,0,0,1,0,0|3,0,0]=4 6116 B12R1.32 CSCC(=O)CC1CCOCC1 1458a_100000184570_100000754603 [0,0,0,1,0,0|3,0,0]=4 6117 B12R1.32 CSCC(=O)NC1CCCCC1 11a_100000182618_100000184570 [0,0,0,1,0,0|3,0,0]=4 6118 B12R1.32 CSCC(=O)NC1CCCCC1 1626a_100000182618_100000184570 [0,0,0,1,0,0|3,0,0]=4 6119 B12R1.32 CSCC(=O)NC1CCCCC1 240690a_100000182618_100000184570 [0,0,0,1,0,0|3,0,0]=4 6120 B12R1.32 CSCC(=O)NC1CCCCC1 527a_100000182618_100000184570 [0,0,0,1,0,0|3,0,0]=4 6121 B12R1.32 CSCC(=O)NC1CCCCC1 62a_100000183541_200000210301 [0,0,0,1,0,0|3,0,0]=4 6122 B12R1.32 CSCC(=O)NC1CCCCC1 62a_200000210301_100000183541 [0,0,0,1,0,0|3,0,0]=4 6123 B12R1.32 CSCC(=O)OC1CCCCC1 62a_100000041653_200000210301 [0,0,0,1,0,0|3,0,0]=4 6124 B12R1.32 CSCC(=O)OC1CCCCC1 62a_200000210301_100000041653 [0,0,0,1,0,0|3,0,0]=4 6125 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100000211666_100011214920 [0,0,0,1,0,0|2,0,1]=4 6126 B12R1.32 N#CCC(=O)CC1CCCCC1 1458a_100051588842_100000211423 [0,0,0,1,0,0|2,0,1]=4 6127 B12R1.32 O=C(C=CBr)CC1CCCCC1 1458a_100016273825_100000211423 [0,0,0,1,0,0|2,0,1]=4 6128 B12R1.32 O=C(C=CCl)CC1CCCCC1 1458a_200016279998_100000211423 [0,0,0,1,0,0|2,0,1]=4 6129 B12R1.32 O=C(C=CI)CC1CCCCC1 1458a_100016256311_100000211423 [0,0,0,1,0,0|2,0,1]=4 6130 B12R1.32 O=C(CCF)CC1CCCCC1 1458a_100000211666_100011217306 [0,0,0,1,0,0|2,0,0]=3 6131 B12R1.32 O=C(CCF)CC1CCCCO1 1458a_100000238585_100011217306 [0,0,0,1,0,0|3,0,0]=4 6132 B12R1.32 O=C(CCF)CC1CCCOC1 1458a_100000741523_100011217306 [0,0,0,1,0,0|3,0,0]=4 6133 B12R1.32 O=C(CCF)CC1CCOCC1 1458a_100000757261_100011217306 [0,0,0,1,0,0|3,0,0]=4 6134 B12R1.32 O=C(CCF)CN1CCCCC1 1458a_100000740322_100011217306 [0,0,0,1,0,0|3,0,0]=4 6135 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100000211666_100000211926 [0,0,0,1,0,0|2,0,0]=3 6136 B12R1.32 O=C(CCO)CC1CCCCC1 1458a_100011216618_100000211423 [0,0,0,1,0,0|2,0,0]=3 6137 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100000238585_100000211926 [0,0,0,1,0,0|3,0,0]=4 6138 B12R1.32 O=C(CCO)CC1CCCCO1 1458a_100011216618_100000211543 [0,0,0,1,0,0|3,0,0]=4 6139 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100000741523_100000211926 [0,0,0,1,0,0|3,0,0]=4 6140 B12R1.32 O=C(CCO)CC1CCCOC1 1458a_100011216618_100000741521 [0,0,0,1,0,0|3,0,0]=4 6141 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100000757261_100000211926 [0,0,0,1,0,0|3,0,0]=4 6142 B12R1.32 O=C(CCO)CC1CCOCC1 1458a_100011216618_100000754603 [0,0,0,1,0,0|3,0,0]=4 6143 B12R1.32 O=C(CCO)CN1CCCCC1 1458a_100000740322_100000211926 [0,0,0,1,0,0|3,0,0]=4 6144 B12R1.32 O=C(CCO)NC1CCCCC1 240690a_100000182618_100011216618 [0,0,0,1,0,0|3,0,0]=4 6145 B12R1.32 [13CH3]NCC(=O)NC1CCCCC1 2230a_100015207117_200025704644 [0,0,0,1,0,0|3,0,0]=4 6146 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_100000183541_200025704644 [0,0,0,1,0,0|3,0,0]=4 6147 B12R1.32 [13CH3]SCC(=O)NC1CCCCC1 62a_200025704644_100000183541 [0,0,0,1,0,0|3,0,0]=4 6148 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_100000041653_200025704644 [0,0,0,1,0,0|3,0,0]=4 6149 B12R1.32 [13CH3]SCC(=O)OC1CCCCC1 62a_200025704644_100000041653 [0,0,0,1,0,0|3,0,0]=4 6150 B12R1.37 CCCCCCCN1CCCC1 2230a_100000188435_100000210681 [0,0,0,1,0,0|3,0,0]=4 6151 B12R1.37 CCCCCCCN1CCCC1 269982a_100000188435_100000210681 [0,0,0,1,0,0|3,0,0]=4 6152 B12R1.37 CCCCCCOC1CCCO1 34a_100000085407_100000210314 [0,0,0,1,0,0|2,0,1]=4 6153 B12R1.37 CCCCCNCC1CCCO1 2230a_100000209983_100000203698 [0,0,0,1,0,0|2,0,1]=4 6154 B12R1.37 CCCCCNCC1OCCO1 2230a_100000036311_100000210326 [0,0,0,1,0,0|1,0,2]=4 6155 B12R1.37 CCCCCNCC1OCCO1 2230a_100000209983_100000755774 [0,0,0,1,0,0|1,0,2]=4 6156 B12R1.37 CCCCCNCC1OCCO1 34a_100000036311_100000718602 [0,0,0,1,0,0|1,0,2]=4 6157 B12R1.37 CCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210326 [0,0,0,1,0,0|2,0,1]=4 6158 B12R1.37 CCCCCNC[C@@H]1CCCO1 34a_100020590478_100000718602 [0,0,0,1,0,0|2,0,1]=4 6159 B12R1.37 CCCCCOCC1=NCCN1 34a_100000210253_100000737910 [0,0,0,1,0,0|3,0,0]=4 6160 B12R1.37 CCCCCOCC1=NCCN1 7a_100000210253_100000737910 [0,0,0,1,0,0|3,0,0]=4 6161 B12R1.37 CCCCCOCC1CCCO1 34a_100000210270_100000718602 [0,0,0,1,0,0|2,0,1]=4 6162 B12R1.37 CCCCCOCC1CCCO1 7a_100000210253_100000203698 [0,0,0,1,0,0|2,0,1]=4 6163 B12R1.37 CCCCCOCC1CCCO1 7a_100000210270_100000210326 [0,0,0,1,0,0|2,0,1]=4 6164 B12R1.37 CCCCCOCC1OCCO1 34a_100000087154_100000718602 [0,0,0,1,0,0|1,0,2]=4 6165 B12R1.37 CCCCCOCC1OCCO1 34a_100000210253_100000755774 [0,0,0,1,0,0|1,0,2]=4 6166 B12R1.37 CCCCCOCC1OCCO1 7a_100000210253_100000755774 [0,0,0,1,0,0|1,0,2]=4 6167 B12R1.37 CCCCCSCC1=NCCN1 62a_100000210326_100000737910 [0,0,0,1,0,0|3,0,0]=4 6168 B12R1.37 CCCCCSCC1=NCCN1 62a_100000737910_100000210326 [0,0,0,1,0,0|3,0,0]=4 6169 B12R1.37 CCCCCSCC1CCCO1 62a_100000203698_100000210326 [0,0,0,1,0,0|2,0,1]=4 6170 B12R1.37 CCCCCSCC1CCCO1 62a_100000210326_100000203698 [0,0,0,1,0,0|2,0,1]=4 6171 B12R1.37 CCCCCSCC1OCCO1 62a_100000210326_100000755774 [0,0,0,1,0,0|1,0,2]=4 6172 B12R1.37 CCCCCSCC1OCCO1 62a_100000755774_100000210326 [0,0,0,1,0,0|1,0,2]=4 6173 B12R1.37 CCCCNCCC1OCCO1 2230a_100000034215_100000210211 [0,0,0,1,0,0|1,0,2]=4 6174 B12R1.37 CCCCNCCC1OCCO1 2230a_100000102301_100000740749 [0,0,0,1,0,0|1,0,2]=4 6175 B12R1.37 CCCCNCCC1OCCO1 34a_100000034215_100000210210 [0,0,0,1,0,0|1,0,2]=4 6176 B12R1.37 CCCCNCCC1OCCO1 7a_106832991798_100000740749 [0,0,0,1,0,0|1,0,2]=4 6177 B12R1.37 CCCCOCCC1OCCO1 34a_100000210227_100000740749 [0,0,0,1,0,0|1,0,2]=4 6178 B12R1.37 CCCCOCCC1OCCO1 7a_100000210227_100000740749 [0,0,0,1,0,0|1,0,2]=4 6179 B12R1.37 CCCCSCCC1OCCO1 62a_100000210211_100000740749 [0,0,0,1,0,0|1,0,2]=4 6180 B12R1.37 CCCOCCCC1OCCO1 34a_100000210258_100009861162 [0,0,0,1,0,0|1,0,2]=4 6181 B12R1.37 CCCOCCCC1OCCO1 34a_100009871617_100000210303 [0,0,0,1,0,0|1,0,2]=4 6182 B12R1.37 CCCOCCCC1OCCO1 7a_100009871617_100000210303 [0,0,0,1,0,0|1,0,2]=4 6183 B12R1.37 CCCSCCCC1OCCO1 62a_100000210303_100000042513 [0,0,0,1,0,0|1,0,2]=4 6184 B12R1.37 CCNCCCCC1OCCO1 2230a_100015525214_100000034956 [0,0,0,1,0,0|1,0,2]=4 6185 B12R1.37 CCOCCCCC1OCCO1 34a_100121572206_200009813554 [0,0,0,1,0,0|1,0,2]=4 6186 B12R1.37 CCSCCCCC1OCCO1 62a_100000210202_100000034956 [0,0,0,1,0,0|1,0,2]=4 6187 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100000211120_100000184674 [0,0,0,1,0,0|1,0,2]=4 6188 B12R1.51 C#CCC(=O)CCC1CCCC1 1458a_100011220946_100000760354 [0,0,0,1,0,0|1,0,2]=4 6189 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000210193_100000760354 [0,0,0,1,0,0|1,0,2]=4 6190 B12R1.51 C=CCC(=O)CCC1CCCC1 1458a_100000211120_100000210623 [0,0,0,1,0,0|1,0,2]=4 6191 B12R1.51 C=COC(=O)CNC1CCCC1 2230a_100000211070_100000036128 [0,0,0,1,0,0|1,0,2]=4 6192 B12R1.51 C=COC(=O)CNC1CCCC1 34a_100000211070_100000036128 [0,0,0,1,0,0|1,0,2]=4 6193 B12R1.51 C=COC(=O)COC1CCCC1 34a_100000210269_100000036128 [0,0,0,1,0,0|1,0,2]=4 6194 B12R1.51 C=COC(=O)CSC1CCCC1 62a_100000036128_100000179811 [0,0,0,1,0,0|1,0,2]=4 6195 B12R1.51 C=COC(=O)CSC1CCCC1 62a_100011217020_100000036128 [0,0,0,1,0,0|1,0,2]=4 6196 B12R1.51 CC#CC(=O)CCC1CCCC1 1458a_100000763181_100000760354 [0,0,0,1,0,0|1,0,1]=3 6197 B12R1.51 CC#CC(=O)CCN1CCCC1 1458a_100000763181_100000004467 [0,0,0,1,0,0|2,0,1]=4 6198 B12R1.51 CC=CC(=O)CCC1CCCC1 1458a_100000210699_100000760354 [0,0,0,1,0,0|1,0,1]=3 6199 B12R1.51 CC=CC(=O)CCN1CCCC1 1458a_100000210699_100000004467 [0,0,0,1,0,0|2,0,1]=4 6200 B12R1.51 CC=CC(=O)NCC1CCCC1 11a_100000737975_100000210699 [0,0,0,1,0,0|2,0,1]=4 6201 B12R1.51 CC=CC(=O)NCC1CCCC1 1626a_100000737975_100000210699 [0,0,0,1,0,0|2,0,1]=4 6202 B12R1.51 CC=CC(=O)NCC1CCCC1 240690a_100000737975_100000210699 [0,0,0,1,0,0|2,0,1]=4 6203 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211120_100000210303 [0,0,0,1,0,0|1,0,0]=2 6204 B12R1.51 CCCC(=O)CCC1CCCC1 1458a_100000211992_100000760354 [0,0,0,1,0,0|1,0,0]=2 6205 B12R1.51 CCCC(=O)CCC1CCCO1 1458a_100011247709_100000210303 [0,0,0,1,0,0|2,0,0]=3 6206 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000082924_100000210303 [0,0,0,1,0,0|3,0,0]=4 6207 B12R1.51 CCCC(=O)CCC1OCCO1 1458a_100000211992_100000740749 [0,0,0,1,0,0|3,0,0]=4 6208 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000211992_100000004467 [0,0,0,1,0,0|2,0,0]=3 6209 B12R1.51 CCCC(=O)CCN1CCCC1 1458a_100000738983_100000210303 [0,0,0,1,0,0|2,0,0]=3 6210 B12R1.51 CCCC(=O)CCN1CCCO1 1458a_200015187630_100000210303 [0,0,0,1,0,0|3,0,0]=4 6211 B12R1.51 CCCC(=O)CNC1CCCC1 2230a_100000211070_100000747444 [0,0,0,1,0,0|2,0,0]=3 6212 B12R1.51 CCCC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747444 [0,0,0,1,0,0|3,0,0]=4 6213 B12R1.51 CCCC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747444 [0,0,0,1,0,0|3,0,0]=4 6214 B12R1.51 CCCC(=O)COC1CCCC1 1458a_100000741352_100000210303 [0,0,0,1,0,0|2,0,0]=3 6215 B12R1.51 CCCC(=O)COC1CCCC1 7a_100000210269_100000747444 [0,0,0,1,0,0|2,0,0]=3 6216 B12R1.51 CCCC(=O)COC1CCSC1 7a_100011232664_100000747444 [0,0,0,1,0,0|3,0,0]=4 6217 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100000747444_100000179811 [0,0,0,1,0,0|2,0,0]=3 6218 B12R1.51 CCCC(=O)CSC1CCCC1 62a_100011217020_100000747444 [0,0,0,1,0,0|2,0,0]=3 6219 B12R1.51 CCCC(=O)CSC1CCOC1 62a_100000747444_100000690089 [0,0,0,1,0,0|3,0,0]=4 6220 B12R1.51 CCCC(=O)NCC1CCCC1 11a_100000737975_100000211992 [0,0,0,1,0,0|2,0,0]=3 6221 B12R1.51 CCCC(=O)NCC1CCCC1 1626a_100000737975_100000211992 [0,0,0,1,0,0|2,0,0]=3 6222 B12R1.51 CCCC(=O)NCC1CCCC1 240690a_100000737975_100000211992 [0,0,0,1,0,0|2,0,0]=3 6223 B12R1.51 CCCC(=O)NCC1CCCC1 527a_100000737975_100000211992 [0,0,0,1,0,0|2,0,0]=3 6224 B12R1.51 CCCC(=O)NCC1CCOC1 11a_100000737293_100000211992 [0,0,0,1,0,0|3,0,0]=4 6225 B12R1.51 CCCC(=O)NCC1CCOC1 1626a_100000737293_100000211992 [0,0,0,1,0,0|3,0,0]=4 6226 B12R1.51 CCCC(=O)NCC1CCOC1 240690a_100000737293_100000211992 [0,0,0,1,0,0|3,0,0]=4 6227 B12R1.51 CCCC(=O)NCC1CCOC1 527a_100000737293_100000211992 [0,0,0,1,0,0|3,0,0]=4 6228 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211992 [0,0,0,1,0,0|3,0,0]=4 6229 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211992 [0,0,0,1,0,0|3,0,0]=4 6230 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211992 [0,0,0,1,0,0|3,0,0]=4 6231 B12R1.51 CCCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211992 [0,0,0,1,0,0|3,0,0]=4 6232 B12R1.51 CCCC(=O)NNC1CCCC1 22a_100000737850_100000211992 [0,0,0,1,0,0|3,0,0]=4 6233 B12R1.51 CCCC(=O)OCN1CCCC1 2230a_100000188435_100000034017 [0,0,0,1,0,0|3,0,0]=4 6234 B12R1.51 CCCC(=O)OCN1CCCC1 269982a_100000188435_100000034017 [0,0,0,1,0,0|3,0,0]=4 6235 B12R1.51 CCCN(C)CCC1CCCC1 2230a_100000747261_100000760354 [0,0,0,1,0,0|3,0,0]=4 6236 B12R1.51 CCCN(C)CCC1CCCC1 269982a_100000747261_100000760354 [0,0,0,1,0,0|3,0,0]=4 6237 B12R1.51 CCNC(=O)CCC1CCCC1 11a_100015525214_100000211120 [0,0,0,1,0,0|1,0,0]=2 6238 B12R1.51 CCNC(=O)CCC1CCCC1 240690a_100015525214_100000211120 [0,0,0,1,0,0|1,0,0]=2 6239 B12R1.51 CCNC(=O)CCC1CCCC1 527a_100015525214_100000211120 [0,0,0,1,0,0|1,0,0]=2 6240 B12R1.51 CCNC(=O)CCC1CCCO1 11a_100015525214_100011247709 [0,0,0,1,0,0|2,0,0]=3 6241 B12R1.51 CCNC(=O)CCC1CCCO1 240690a_100015525214_100011247709 [0,0,0,1,0,0|2,0,0]=3 6242 B12R1.51 CCNC(=O)CCC1CCCO1 527a_100015525214_100011247709 [0,0,0,1,0,0|2,0,0]=3 6243 B12R1.51 CCNC(=O)CCN1CCCC1 2230a_100000188435_100000737597 [0,0,0,1,0,0|2,0,0]=3 6244 B12R1.51 CCNC(=O)CCN1CCCC1 240690a_100015525214_100000738983 [0,0,0,1,0,0|2,0,0]=3 6245 B12R1.51 CCNC(=O)CCN1CCCC1 269982a_100000188435_100000737597 [0,0,0,1,0,0|2,0,0]=3 6246 B12R1.51 CCNC(=O)CCN1CCCO1 240690a_100015525214_200015187630 [0,0,0,1,0,0|3,0,0]=4 6247 B12R1.51 CCNC(=O)CCN1CCSC1 2230a_100011215254_100000737597 [0,0,0,1,0,0|3,0,0]=4 6248 B12R1.51 CCNC(=O)CCN1CCSC1 269982a_100011215254_100000737597 [0,0,0,1,0,0|3,0,0]=4 6249 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100000211070_100000183381 [0,0,0,1,0,0|2,0,0]=3 6250 B12R1.51 CCNC(=O)CNC1CCCC1 2230a_100016988866_100000179811 [0,0,0,1,0,0|2,0,0]=3 6251 B12R1.51 CCNC(=O)CNC1CCCC1 270004a_100016988866_100000210133 [0,0,0,1,0,0|2,0,0]=3 6252 B12R1.51 CCNC(=O)CNC1CCCC1 34a_100000211070_100000183381 [0,0,0,1,0,0|2,0,0]=3 6253 B12R1.51 CCNC(=O)CNC1CCOC1 2230a_100016988866_100000731011 [0,0,0,1,0,0|3,0,0]=4 6254 B12R1.51 CCNC(=O)CNC1CCOC1 270004a_100016988866_100000752484 [0,0,0,1,0,0|3,0,0]=4 6255 B12R1.51 CCNC(=O)CNC1CCSC1 270004a_100016988866_100000212027 [0,0,0,1,0,0|3,0,0]=4 6256 B12R1.51 CCNC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000183381 [0,0,0,1,0,0|3,0,0]=4 6257 B12R1.51 CCNC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000183381 [0,0,0,1,0,0|3,0,0]=4 6258 B12R1.51 CCNC(=O)CN[C@H]1CCOC1 34a_100015188467_100000183381 [0,0,0,1,0,0|3,0,0]=4 6259 B12R1.51 CCNC(=O)COC1CCCC1 11a_100015525214_100000741352 [0,0,0,1,0,0|2,0,0]=3 6260 B12R1.51 CCNC(=O)COC1CCCC1 240690a_100015525214_100000741352 [0,0,0,1,0,0|2,0,0]=3 6261 B12R1.51 CCNC(=O)COC1CCCC1 34a_100000210269_100000183381 [0,0,0,1,0,0|2,0,0]=3 6262 B12R1.51 CCNC(=O)COC1CCCC1 527a_100015525214_100000741352 [0,0,0,1,0,0|2,0,0]=3 6263 B12R1.51 CCNC(=O)COC1CCCC1 7a_100000210269_100000183381 [0,0,0,1,0,0|2,0,0]=3 6264 B12R1.51 CCNC(=O)COC1CCCO1 34a_100000085407_100000183381 [0,0,0,1,0,0|3,0,0]=4 6265 B12R1.51 CCNC(=O)COC1CCSC1 7a_100011232664_100000183381 [0,0,0,1,0,0|3,0,0]=4 6266 B12R1.51 CCNC(=O)CO[C@H]1CCOC1 34a_100000717292_100000183381 [0,0,0,1,0,0|3,0,0]=4 6267 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100000183381_100000179811 [0,0,0,1,0,0|2,0,0]=3 6268 B12R1.51 CCNC(=O)CSC1CCCC1 62a_100011217020_100000183381 [0,0,0,1,0,0|2,0,0]=3 6269 B12R1.51 CCNC(=O)CSC1CCOC1 62a_100000183381_100000690089 [0,0,0,1,0,0|3,0,0]=4 6270 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100000737975_100015525214 [0,0,0,1,0,0|2,0,0]=3 6271 B12R1.51 CCNC(=O)NCC1CCCC1 2708a_100015525214_100000737975 [0,0,0,1,0,0|2,0,0]=3 6272 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100000737975_100015525214 [0,0,0,1,0,0|2,0,0]=3 6273 B12R1.51 CCNC(=O)NCC1CCCC1 273464a_100015525214_100000737975 [0,0,0,1,0,0|2,0,0]=3 6274 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100000737975_100015525214 [0,0,0,1,0,0|2,0,0]=3 6275 B12R1.51 CCNC(=O)NCC1CCCC1 512a_100015525214_100000737975 [0,0,0,1,0,0|2,0,0]=3 6276 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100000737293_100015525214 [0,0,0,1,0,0|3,0,0]=4 6277 B12R1.51 CCNC(=O)NCC1CCOC1 2708a_100015525214_100000737293 [0,0,0,1,0,0|3,0,0]=4 6278 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100000737293_100015525214 [0,0,0,1,0,0|3,0,0]=4 6279 B12R1.51 CCNC(=O)NCC1CCOC1 273464a_100015525214_100000737293 [0,0,0,1,0,0|3,0,0]=4 6280 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100000737293_100015525214 [0,0,0,1,0,0|3,0,0]=4 6281 B12R1.51 CCNC(=O)NCC1CCOC1 512a_100015525214_100000737293 [0,0,0,1,0,0|3,0,0]=4 6282 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100015525214_100020590478 [0,0,0,1,0,0|3,0,0]=4 6283 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 2708a_100020590478_100015525214 [0,0,0,1,0,0|3,0,0]=4 6284 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100015525214_100020590478 [0,0,0,1,0,0|3,0,0]=4 6285 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 273464a_100020590478_100015525214 [0,0,0,1,0,0|3,0,0]=4 6286 B12R1.51 CCNC(=O)NC[C@@H]1CCCO1 512a_100020590478_100015525214 [0,0,0,1,0,0|3,0,0]=4 6287 B12R1.51 CCNC(=O)NNC1CCCC1 273464a_100015525214_100000737850 [0,0,0,1,0,0|3,0,0]=4 6288 B12R1.51 CCNC(=O)NNC1CCCC1 512a_100015525214_100000737850 [0,0,0,1,0,0|3,0,0]=4 6289 B12R1.51 CCOC(=O)CCN1CC=CC1 269982a_100015195280_100011206558 [0,0,0,1,0,0|1,0,2]=4 6290 B12R1.51 CCOC(=O)CCN1CCCC1 2230a_100000188435_100011206558 [0,0,0,1,0,0|1,0,0]=2 6291 B12R1.51 CCOC(=O)CCN1CCCC1 269982a_100000188435_100011206558 [0,0,0,1,0,0|1,0,0]=2 6292 B12R1.51 CCOC(=O)CCN1CCSC1 2230a_100011215254_100011206558 [0,0,0,1,0,0|2,0,0]=3 6293 B12R1.51 CCOC(=O)CCN1CCSC1 269982a_100011215254_100011206558 [0,0,0,1,0,0|2,0,0]=3 6294 B12R1.51 CCOC(=O)CNC1CC=CC1 2230a_100015188752_100000188475 [0,0,0,1,0,0|1,0,2]=4 6295 B12R1.51 CCOC(=O)CNC1CCCC1 2230a_100000211070_100000188475 [0,0,0,1,0,0|1,0,0]=2 6296 B12R1.51 CCOC(=O)CNC1CCCC1 34a_100000211070_100000188475 [0,0,0,1,0,0|1,0,0]=2 6297 B12R1.51 CCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000188475 [0,0,0,1,0,0|2,0,0]=3 6298 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000188475 [0,0,0,1,0,0|2,0,0]=3 6299 B12R1.51 CCOC(=O)CN[C@H]1CCOC1 34a_100015188467_100000188475 [0,0,0,1,0,0|2,0,0]=3 6300 B12R1.51 CCOC(=O)COC1CCCC1 34a_100000210269_100000188475 [0,0,0,1,0,0|1,0,0]=2 6301 B12R1.51 CCOC(=O)COC1CCCC1 7a_100000210269_100000188475 [0,0,0,1,0,0|1,0,0]=2 6302 B12R1.51 CCOC(=O)COC1CCCO1 34a_100000085407_100000188475 [0,0,0,1,0,0|2,0,0]=3 6303 B12R1.51 CCOC(=O)COC1CCSC1 7a_100011232664_100000188475 [0,0,0,1,0,0|2,0,0]=3 6304 B12R1.51 CCOC(=O)CO[C@H]1CCOC1 34a_100000717292_100000188475 [0,0,0,1,0,0|2,0,0]=3 6305 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100000188475_100000179811 [0,0,0,1,0,0|1,0,0]=2 6306 B12R1.51 CCOC(=O)CSC1CCCC1 62a_100011217020_100000188475 [0,0,0,1,0,0|1,0,0]=2 6307 B12R1.51 CCOC(=O)CSC1CCOC1 62a_100000188475_100000690089 [0,0,0,1,0,0|2,0,0]=3 6308 B12R1.51 CNNC(=O)CCC1CCCC1 22a_100016993582_100000211120 [0,0,0,1,0,0|2,0,0]=3 6309 B12R1.51 CNNC(=O)CCC1CCCO1 22a_100016993582_100011247709 [0,0,0,1,0,0|3,0,0]=4 6310 B12R1.51 CNNC(=O)CCN1CCCC1 22a_100016993582_100000738983 [0,0,0,1,0,0|3,0,0]=4 6311 B12R1.51 CNNC(=O)COC1CCCC1 22a_100016993582_100000741352 [0,0,0,1,0,0|3,0,0]=4 6312 B12R1.51 CNNC(=O)NCC1CCCC1 273464a_100000737975_100016993582 [0,0,0,1,0,0|3,0,0]=4 6313 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100000737975_100016993582 [0,0,0,1,0,0|3,0,0]=4 6314 B12R1.51 CNNC(=O)NCC1CCCC1 512a_100016993582_100000737975 [0,0,0,1,0,0|3,0,0]=4 6315 B12R1.51 COCC(=O)CCC1CCCC1 1458a_100000210968_100000760354 [0,0,0,1,0,0|2,0,0]=3 6316 B12R1.51 COCC(=O)CCN1CCCC1 1458a_100000210968_100000004467 [0,0,0,1,0,0|3,0,0]=4 6317 B12R1.51 COCC(=O)NCC1CCCC1 11a_100000737975_100000210968 [0,0,0,1,0,0|3,0,0]=4 6318 B12R1.51 COCC(=O)NCC1CCCC1 1626a_100000737975_100000210968 [0,0,0,1,0,0|3,0,0]=4 6319 B12R1.51 COCC(=O)NCC1CCCC1 240690a_100000737975_100000210968 [0,0,0,1,0,0|3,0,0]=4 6320 B12R1.51 COCC(=O)NCC1CCCC1 527a_100000737975_100000210968 [0,0,0,1,0,0|3,0,0]=4 6321 B12R1.51 CSCC(=O)CCC1CCCC1 1458a_100000184570_100000760354 [0,0,0,1,0,0|2,0,0]=3 6322 B12R1.51 CSCC(=O)CCN1CCCC1 1458a_100000184570_100000004467 [0,0,0,1,0,0|3,0,0]=4 6323 B12R1.51 CSCC(=O)NCC1CCCC1 11a_100000737975_100000184570 [0,0,0,1,0,0|3,0,0]=4 6324 B12R1.51 CSCC(=O)NCC1CCCC1 1626a_100000737975_100000184570 [0,0,0,1,0,0|3,0,0]=4 6325 B12R1.51 CSCC(=O)NCC1CCCC1 240690a_100000737975_100000184570 [0,0,0,1,0,0|3,0,0]=4 6326 B12R1.51 CSCC(=O)NCC1CCCC1 527a_100000737975_100000184570 [0,0,0,1,0,0|3,0,0]=4 6327 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100000211120_100011214920 [0,0,0,1,0,0|2,0,1]=4 6328 B12R1.51 N#CCC(=O)CCC1CCCC1 1458a_100051588842_100000760354 [0,0,0,1,0,0|2,0,1]=4 6329 B12R1.51 O=C(C=CBr)CCC1CCCC1 1458a_100016273825_100000760354 [0,0,0,1,0,0|2,0,1]=4 6330 B12R1.51 O=C(C=CCl)CCC1CCCC1 1458a_200016279998_100000760354 [0,0,0,1,0,0|2,0,1]=4 6331 B12R1.51 O=C(C=CI)CCC1CCCC1 1458a_100016256311_100000760354 [0,0,0,1,0,0|2,0,1]=4 6332 B12R1.51 O=C(CCF)CCC1CCCC1 1458a_100000211120_100011217306 [0,0,0,1,0,0|2,0,0]=3 6333 B12R1.51 O=C(CCF)CCC1CCCO1 1458a_100011247709_100011217306 [0,0,0,1,0,0|3,0,0]=4 6334 B12R1.51 O=C(CCF)CCN1CCCC1 1458a_100000738983_100011217306 [0,0,0,1,0,0|3,0,0]=4 6335 B12R1.51 O=C(CCF)COC1CCCC1 1458a_100000741352_100011217306 [0,0,0,1,0,0|3,0,0]=4 6336 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100000211120_100000211926 [0,0,0,1,0,0|2,0,0]=3 6337 B12R1.51 O=C(CCO)CCC1CCCC1 1458a_100011216618_100000760354 [0,0,0,1,0,0|2,0,0]=3 6338 B12R1.51 O=C(CCO)CCC1CCCO1 1458a_100011247709_100000211926 [0,0,0,1,0,0|3,0,0]=4 6339 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100000738983_100000211926 [0,0,0,1,0,0|3,0,0]=4 6340 B12R1.51 O=C(CCO)CCN1CCCC1 1458a_100011216618_100000004467 [0,0,0,1,0,0|3,0,0]=4 6341 B12R1.51 O=C(CCO)COC1CCCC1 1458a_100000741352_100000211926 [0,0,0,1,0,0|3,0,0]=4 6342 B12R1.51 O=C(CCO)NCC1CCCC1 240690a_100000737975_100011216618 [0,0,0,1,0,0|3,0,0]=4 6343 B12R1.51 O=C(CNC1CCCC1)NCO 2230a_100000211070_100000185155 [0,0,0,1,0,0|3,0,0]=4 6344 B12R1.51 O=C(CNC1CCCC1)NCO 34a_100000211070_100000185155 [0,0,0,1,0,0|3,0,0]=4 6345 B12R1.51 O=C(COC1CCCC1)NCO 34a_100000210269_100000185155 [0,0,0,1,0,0|3,0,0]=4 6346 B12R1.51 O=C(COC1CCCC1)NCO 7a_100000210269_100000185155 [0,0,0,1,0,0|3,0,0]=4 6347 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100000185155_100000179811 [0,0,0,1,0,0|3,0,0]=4 6348 B12R1.51 O=C(CSC1CCCC1)NCO 62a_100011217020_100000185155 [0,0,0,1,0,0|3,0,0]=4 6349 B12R1.62 CCCCCCCN1CC(C1)C 2230a_100000702820_100000210681 [0,0,0,1,0,0|3,0,0]=4 6350 B12R1.62 CCCCCCCN1CC(C1)C 269982a_100000702820_100000210681 [0,0,0,1,0,0|3,0,0]=4 6351 B12R1.62 CCCCCCCN1CC(C1)C 34a_100000702820_100000210614 [0,0,0,1,0,0|3,0,0]=4 6352 B12R1.69 CCNCC1CCC(=CC1C)C 269862a_100015525214_100000075207 [0,0,0,1,0,0|3,0,0]=4 6353 B12R1.173 CCCN1CCCCCCCC1 2230a_100000039187_100000210303 [0,0,0,1,0,0|3,0,0]=4 6354 B12R1.173 CCCN1CCCCCCCC1 269982a_100000039187_100000210303 [0,0,0,1,0,0|3,0,0]=4 6355 B12R1.173 CCCN1CCCCCCCC1 34a_100000039187_100000210303 [0,0,0,1,0,0|3,0,0]=4 6356 B12R1.173 CCNC1CCCCCCCC1 270004a_100015525214_100000038600 [0,0,0,1,0,0|2,0,1]=4 6357 B12R1.278 CCCN1CCCC(C1)OCC 2230a_100000745229_100000210303 [0,0,0,1,0,0|2,0,1]=4 6358 B12R1.278 CCCN1CCCC(C1)OCC 269982a_100000745229_100000210303 [0,0,0,1,0,0|2,0,1]=4 6359 B12R1.278 CCCN1CCCC(C1)OCC 34a_100000745229_100000210303 [0,0,0,1,0,0|2,0,1]=4 6360 B12R1.308 C#CCC(=O)C1CCCCC1C 1458a_100011215568_100000184674 [0,0,0,1,0,0|1,0,2]=4 6361 B12R1.308 C=CCC(=O)C1CCCCC1C 1458a_100011215568_100000210623 [0,0,0,1,0,0|1,0,2]=4 6362 B12R1.308 CC1CCCCC1C(=O)CC#N 1458a_100011215568_100011214920 [0,0,0,1,0,0|2,0,1]=4 6363 B12R1.308 CC1CCCCC1C(=O)CCF 1458a_100011215568_100011217306 [0,0,0,1,0,0|2,0,0]=3 6364 B12R1.308 CC1CCCCC1C(=O)CCO 1458a_100011215568_100000211926 [0,0,0,1,0,0|2,0,0]=3 6365 B12R1.308 CC1CCCCN1C(=O)CCO 240690a_100000211376_100011216618 [0,0,0,1,0,0|3,0,0]=4 6366 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_100000182743_200025704644 [0,0,0,1,0,0|3,0,0]=4 6367 B12R1.308 CC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000182743 [0,0,0,1,0,0|3,0,0]=4 6368 B12R1.308 CC=CC(=O)N1CCCCC1C 11a_100000211376_100000210699 [0,0,0,1,0,0|2,0,1]=4 6369 B12R1.308 CC=CC(=O)N1CCCCC1C 1626a_100000211376_100000210699 [0,0,0,1,0,0|2,0,1]=4 6370 B12R1.308 CC=CC(=O)N1CCCCC1C 240690a_100000211376_100000210699 [0,0,0,1,0,0|2,0,1]=4 6371 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,0,0,1,0,0|2,0,1]=4 6372 B12R1.308 CCCC(=O)C1CCCCC1C 1458a_100011215568_100000210303 [0,0,0,1,0,0|1,0,0]=2 6373 B12R1.308 CCCC(=O)C1CCCCC1O 1458a_100011803323_100000210303 [0,0,0,1,0,0|2,0,0]=3 6374 B12R1.308 CCCC(=O)N1CCCCC1C 11a_100000211376_100000211992 [0,0,0,1,0,0|2,0,0]=3 6375 B12R1.308 CCCC(=O)N1CCCCC1C 1626a_100000211376_100000211992 [0,0,0,1,0,0|2,0,0]=3 6376 B12R1.308 CCCC(=O)N1CCCCC1C 240690a_100000211376_100000211992 [0,0,0,1,0,0|2,0,0]=3 6377 B12R1.308 CCCC(=O)N1CCCCC1C 527a_100000211376_100000211992 [0,0,0,1,0,0|2,0,0]=3 6378 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211992 [0,0,0,1,0,0|3,0,0]=4 6379 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211992 [0,0,0,1,0,0|3,0,0]=4 6380 B12R1.308 CCCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211992 [0,0,0,1,0,0|3,0,0]=4 6381 B12R1.308 CCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210303 [0,0,0,1,0,0|2,0,0]=3 6382 B12R1.308 CCCN(C)C1CCCCC1C 270004a_100000747261_100000210921 [0,0,0,1,0,0|3,0,0]=4 6383 B12R1.308 CCNC(=O)C1CCCCC1C 11a_100015525214_100011215568 [0,0,0,1,0,0|1,0,0]=2 6384 B12R1.308 CCNC(=O)C1CCCCC1C 240690a_100015525214_100011215568 [0,0,0,1,0,0|1,0,0]=2 6385 B12R1.308 CCNC(=O)C1CCCCC1C 527a_100015525214_100011215568 [0,0,0,1,0,0|1,0,0]=2 6386 B12R1.308 CCNC(=O)N1CCCCC1C 2708a_100015525214_100000211376 [0,0,0,1,0,0|2,0,0]=3 6387 B12R1.308 CCNC(=O)N1CCCCC1C 273464a_100015525214_100000211376 [0,0,0,1,0,0|2,0,0]=3 6388 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 2708a_100015525214_100009815349 [0,0,0,1,0,0|3,0,0]=4 6389 B12R1.308 CCNC(=O)N1CCOC[C@@H]1C 273464a_100015525214_100009815349 [0,0,0,1,0,0|3,0,0]=4 6390 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 11a_100015525214_100000767060 [0,0,0,1,0,0|2,0,0]=3 6391 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 240690a_100015525214_100000767060 [0,0,0,1,0,0|2,0,0]=3 6392 B12R1.308 CCNC(=O)[C@H]1CCCCN1C 527a_100015525214_100000767060 [0,0,0,1,0,0|2,0,0]=3 6393 B12R1.308 CCOC(=O)C1CCCCN1C 2230a_100016990872_200000210301 [0,0,0,1,0,0|1,0,0]=2 6394 B12R1.308 CCOC(=O)C1CCCCN1C 269982a_100016990872_200000210301 [0,0,0,1,0,0|1,0,0]=2 6395 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 2230a_100016990872_200025704644 [0,0,0,1,0,0|1,0,0]=2 6396 B12R1.308 CCOC(=O)C1CCCCN1[13CH3] 269982a_100016990872_200025704644 [0,0,0,1,0,0|1,0,0]=2 6397 B12R1.308 CCOC(=O)C1CSCCN1C 2230a_100000735462_200000210301 [0,0,0,1,0,0|2,0,0]=3 6398 B12R1.308 CCOC(=O)C1CSCCN1C 269982a_100000735462_200000210301 [0,0,0,1,0,0|2,0,0]=3 6399 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 2230a_100000735462_200025704644 [0,0,0,1,0,0|2,0,0]=3 6400 B12R1.308 CCOC(=O)C1CSCCN1[13CH3] 269982a_100000735462_200025704644 [0,0,0,1,0,0|2,0,0]=3 6401 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 2230a_100015229691_200000210301 [0,0,0,1,0,0|2,0,0]=3 6402 B12R1.308 CCOC(=O)[C@@H]1COCCN1C 269982a_100015229691_200000210301 [0,0,0,1,0,0|2,0,0]=3 6403 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 2230a_100015229691_200025704644 [0,0,0,1,0,0|2,0,0]=3 6404 B12R1.308 CCOC(=O)[C@@H]1COCCN1[13CH3] 269982a_100015229691_200025704644 [0,0,0,1,0,0|2,0,0]=3 6405 B12R1.308 CN1CCCC[C@@H]1C(=O)CCF 1458a_100000767060_100011217306 [0,0,0,1,0,0|3,0,0]=4 6406 B12R1.308 CN1CCCC[C@@H]1C(=O)CCO 1458a_100000767060_100000211926 [0,0,0,1,0,0|3,0,0]=4 6407 B12R1.308 CNCC(=O)N1CCCCC1C 2230a_106832991635_100000182743 [0,0,0,1,0,0|3,0,0]=4 6408 B12R1.308 CNCC(=O)N1CCCCC1C 34a_100102657272_100000182743 [0,0,0,1,0,0|3,0,0]=4 6409 B12R1.308 CNCC(=O)N1CCCCC1C 7a_106832991635_100000182743 [0,0,0,1,0,0|3,0,0]=4 6410 B12R1.308 CNNC(=O)C1CCCCC1C 22a_100016993582_100011215568 [0,0,0,1,0,0|2,0,0]=3 6411 B12R1.308 CNNC(=O)C1CCCCC1O 22a_100016993582_100011803323 [0,0,0,1,0,0|3,0,0]=4 6412 B12R1.308 CNNC(=O)[C@H]1CCCCN1C 22a_100016993582_100000767060 [0,0,0,1,0,0|3,0,0]=4 6413 B12R1.308 COCC(=O)N1CCCCC1C 11a_100000211376_100000210968 [0,0,0,1,0,0|3,0,0]=4 6414 B12R1.308 COCC(=O)N1CCCCC1C 1626a_100000211376_100000210968 [0,0,0,1,0,0|3,0,0]=4 6415 B12R1.308 COCC(=O)N1CCCCC1C 240690a_100000211376_100000210968 [0,0,0,1,0,0|3,0,0]=4 6416 B12R1.308 COCC(=O)N1CCCCC1C 34a_100138415774_100000182743 [0,0,0,1,0,0|3,0,0]=4 6417 B12R1.308 COCC(=O)N1CCCCC1C 527a_100000211376_100000210968 [0,0,0,1,0,0|3,0,0]=4 6418 B12R1.308 CSCC(=O)N1CCCCC1C 11a_100000211376_100000184570 [0,0,0,1,0,0|3,0,0]=4 6419 B12R1.308 CSCC(=O)N1CCCCC1C 1626a_100000211376_100000184570 [0,0,0,1,0,0|3,0,0]=4 6420 B12R1.308 CSCC(=O)N1CCCCC1C 240690a_100000211376_100000184570 [0,0,0,1,0,0|3,0,0]=4 6421 B12R1.308 CSCC(=O)N1CCCCC1C 527a_100000211376_100000184570 [0,0,0,1,0,0|3,0,0]=4 6422 B12R1.308 CSCC(=O)N1CCCCC1C 62a_100000182743_200000210301 [0,0,0,1,0,0|3,0,0]=4 6423 B12R1.308 CSCC(=O)N1CCCCC1C 62a_200000210301_100000182743 [0,0,0,1,0,0|3,0,0]=4 6424 B12R1.308 O=C(CCF)C1CCCCC1O 1458a_100011803323_100011217306 [0,0,0,1,0,0|3,0,0]=4 6425 B12R1.308 O=C(CCO)C1CCCCC1O 1458a_100011803323_100000211926 [0,0,0,1,0,0|3,0,0]=4 6426 B12R1.310 C=COC(=O)CNCCC1CC1 34a_100000764129_100000036128 [0,0,0,1,0,0|1,0,2]=4 6427 B12R1.310 C=COC(=O)COCCC1CC1 34a_100000754188_100000036128 [0,0,0,1,0,0|1,0,2]=4 6428 B12R1.310 C=COC(=O)CSCCC1CC1 62a_100000036128_100000764125 [0,0,0,1,0,0|1,0,2]=4 6429 B12R1.310 C=COC(=O)CSCCC1CC1 62a_100000764125_100000036128 [0,0,0,1,0,0|1,0,2]=4 6430 B12R1.310 CCCC(=O)COCCC1CC1 7a_100000754188_100000747444 [0,0,0,1,0,0|2,0,0]=3 6431 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000747444_100000764125 [0,0,0,1,0,0|2,0,0]=3 6432 B12R1.310 CCCC(=O)CSCCC1CC1 62a_100000764125_100000747444 [0,0,0,1,0,0|2,0,0]=3 6433 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000732470_100000747444 [0,0,0,1,0,0|3,0,0]=4 6434 B12R1.310 CCCC(=O)CSCCC1CO1 62a_100000747444_100000732470 [0,0,0,1,0,0|3,0,0]=4 6435 B12R1.310 CCCC(=O)OCNCC1CC1 2230a_100000735609_100000034017 [0,0,0,1,0,0|3,0,0]=4 6436 B12R1.310 CCCC(=O)OCNCC1CC1 34a_100000735609_100000034017 [0,0,0,1,0,0|3,0,0]=4 6437 B12R1.310 CCCC(=O)OCOCC1CC1 34a_100000211283_100000034017 [0,0,0,1,0,0|3,0,0]=4 6438 B12R1.310 CCCC(=O)OCSCC1CC1 62a_100000756562_100000034017 [0,0,0,1,0,0|3,0,0]=4 6439 B12R1.310 CCNC(=O)CCNCC1CC1 2230a_100000735609_100000737597 [0,0,0,1,0,0|2,0,0]=3 6440 B12R1.310 CCNC(=O)CCNCC1CC1 269862a_100025743525_100000741477 [0,0,0,1,0,0|2,0,0]=3 6441 B12R1.310 CCNC(=O)CCNCC1CC1 34a_100025743525_100000742324 [0,0,0,1,0,0|2,0,0]=3 6442 B12R1.310 CCNC(=O)CCNCC1CO1 34a_100025743525_102125554688 [0,0,0,1,0,0|3,0,0]=4 6443 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000737597_100000742324 [0,0,0,1,0,0|2,0,0]=3 6444 B12R1.310 CCNC(=O)CCSCC1CC1 62a_100000756562_100000737597 [0,0,0,1,0,0|2,0,0]=3 6445 B12R1.310 CCNC(=O)CCSCC1CO1 62a_100000737597_102125554688 [0,0,0,1,0,0|3,0,0]=4 6446 B12R1.310 CCNC(=O)CCSCC1CO1 62a_102125554688_100000737597 [0,0,0,1,0,0|3,0,0]=4 6447 B12R1.310 CCNC(=O)CCSCC1CS1 62a_100000031435_100000737597 [0,0,0,1,0,0|3,0,0]=4 6448 B12R1.310 CCNC(=O)CCSCC1CS1 62a_100000737597_100000031435 [0,0,0,1,0,0|3,0,0]=4 6449 B12R1.310 CCNC(=O)CCSC[C@@H]1CO1 62a_100000737597_100000745022 [0,0,0,1,0,0|3,0,0]=4 6450 B12R1.310 CCNC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000737597 [0,0,0,1,0,0|3,0,0]=4 6451 B12R1.310 CCNC(=O)CNCCC1CC1 2230a_100016988866_100000694398 [0,0,0,1,0,0|2,0,0]=3 6452 B12R1.310 CCNC(=O)CNCCC1CC1 34a_100000764129_100000183381 [0,0,0,1,0,0|2,0,0]=3 6453 B12R1.310 CCNC(=O)CNCCC1CO1 2230a_100016988866_100000732470 [0,0,0,1,0,0|3,0,0]=4 6454 B12R1.310 CCNC(=O)COCCC1CC1 34a_100000754188_100000183381 [0,0,0,1,0,0|2,0,0]=3 6455 B12R1.310 CCNC(=O)COCCC1CC1 7a_100000754188_100000183381 [0,0,0,1,0,0|2,0,0]=3 6456 B12R1.310 CCNC(=O)COCC[C@@H]1CO1 34a_100009820653_100000183381 [0,0,0,1,0,0|3,0,0]=4 6457 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000183381_100000764125 [0,0,0,1,0,0|2,0,0]=3 6458 B12R1.310 CCNC(=O)CSCCC1CC1 62a_100000764125_100000183381 [0,0,0,1,0,0|2,0,0]=3 6459 B12R1.310 CCNC(=O)CSCCC1CO1 62a_100000183381_100000732470 [0,0,0,1,0,0|3,0,0]=4 6460 B12R1.310 CCNC(=O)CSCCC1CO1 62a_100000732470_100000183381 [0,0,0,1,0,0|3,0,0]=4 6461 B12R1.310 CCOC(=O)/C=C/CNC1CC1 34a_100000212008_100016267167 [0,0,0,1,0,0|1,0,2]=4 6462 B12R1.310 CCOC(=O)/C=C/CSC1CC1 62a_100016267167_100000211595 [0,0,0,1,0,0|1,0,2]=4 6463 B12R1.310 CCOC(=O)C=NNCC1CC1 4a_100000736359_100000742314 [0,0,0,1,0,0|2,0,1]=4 6464 B12R1.310 CCOC(=O)CCCNC1CC1 34a_100000212008_100009991533 [0,0,0,1,0,0|1,0,0]=2 6465 B12R1.310 CCOC(=O)CCCSC1CC1 62a_100009991533_100000211595 [0,0,0,1,0,0|1,0,0]=2 6466 B12R1.310 CCOC(=O)CCNCC1CC1 2230a_100000735609_100011206558 [0,0,0,1,0,0|1,0,0]=2 6467 B12R1.310 CCOC(=O)CCNCC1CC1 34a_100000735609_100000765890 [0,0,0,1,0,0|1,0,0]=2 6468 B12R1.310 CCOC(=O)CCOCC1CC1 34a_100000211283_100000765890 [0,0,0,1,0,0|1,0,0]=2 6469 B12R1.310 CCOC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000765890 [0,0,0,1,0,0|2,0,0]=3 6470 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000756562_100000765890 [0,0,0,1,0,0|1,0,0]=2 6471 B12R1.310 CCOC(=O)CCSCC1CC1 62a_100000765890_100000742324 [0,0,0,1,0,0|1,0,0]=2 6472 B12R1.310 CCOC(=O)CCSCC1CO1 62a_100000765890_102125554688 [0,0,0,1,0,0|2,0,0]=3 6473 B12R1.310 CCOC(=O)CCSCC1CO1 62a_102125554688_100000765890 [0,0,0,1,0,0|2,0,0]=3 6474 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000031435_100000765890 [0,0,0,1,0,0|2,0,0]=3 6475 B12R1.310 CCOC(=O)CCSCC1CS1 62a_100000765890_100000031435 [0,0,0,1,0,0|2,0,0]=3 6476 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000765890 [0,0,0,1,0,0|2,0,0]=3 6477 B12R1.310 CCOC(=O)CCSC[C@@H]1CO1 62a_100000765890_100000745022 [0,0,0,1,0,0|2,0,0]=3 6478 B12R1.310 CCOC(=O)CNCCC1CC1 34a_100000764129_100000188475 [0,0,0,1,0,0|1,0,0]=2 6479 B12R1.310 CCOC(=O)COCCC1CC1 34a_100000754188_100000188475 [0,0,0,1,0,0|1,0,0]=2 6480 B12R1.310 CCOC(=O)COCCC1CC1 7a_100000754188_100000188475 [0,0,0,1,0,0|1,0,0]=2 6481 B12R1.310 CCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000188475 [0,0,0,1,0,0|2,0,0]=3 6482 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000188475_100000764125 [0,0,0,1,0,0|1,0,0]=2 6483 B12R1.310 CCOC(=O)CSCCC1CC1 62a_100000764125_100000188475 [0,0,0,1,0,0|1,0,0]=2 6484 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000188475_100000732470 [0,0,0,1,0,0|2,0,0]=3 6485 B12R1.310 CCOC(=O)CSCCC1CO1 62a_100000732470_100000188475 [0,0,0,1,0,0|2,0,0]=3 6486 B12R1.310 CCOC(=O)NCCOC1CC1 34a_100000158857_100000211595 [0,0,0,1,0,0|2,0,0]=3 6487 B12R1.310 CCOC(=O)OCSCC1CC1 62a_100000756562_100000075025 [0,0,0,1,0,0|2,0,0]=3 6488 B12R1.310 CCOC(=O)OCSCC1CO1 62a_102125554688_100000075025 [0,0,0,1,0,0|3,0,0]=4 6489 B12R1.310 CCOC(=O)OCSCC1CS1 62a_100000031435_100000075025 [0,0,0,1,0,0|3,0,0]=4 6490 B12R1.310 CCOC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000075025 [0,0,0,1,0,0|3,0,0]=4 6491 B12R1.310 O=C(CNCCC1CC1)NCO 34a_100000764129_100000185155 [0,0,0,1,0,0|3,0,0]=4 6492 B12R1.310 O=C(COCCC1CC1)NCO 34a_100000754188_100000185155 [0,0,0,1,0,0|3,0,0]=4 6493 B12R1.310 O=C(COCCC1CC1)NCO 7a_100000754188_100000185155 [0,0,0,1,0,0|3,0,0]=4 6494 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000185155_100000764125 [0,0,0,1,0,0|3,0,0]=4 6495 B12R1.310 O=C(CSCCC1CC1)NCO 62a_100000764125_100000185155 [0,0,0,1,0,0|3,0,0]=4 6496 B12R1.311 CCCC(=O)CCC1CCC1=O 1458a_100000211992_200016118888 [0,0,0,1,0,0|2,0,1]=4 6497 B12R1.311 CCCC(=O)OCN1CCC1C 269982a_100000755817_100000034017 [0,0,0,1,0,0|3,0,0]=4 6498 B12R1.311 CCCC(=O)OCN1CCC1C 34a_100000755817_100000034017 [0,0,0,1,0,0|3,0,0]=4 6499 B12R1.311 CCNC(=O)CCN1CCC1C 269982a_100000755817_100000737597 [0,0,0,1,0,0|2,0,0]=3 6500 B12R1.311 CCOC(=O)CCN1CCC1C 269982a_100000755817_100011206558 [0,0,0,1,0,0|1,0,0]=2 6501 B12R1.311 CCOC(=O)CCN1CCC1C 34a_100000755817_100000765890 [0,0,0,1,0,0|1,0,0]=2 6502 B12R1.311 CCOC(=O)CSC1CCC1=O 62a_100000188475_100009892977 [0,0,0,1,0,0|2,0,1]=4 6503 B12R1.311 CCOC(=O)CSC1CCC1=O 62a_100009892977_100000188475 [0,0,0,1,0,0|2,0,1]=4 6504 B12R1.315 C=COC(=O)CNCC1CCC1 2230a_100000738700_100000036128 [0,0,0,1,0,0|1,0,2]=4 6505 B12R1.315 C=COC(=O)CNCC1CCC1 34a_100000738700_100000036128 [0,0,0,1,0,0|1,0,2]=4 6506 B12R1.315 C=COC(=O)COCC1CCC1 34a_100000760304_100000036128 [0,0,0,1,0,0|1,0,2]=4 6507 B12R1.315 C=COC(=O)CSCC1CCC1 62a_100000036128_100000763275 [0,0,0,1,0,0|1,0,2]=4 6508 B12R1.315 C=COC(=O)CSCC1CCC1 62a_100000763275_100000036128 [0,0,0,1,0,0|1,0,2]=4 6509 B12R1.315 CCCC(=O)CNCC1CCC1 2230a_100000738700_100000747444 [0,0,0,1,0,0|2,0,0]=3 6510 B12R1.315 CCCC(=O)CNCC1COC1 2230a_100015281925_100000747444 [0,0,0,1,0,0|3,0,0]=4 6511 B12R1.315 CCCC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747444 [0,0,0,1,0,0|3,0,0]=4 6512 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000747444_100000763275 [0,0,0,1,0,0|2,0,0]=3 6513 B12R1.315 CCCC(=O)CSCC1CCC1 62a_100000763275_100000747444 [0,0,0,1,0,0|2,0,0]=3 6514 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000103362_100000747444 [0,0,0,1,0,0|3,0,0]=4 6515 B12R1.315 CCCC(=O)CSCC1CCO1 62a_100000747444_100000103362 [0,0,0,1,0,0|3,0,0]=4 6516 B12R1.315 CCCC(=O)CSCC1COC1 62a_100000747444_100010264016 [0,0,0,1,0,0|3,0,0]=4 6517 B12R1.315 CCCC(=O)CSCC1COC1 62a_100010264016_100000747444 [0,0,0,1,0,0|3,0,0]=4 6518 B12R1.315 CCCC(=O)NCCN1CCC1 240690a_100000691440_100000211992 [0,0,0,1,0,0|3,0,0]=4 6519 B12R1.315 CCCC(=O)NNCC1CCC1 22a_200020586977_100000211992 [0,0,0,1,0,0|3,0,0]=4 6520 B12R1.315 CCCC(=O)OCNC1CCC1 2230a_100000749019_100000034017 [0,0,0,1,0,0|3,0,0]=4 6521 B12R1.315 CCCC(=O)OCNC1CCC1 34a_100000749019_100000034017 [0,0,0,1,0,0|3,0,0]=4 6522 B12R1.315 CCCC(=O)OCOC1CCC1 34a_100000748187_100000034017 [0,0,0,1,0,0|3,0,0]=4 6523 B12R1.315 CCNC(=O)CCNC1CCC1 2230a_100000749019_100000737597 [0,0,0,1,0,0|2,0,0]=3 6524 B12R1.315 CCNC(=O)CCNC1CCC1 270004a_100025743525_100000241760 [0,0,0,1,0,0|2,0,0]=3 6525 B12R1.315 CCNC(=O)CCNC1CCC1 34a_100025743525_100000749161 [0,0,0,1,0,0|2,0,0]=3 6526 B12R1.315 CCNC(=O)CCNC1COC1 2230a_100016991112_100000737597 [0,0,0,1,0,0|3,0,0]=4 6527 B12R1.315 CCNC(=O)CCNC1COC1 34a_100025743525_100009818527 [0,0,0,1,0,0|3,0,0]=4 6528 B12R1.315 CCNC(=O)CCOC1CSC1 7a_100000072292_100000737597 [0,0,0,1,0,0|3,0,0]=4 6529 B12R1.315 CCNC(=O)CCSC1CCC1 62a_100000737597_100000749161 [0,0,0,1,0,0|2,0,0]=3 6530 B12R1.315 CCNC(=O)CCSC1COC1 62a_100000737597_100009818527 [0,0,0,1,0,0|3,0,0]=4 6531 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100000738700_100000183381 [0,0,0,1,0,0|2,0,0]=3 6532 B12R1.315 CCNC(=O)CNCC1CCC1 2230a_100016988866_100000763275 [0,0,0,1,0,0|2,0,0]=3 6533 B12R1.315 CCNC(=O)CNCC1CCC1 34a_100000738700_100000183381 [0,0,0,1,0,0|2,0,0]=3 6534 B12R1.315 CCNC(=O)CNCC1CCO1 2230a_100016988866_100000103362 [0,0,0,1,0,0|3,0,0]=4 6535 B12R1.315 CCNC(=O)CNCC1COC1 2230a_100015281925_100000183381 [0,0,0,1,0,0|3,0,0]=4 6536 B12R1.315 CCNC(=O)CNCC1COC1 2230a_100016988866_100010264016 [0,0,0,1,0,0|3,0,0]=4 6537 B12R1.315 CCNC(=O)CNCC1COC1 34a_100015281925_100000183381 [0,0,0,1,0,0|3,0,0]=4 6538 B12R1.315 CCNC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000183381 [0,0,0,1,0,0|3,0,0]=4 6539 B12R1.315 CCNC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000183381 [0,0,0,1,0,0|3,0,0]=4 6540 B12R1.315 CCNC(=O)COCC1CCC1 34a_100000760304_100000183381 [0,0,0,1,0,0|2,0,0]=3 6541 B12R1.315 CCNC(=O)COCC1CCO1 34a_100000039022_100000183381 [0,0,0,1,0,0|3,0,0]=4 6542 B12R1.315 CCNC(=O)COCC1CNC1 34a_100016987283_100000183381 [0,0,0,1,0,0|3,0,0]=4 6543 B12R1.315 CCNC(=O)COCC1COC1 34a_100000060846_100000183381 [0,0,0,1,0,0|3,0,0]=4 6544 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000183381_100000763275 [0,0,0,1,0,0|2,0,0]=3 6545 B12R1.315 CCNC(=O)CSCC1CCC1 62a_100000763275_100000183381 [0,0,0,1,0,0|2,0,0]=3 6546 B12R1.315 CCNC(=O)CSCC1CCO1 62a_100000103362_100000183381 [0,0,0,1,0,0|3,0,0]=4 6547 B12R1.315 CCNC(=O)CSCC1CCO1 62a_100000183381_100000103362 [0,0,0,1,0,0|3,0,0]=4 6548 B12R1.315 CCNC(=O)CSCC1COC1 62a_100000183381_100010264016 [0,0,0,1,0,0|3,0,0]=4 6549 B12R1.315 CCNC(=O)CSCC1COC1 62a_100010264016_100000183381 [0,0,0,1,0,0|3,0,0]=4 6550 B12R1.315 CCNC(=O)NCCN1CCC1 2708a_100000691440_100015525214 [0,0,0,1,0,0|3,0,0]=4 6551 B12R1.315 CCNC(=O)NCCN1CCC1 2708a_100015525214_100000691440 [0,0,0,1,0,0|3,0,0]=4 6552 B12R1.315 CCNC(=O)NCCN1CCC1 273464a_100000691440_100015525214 [0,0,0,1,0,0|3,0,0]=4 6553 B12R1.315 CCNC(=O)NCCN1CCC1 273464a_100015525214_100000691440 [0,0,0,1,0,0|3,0,0]=4 6554 B12R1.315 CCNC(=O)NCCN1CCC1 512a_100015525214_100000691440 [0,0,0,1,0,0|3,0,0]=4 6555 B12R1.315 CCNC(=O)NNCC1CCC1 273464a_100015525214_200020586977 [0,0,0,1,0,0|3,0,0]=4 6556 B12R1.315 CCNC(=O)NNCC1CCC1 512a_100015525214_200020586977 [0,0,0,1,0,0|3,0,0]=4 6557 B12R1.315 CCNC(=O)NNCC1CCC1 512a_200020586977_100015525214 [0,0,0,1,0,0|3,0,0]=4 6558 B12R1.315 CCOC(=O)/C=C/CN1CCC1 269982a_100000754969_100016267167 [0,0,0,1,0,0|1,0,2]=4 6559 B12R1.315 CCOC(=O)C=NNC1CCC1 4a_100000736358_100000742314 [0,0,0,1,0,0|2,0,1]=4 6560 B12R1.315 CCOC(=O)CCCN1CCC1 269982a_100000754969_100009991533 [0,0,0,1,0,0|1,0,0]=2 6561 B12R1.315 CCOC(=O)CCNC1CCC1 2230a_100000749019_100011206558 [0,0,0,1,0,0|1,0,0]=2 6562 B12R1.315 CCOC(=O)CCNC1CCC1 34a_100000749019_100000765890 [0,0,0,1,0,0|1,0,0]=2 6563 B12R1.315 CCOC(=O)CCNC1COC1 2230a_100016991112_100011206558 [0,0,0,1,0,0|2,0,0]=3 6564 B12R1.315 CCOC(=O)CCOC1CCC1 34a_100000748187_100000765890 [0,0,0,1,0,0|1,0,0]=2 6565 B12R1.315 CCOC(=O)CCOC1CSC1 7a_100000072292_100011206558 [0,0,0,1,0,0|2,0,0]=3 6566 B12R1.315 CCOC(=O)CCSC1CCC1 62a_100000765890_100000749161 [0,0,0,1,0,0|1,0,0]=2 6567 B12R1.315 CCOC(=O)CCSC1COC1 62a_100000765890_100009818527 [0,0,0,1,0,0|2,0,0]=3 6568 B12R1.315 CCOC(=O)CNCC1CCC1 2230a_100000738700_100000188475 [0,0,0,1,0,0|1,0,0]=2 6569 B12R1.315 CCOC(=O)CNCC1CCC1 34a_100000738700_100000188475 [0,0,0,1,0,0|1,0,0]=2 6570 B12R1.315 CCOC(=O)CNCC1COC1 2230a_100015281925_100000188475 [0,0,0,1,0,0|2,0,0]=3 6571 B12R1.315 CCOC(=O)CNCC1COC1 34a_100015281925_100000188475 [0,0,0,1,0,0|2,0,0]=3 6572 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000188475 [0,0,0,1,0,0|2,0,0]=3 6573 B12R1.315 CCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000188475 [0,0,0,1,0,0|2,0,0]=3 6574 B12R1.315 CCOC(=O)COCC1CCC1 34a_100000760304_100000188475 [0,0,0,1,0,0|1,0,0]=2 6575 B12R1.315 CCOC(=O)COCC1CCO1 34a_100000039022_100000188475 [0,0,0,1,0,0|2,0,0]=3 6576 B12R1.315 CCOC(=O)COCC1CNC1 34a_100016987283_100000188475 [0,0,0,1,0,0|2,0,0]=3 6577 B12R1.315 CCOC(=O)COCC1COC1 34a_100000060846_100000188475 [0,0,0,1,0,0|2,0,0]=3 6578 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000188475_100000763275 [0,0,0,1,0,0|1,0,0]=2 6579 B12R1.315 CCOC(=O)CSCC1CCC1 62a_100000763275_100000188475 [0,0,0,1,0,0|1,0,0]=2 6580 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000103362_100000188475 [0,0,0,1,0,0|2,0,0]=3 6581 B12R1.315 CCOC(=O)CSCC1CCO1 62a_100000188475_100000103362 [0,0,0,1,0,0|2,0,0]=3 6582 B12R1.315 CCOC(=O)CSCC1COC1 62a_100000188475_100010264016 [0,0,0,1,0,0|2,0,0]=3 6583 B12R1.315 CCOC(=O)CSCC1COC1 62a_100010264016_100000188475 [0,0,0,1,0,0|2,0,0]=3 6584 B12R1.315 CCOC(=O)NCCN1CCC1 269982a_100000754969_200011445536 [0,0,0,1,0,0|2,0,0]=3 6585 B12R1.315 O=C(CNCC1CCC1)NCO 2230a_100000738700_100000185155 [0,0,0,1,0,0|3,0,0]=4 6586 B12R1.315 O=C(CNCC1CCC1)NCO 34a_100000738700_100000185155 [0,0,0,1,0,0|3,0,0]=4 6587 B12R1.315 O=C(COCC1CCC1)NCO 34a_100000760304_100000185155 [0,0,0,1,0,0|3,0,0]=4 6588 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000185155_100000763275 [0,0,0,1,0,0|3,0,0]=4 6589 B12R1.315 O=C(CSCC1CCC1)NCO 62a_100000763275_100000185155 [0,0,0,1,0,0|3,0,0]=4 6590 B12R1.316 CC=CC(=O)N1CCCC1CC 11a_100000754278_100000210699 [0,0,0,1,0,0|2,0,1]=4 6591 B12R1.316 CC=CC(=O)N1CCCC1CC 1626a_100000754278_100000210699 [0,0,0,1,0,0|2,0,1]=4 6592 B12R1.316 CC=CC(=O)N1CCCC1CC 240690a_100000754278_100000210699 [0,0,0,1,0,0|2,0,1]=4 6593 B12R1.316 CCC1CCCN1C(=O)CCO 240690a_100000754278_100011216618 [0,0,0,1,0,0|3,0,0]=4 6594 B12R1.316 CCC1CCCN1C(=O)COC 11a_100000754278_100000210968 [0,0,0,1,0,0|3,0,0]=4 6595 B12R1.316 CCC1CCCN1C(=O)COC 1626a_100000754278_100000210968 [0,0,0,1,0,0|3,0,0]=4 6596 B12R1.316 CCC1CCCN1C(=O)COC 240690a_100000754278_100000210968 [0,0,0,1,0,0|3,0,0]=4 6597 B12R1.316 CCC1CCCN1C(=O)COC 527a_100000754278_100000210968 [0,0,0,1,0,0|3,0,0]=4 6598 B12R1.316 CCC1CCCN1C(=O)CSC 11a_100000754278_100000184570 [0,0,0,1,0,0|3,0,0]=4 6599 B12R1.316 CCC1CCCN1C(=O)CSC 1626a_100000754278_100000184570 [0,0,0,1,0,0|3,0,0]=4 6600 B12R1.316 CCC1CCCN1C(=O)CSC 240690a_100000754278_100000184570 [0,0,0,1,0,0|3,0,0]=4 6601 B12R1.316 CCC1CCCN1C(=O)CSC 527a_100000754278_100000184570 [0,0,0,1,0,0|3,0,0]=4 6602 B12R1.316 CCCC(=O)C1CCCN1CC 1458a_106256033941_100000210303 [0,0,0,1,0,0|2,0,0]=3 6603 B12R1.316 CCCC(=O)N1CCCC1CC 11a_100000754278_100000211992 [0,0,0,1,0,0|2,0,0]=3 6604 B12R1.316 CCCC(=O)N1CCCC1CC 1626a_100000754278_100000211992 [0,0,0,1,0,0|2,0,0]=3 6605 B12R1.316 CCCC(=O)N1CCCC1CC 240690a_100000754278_100000211992 [0,0,0,1,0,0|2,0,0]=3 6606 B12R1.316 CCCC(=O)N1CCCC1CC 527a_100000754278_100000211992 [0,0,0,1,0,0|2,0,0]=3 6607 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000211992 [0,0,0,1,0,0|3,0,0]=4 6608 B12R1.316 CCCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000211992 [0,0,0,1,0,0|3,0,0]=4 6609 B12R1.316 CCCN(C)C1CCCC1CC 270004a_100000747261_100000749056 [0,0,0,1,0,0|3,0,0]=4 6610 B12R1.316 CCN1CCCC1C(=O)CCF 1458a_106256033941_100011217306 [0,0,0,1,0,0|3,0,0]=4 6611 B12R1.316 CCN1CCCC1C(=O)CCO 1458a_106256033941_100000211926 [0,0,0,1,0,0|3,0,0]=4 6612 B12R1.316 CCN1CCCC1C(=O)NNC 22a_100016993582_106256033941 [0,0,0,1,0,0|3,0,0]=4 6613 B12R1.316 CCNC(=O)C1CCCN1CC 240690a_100015525214_106256033941 [0,0,0,1,0,0|2,0,0]=3 6614 B12R1.316 CCNC(=O)C1CCCN1CC 527a_100015525214_106256033941 [0,0,0,1,0,0|2,0,0]=3 6615 B12R1.316 CCNC(=O)N1CCCC1CC 2708a_100015525214_100000754278 [0,0,0,1,0,0|2,0,0]=3 6616 B12R1.316 CCNC(=O)N1CCCC1CC 273464a_100015525214_100000754278 [0,0,0,1,0,0|2,0,0]=3 6617 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 2708a_100015525214_100000745186 [0,0,0,1,0,0|3,0,0]=4 6618 B12R1.316 CCNC(=O)N1CCC[C@@H]1CO 273464a_100015525214_100000745186 [0,0,0,1,0,0|3,0,0]=4 6619 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 2230a_100020641767_100000210202 [0,0,0,1,0,0|2,0,0]=3 6620 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 269982a_100020641767_100000204670 [0,0,0,1,0,0|2,0,0]=3 6621 B12R1.316 CCNC(=O)[C@@H]1CCCN1CC 34a_100020641767_100000210202 [0,0,0,1,0,0|2,0,0]=3 6622 B12R1.316 CCNC(=O)[C@@H]1CCCN1CF 269982a_100020641767_100015361967 [0,0,0,1,0,0|3,0,0]=4 6623 B12R1.316 CCNC(=O)[C@@H]1CCCN1CF 34a_100020641767_100015361967 [0,0,0,1,0,0|3,0,0]=4 6624 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 2230a_100000703725_100000210202 [0,0,0,1,0,0|1,0,0]=2 6625 B12R1.316 CCOC(=O)[C@@H]1CCCN1CC 269982a_100000703725_100000204670 [0,0,0,1,0,0|1,0,0]=2 6626 B12R1.316 CCOC(=O)[C@@H]1CCCN1CF 269982a_100000703725_100015361967 [0,0,0,1,0,0|2,0,0]=3 6627 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1OC 7a_200015395474_200000210301 [0,0,0,1,0,0|1,0,0]=2 6628 B12R1.316 CCOC(=O)[C@@H]1CCC[C@@H]1O[13CH3] 7a_200015395474_200025704644 [0,0,0,1,0,0|1,0,0]=2 6629 B12R1.316 CCOC(=O)[C@@H]1CSCN1CC 269982a_100016989239_100000204670 [0,0,0,1,0,0|2,0,0]=3 6630 B12R1.316 CCOC(=O)[C@@H]1CSCN1CF 269982a_100016989239_100015361967 [0,0,0,1,0,0|3,0,0]=4 6631 B12R1.318 C=COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000036128 [0,0,0,1,0,0|1,0,2]=4 6632 B12R1.318 C=COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000036128 [0,0,0,1,0,0|1,0,2]=4 6633 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000036128 [0,0,0,1,0,0|1,0,2]=4 6634 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000036128 [0,0,0,1,0,0|1,0,2]=4 6635 B12R1.318 C=COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000036128 [0,0,0,1,0,0|1,0,2]=4 6636 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747444 [0,0,0,1,0,0|2,0,0]=3 6637 B12R1.318 CCCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747444 [0,0,0,1,0,0|2,0,0]=3 6638 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747444 [0,0,0,1,0,0|2,0,0]=3 6639 B12R1.318 CCCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747444 [0,0,0,1,0,0|2,0,0]=3 6640 B12R1.318 CCCC(=O)CN1CCSC1C 2230a_200011216479_100000747444 [0,0,0,1,0,0|3,0,0]=4 6641 B12R1.318 CCCC(=O)CN1CCSC1C 269982a_200011216479_100000747444 [0,0,0,1,0,0|3,0,0]=4 6642 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000211992 [0,0,0,1,0,0|3,0,0]=4 6643 B12R1.318 CCCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000211992 [0,0,0,1,0,0|3,0,0]=4 6644 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183381 [0,0,0,1,0,0|2,0,0]=3 6645 B12R1.318 CCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183381 [0,0,0,1,0,0|2,0,0]=3 6646 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183381 [0,0,0,1,0,0|2,0,0]=3 6647 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183381 [0,0,0,1,0,0|2,0,0]=3 6648 B12R1.318 CCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183381 [0,0,0,1,0,0|2,0,0]=3 6649 B12R1.318 CCNC(=O)CN1CCSC1C 2230a_200011216479_100000183381 [0,0,0,1,0,0|3,0,0]=4 6650 B12R1.318 CCNC(=O)CN1CCSC1C 269982a_200011216479_100000183381 [0,0,0,1,0,0|3,0,0]=4 6651 B12R1.318 CCNC(=O)CN1CCSC1C 34a_200011216479_100000183381 [0,0,0,1,0,0|3,0,0]=4 6652 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 2708a_100015525214_100000748460 [0,0,0,1,0,0|3,0,0]=4 6653 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100000748460_100015525214 [0,0,0,1,0,0|3,0,0]=4 6654 B12R1.318 CCNC(=O)N[C@H]1CCC[C@@H]1O 273464a_100015525214_100000748460 [0,0,0,1,0,0|3,0,0]=4 6655 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000188475 [0,0,0,1,0,0|1,0,0]=2 6656 B12R1.318 CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000188475 [0,0,0,1,0,0|1,0,0]=2 6657 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000188475 [0,0,0,1,0,0|1,0,0]=2 6658 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000188475 [0,0,0,1,0,0|1,0,0]=2 6659 B12R1.318 CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000188475 [0,0,0,1,0,0|1,0,0]=2 6660 B12R1.318 CCOC(=O)CN1CCSC1C 2230a_200011216479_100000188475 [0,0,0,1,0,0|2,0,0]=3 6661 B12R1.318 CCOC(=O)CN1CCSC1C 269982a_200011216479_100000188475 [0,0,0,1,0,0|2,0,0]=3 6662 B12R1.318 CCOC(=O)CN1CCSC1C 34a_200011216479_100000188475 [0,0,0,1,0,0|2,0,0]=3 6663 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 2230a_100015189458_100000185155 [0,0,0,1,0,0|3,0,0]=4 6664 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 269982a_100015189458_100000185155 [0,0,0,1,0,0|3,0,0]=4 6665 B12R1.318 C[C@@H]1CCCN1CC(=O)NCO 34a_100015189458_100000185155 [0,0,0,1,0,0|3,0,0]=4 6666 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 2230a_100020605311_100000185155 [0,0,0,1,0,0|3,0,0]=4 6667 B12R1.318 C[C@H]1CCCN1CC(=O)NCO 269982a_100020605311_100000185155 [0,0,0,1,0,0|3,0,0]=4 6668 B12R1.340 CCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210211 [0,0,0,1,0,0|2,0,1]=4 6669 B12R1.340 CCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210211 [0,0,0,1,0,0|2,0,1]=4 6670 B12R1.340 CCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210210 [0,0,0,1,0,0|2,0,1]=4 6671 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,0,0,1,0,0|2,0,0]=3 6672 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,0,0,1,0,0|2,0,0]=3 6673 B12R1.348 CCOCN1CCNC(=O)CC1 269982a_100000698595_100000739092 [0,0,0,1,0,0|3,0,0]=4 6674 B12R1.348 COCCN1CCNC(=O)CC1 2230a_100000698595_100011201679 [0,0,0,1,0,0|3,0,0]=4 6675 B12R1.348 COCCN1CCNC(=O)CC1 269982a_100000698595_100000233755 [0,0,0,1,0,0|3,0,0]=4 6676 B12R1.348 CSCCN1CCNC(=O)CC1 2230a_100000698595_100000751147 [0,0,0,1,0,0|3,0,0]=4 6677 B12R1.348 CSCCN1CCNC(=O)CC1 269982a_100000698595_100000212216 [0,0,0,1,0,0|3,0,0]=4 6678 B12R1.348 O=C1CCN(CCN1)CCCF 2230a_100000698595_100011934791 [0,0,0,1,0,0|3,0,0]=4 6679 B12R1.348 O=C1CCN(CCN1)CCCF 269982a_100000698595_100011934791 [0,0,0,1,0,0|3,0,0]=4 6680 B12R1.348 O=C1CCN(CCN1)CCCO 2230a_100000698595_100000230001 [0,0,0,1,0,0|3,0,0]=4 6681 B12R1.348 O=C1CCN(CCN1)CCCO 269982a_100000698595_100011215043 [0,0,0,1,0,0|3,0,0]=4 6682 B12R1.372 C#CCCCNC1CCOC1=O 34a_100000718082_100000211211 [0,0,0,1,0,0|1,0,2]=4 6683 B12R1.372 C#CCCCOC1CCOC1=O 34a_100000215630_100000211211 [0,0,0,1,0,0|1,0,2]=4 6684 B12R1.372 C#CCCCOC1CCOC1=O 7a_100000215630_100000211211 [0,0,0,1,0,0|1,0,2]=4 6685 B12R1.372 C#CCCCSC1CCOC1=O 62a_100000211211_100011215417 [0,0,0,1,0,0|1,0,2]=4 6686 B12R1.372 C#CCCCSC1CCOC1=O 62a_100011215417_100000211211 [0,0,0,1,0,0|1,0,2]=4 6687 B12R1.372 C/C=C/CCOC1CCOC1=O 34a_100016278192_100000211211 [0,0,0,1,0,0|1,0,2]=4 6688 B12R1.372 C=CCCCNC1CCOC1=O 2230a_100000700776_100000211211 [0,0,0,1,0,0|1,0,2]=4 6689 B12R1.372 C=CCCCNC1CCOC1=O 34a_100000700776_100000211211 [0,0,0,1,0,0|1,0,2]=4 6690 B12R1.372 C=CCCCOC1CCOC1=O 34a_100000758997_100000211211 [0,0,0,1,0,0|1,0,2]=4 6691 B12R1.372 C=CCCCOC1CCOC1=O 7a_100000758997_100000211211 [0,0,0,1,0,0|1,0,2]=4 6692 B12R1.372 C=CCCCSC1CCOC1=O 62a_100000211211_100000757094 [0,0,0,1,0,0|1,0,2]=4 6693 B12R1.372 C=CCCCSC1CCOC1=O 62a_100011713584_100000211211 [0,0,0,1,0,0|1,0,2]=4 6694 B12R1.372 CC#CCCOC1CCOC1=O 34a_100000750427_100000211211 [0,0,0,1,0,0|1,0,2]=4 6695 B12R1.372 CC/C=C\COC1CCOC1=O 34a_100016268518_100000211211 [0,0,0,1,0,0|1,0,2]=4 6696 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100000211211_100103147603 [0,0,0,1,0,0|1,0,2]=4 6697 B12R1.372 CC/C=C\CSC1CCOC1=O 62a_100103147603_100000211211 [0,0,0,1,0,0|1,0,2]=4 6698 B12R1.372 CCC#CCOC1CCOC1=O 34a_100000032950_100000211211 [0,0,0,1,0,0|1,0,2]=4 6699 B12R1.372 CCC#CCSC1CCOC1=O 62a_100000211211_100009813939 [0,0,0,1,0,0|1,0,2]=4 6700 B12R1.372 CCC#CCSC1CCOC1=O 62a_100009813939_100000211211 [0,0,0,1,0,0|1,0,2]=4 6701 B12R1.372 CCCCCNC1CCCC1=O 2230a_100000209983_100000211823 [0,0,0,1,0,0|2,0,0]=3 6702 B12R1.372 CCCCCNC1CCNC1=O 2230a_100016995588_100000210326 [0,0,0,1,0,0|2,0,0]=3 6703 B12R1.372 CCCCCNC1CCNC1=O 34a_100016995588_100000718602 [0,0,0,1,0,0|2,0,0]=3 6704 B12R1.372 CCCCCNC1CCOC1=O 2230a_100000209983_100000211211 [0,0,0,1,0,0|1,0,0]=2 6705 B12R1.372 CCCCCNC1CCOC1C 270004a_100000209983_100000691750 [0,0,0,1,0,0|2,0,1]=4 6706 B12R1.372 CCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210326 [0,0,0,1,0,0|3,0,0]=4 6707 B12R1.372 CCCCCN[C@@H]1CONC1=O 34a_100000765999_100000718602 [0,0,0,1,0,0|3,0,0]=4 6708 B12R1.372 CCCCCOC1CCCC1=O 34a_100000210253_100000709159 [0,0,0,1,0,0|2,0,0]=3 6709 B12R1.372 CCCCCOC1CCCC1=O 34a_200000719330_100000718602 [0,0,0,1,0,0|2,0,0]=3 6710 B12R1.372 CCCCCOC1CCCC1=O 7a_100000210253_100000211823 [0,0,0,1,0,0|2,0,0]=3 6711 B12R1.372 CCCCCOC1CCOC1=O 34a_100000210253_100000211211 [0,0,0,1,0,0|1,0,0]=2 6712 B12R1.372 CCCCCOC1CCOC1=O 7a_100000210253_100000211211 [0,0,0,1,0,0|1,0,0]=2 6713 B12R1.372 CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000718602 [0,0,0,1,0,0|2,0,0]=3 6714 B12R1.372 CCCCCSC1CCCC1=O 62a_100000210326_100000211823 [0,0,0,1,0,0|2,0,0]=3 6715 B12R1.372 CCCCCSC1CCCC1=O 62a_100000211823_100000210326 [0,0,0,1,0,0|2,0,0]=3 6716 B12R1.372 CCCCCSC1CCOC1=O 62a_100000210326_100000211211 [0,0,0,1,0,0|1,0,0]=2 6717 B12R1.372 CCCCCSC1CCOC1=O 62a_100000211211_100000210326 [0,0,0,1,0,0|1,0,0]=2 6718 B12R1.372 CCCCOCC1CCNC1=O 34a_100000133458_100000210210 [0,0,0,1,0,0|2,0,0]=3 6719 B12R1.372 CCCCSCN1CCCC1=O 62a_100000026320_100000210210 [0,0,0,1,0,0|3,0,0]=4 6720 B12R1.372 CCCCSCN1CCCC1=O 62a_100000210211_100000026320 [0,0,0,1,0,0|3,0,0]=4 6721 B12R1.372 CCCNCCN1CCCC1=O 2230a_100011200922_100000210303 [0,0,0,1,0,0|3,0,0]=4 6722 B12R1.372 CCCNCCN1CCNC1=O 2230a_100011207550_100000210303 [0,0,0,1,0,0|3,0,0]=4 6723 B12R1.372 CCCOCCN1CCCC1=O 34a_100000210258_100000739059 [0,0,0,1,0,0|3,0,0]=4 6724 B12R1.372 CCCOCCN1CCCC1=O 34a_100000211209_100000210303 [0,0,0,1,0,0|3,0,0]=4 6725 B12R1.372 CCCOCCN1CCCC1=O 7a_100000211209_100000210303 [0,0,0,1,0,0|3,0,0]=4 6726 B12R1.372 CCCOCCN1CCNC1=O 34a_100000216532_100000210303 [0,0,0,1,0,0|3,0,0]=4 6727 B12R1.372 CCCSCCN1CCCC1=O 62a_100000210303_100000739059 [0,0,0,1,0,0|3,0,0]=4 6728 B12R1.372 CCCSCCN1CCCC1=O 62a_100000739059_100000210303 [0,0,0,1,0,0|3,0,0]=4 6729 B12R1.372 CCCSCCN1CCNC1=O 62a_100000090651_100000210303 [0,0,0,1,0,0|3,0,0]=4 6730 B12R1.372 CCCSCCN1CCNC1=O 62a_100000210303_100000090651 [0,0,0,1,0,0|3,0,0]=4 6731 B12R1.372 CCNCCCN1CCCC1=O 2230a_100000210347_100000210202 [0,0,0,1,0,0|3,0,0]=4 6732 B12R1.372 CCNCCCN1CCCC1=O 34a_100000210347_100000210202 [0,0,0,1,0,0|3,0,0]=4 6733 B12R1.372 CCOCCCN1CCCC1=O 34a_100011216539_100000210202 [0,0,0,1,0,0|3,0,0]=4 6734 B12R1.372 CCOCCCN1CCCC1=O 7a_100011216539_100000210202 [0,0,0,1,0,0|3,0,0]=4 6735 B12R1.372 CCOCCNC1CCCC1=O 2230a_102516460346_100000211823 [0,0,0,1,0,0|3,0,0]=4 6736 B12R1.372 CCOCCNC1CCCC1=O 34a_102516460346_100000709159 [0,0,0,1,0,0|3,0,0]=4 6737 B12R1.372 CCOCCNC1CCNC1=O 2230a_100016995588_100011215890 [0,0,0,1,0,0|3,0,0]=4 6738 B12R1.372 CCOCCNC1CCNC1=O 34a_100016995588_100000210147 [0,0,0,1,0,0|3,0,0]=4 6739 B12R1.372 CCOCCNC1CCOC1=O 2230a_102516460346_100000211211 [0,0,0,1,0,0|2,0,0]=3 6740 B12R1.372 CCOCCNC1CCOC1=O 34a_102516460346_100000211211 [0,0,0,1,0,0|2,0,0]=3 6741 B12R1.372 CCOCCOC1CCCC1=O 34a_100000210136_100000709159 [0,0,0,1,0,0|3,0,0]=4 6742 B12R1.372 CCOCCOC1CCCC1=O 34a_200000719330_100000210147 [0,0,0,1,0,0|3,0,0]=4 6743 B12R1.372 CCOCCOC1CCCC1=O 7a_100000210136_100000211823 [0,0,0,1,0,0|3,0,0]=4 6744 B12R1.372 CCOCCOC1CCOC1=O 34a_100000210136_100000211211 [0,0,0,1,0,0|2,0,0]=3 6745 B12R1.372 CCOCCOC1CCOC1=O 7a_100000210136_100000211211 [0,0,0,1,0,0|2,0,0]=3 6746 B12R1.372 CCOCCO[C@H]1CCNC1=O 34a_100000688343_100000210147 [0,0,0,1,0,0|3,0,0]=4 6747 B12R1.372 CCOCCSC1CCCC1=O 62a_100000210147_100000211823 [0,0,0,1,0,0|3,0,0]=4 6748 B12R1.372 CCOCCSC1CCCC1=O 62a_100000211823_100011215890 [0,0,0,1,0,0|3,0,0]=4 6749 B12R1.372 CCOCCSC1CCOC1=O 62a_100000210147_100000211211 [0,0,0,1,0,0|2,0,0]=3 6750 B12R1.372 CCOCCSC1CCOC1=O 62a_100000211211_100011215890 [0,0,0,1,0,0|2,0,0]=3 6751 B12R1.372 CCSCCNC1CCCC1=O 2230a_100000106463_100000211823 [0,0,0,1,0,0|3,0,0]=4 6752 B12R1.372 CCSCCNC1CCNC1=O 2230a_100016995588_100000757381 [0,0,0,1,0,0|3,0,0]=4 6753 B12R1.372 CCSCCNC1CCNC1=O 34a_100016995588_100000757381 [0,0,0,1,0,0|3,0,0]=4 6754 B12R1.372 CCSCCNC1CCOC1=O 2230a_100000106463_100000211211 [0,0,0,1,0,0|2,0,0]=3 6755 B12R1.372 CCSCCOC1CCCC1=O 34a_100000212035_100000709159 [0,0,0,1,0,0|3,0,0]=4 6756 B12R1.372 CCSCCOC1CCCC1=O 34a_200000719330_100000757381 [0,0,0,1,0,0|3,0,0]=4 6757 B12R1.372 CCSCCOC1CCCC1=O 7a_100000212035_100000211823 [0,0,0,1,0,0|3,0,0]=4 6758 B12R1.372 CCSCCOC1CCOC1=O 34a_100000212035_100000211211 [0,0,0,1,0,0|2,0,0]=3 6759 B12R1.372 CCSCCOC1CCOC1=O 7a_100000212035_100000211211 [0,0,0,1,0,0|2,0,0]=3 6760 B12R1.372 CCSCCO[C@H]1CCNC1=O 34a_100000688343_100000757381 [0,0,0,1,0,0|3,0,0]=4 6761 B12R1.372 CCSCCSC1CCCC1=O 62a_100000211823_100000757381 [0,0,0,1,0,0|3,0,0]=4 6762 B12R1.372 CCSCCSC1CCCC1=O 62a_100000757381_100000211823 [0,0,0,1,0,0|3,0,0]=4 6763 B12R1.372 CCSCCSC1CCOC1=O 62a_100000211211_100000757381 [0,0,0,1,0,0|2,0,0]=3 6764 B12R1.372 CCSCCSC1CCOC1=O 62a_100000757381_100000211211 [0,0,0,1,0,0|2,0,0]=3 6765 B12R1.372 CNCCCOC1CCCC1=O 34a_100000213112_100000709159 [0,0,0,1,0,0|3,0,0]=4 6766 B12R1.372 CNCCCOC1CCOC1=O 34a_100000213112_100000211211 [0,0,0,1,0,0|2,0,0]=3 6767 B12R1.372 COCCCNC1CCCC1=O 34a_100150723488_100000709159 [0,0,0,1,0,0|3,0,0]=4 6768 B12R1.372 COCCCNC1CCNC1=O 2230a_100016995588_100000740836 [0,0,0,1,0,0|3,0,0]=4 6769 B12R1.372 COCCCNC1CCNC1=O 34a_100016995588_100000740836 [0,0,0,1,0,0|3,0,0]=4 6770 B12R1.372 COCCCNC1CCOC1=O 34a_100150723488_100000211211 [0,0,0,1,0,0|2,0,0]=3 6771 B12R1.372 COCCCOC1CCCC1=O 34a_100000740835_100000709159 [0,0,0,1,0,0|3,0,0]=4 6772 B12R1.372 COCCCOC1CCCC1=O 34a_200000719330_100000740836 [0,0,0,1,0,0|3,0,0]=4 6773 B12R1.372 COCCCOC1CCOC1=O 34a_100000740835_100000211211 [0,0,0,1,0,0|2,0,0]=3 6774 B12R1.372 COCCCO[C@H]1CCNC1=O 34a_100000688343_100000740836 [0,0,0,1,0,0|3,0,0]=4 6775 B12R1.372 COCCCSC1CCCC1=O 62a_100000211823_100000709357 [0,0,0,1,0,0|3,0,0]=4 6776 B12R1.372 COCCCSC1CCCC1=O 62a_100000709357_100000211823 [0,0,0,1,0,0|3,0,0]=4 6777 B12R1.372 COCCCSC1CCOC1=O 62a_100000211211_100000709357 [0,0,0,1,0,0|2,0,0]=3 6778 B12R1.372 COCCCSC1CCOC1=O 62a_100000709357_100000211211 [0,0,0,1,0,0|2,0,0]=3 6779 B12R1.372 COCCOCC1CCNC1=O 34a_100000133458_100011201679 [0,0,0,1,0,0|3,0,0]=4 6780 B12R1.372 CSCCCNC1CCCC1=O 2230a_100000749238_100000211823 [0,0,0,1,0,0|3,0,0]=4 6781 B12R1.372 CSCCCNC1CCOC1=O 2230a_100000749238_100000211211 [0,0,0,1,0,0|2,0,0]=3 6782 B12R1.372 CSCCCOC1CCCC1=O 34a_100000690336_100000709159 [0,0,0,1,0,0|3,0,0]=4 6783 B12R1.372 CSCCCOC1CCCC1=O 7a_100000690336_100000211823 [0,0,0,1,0,0|3,0,0]=4 6784 B12R1.372 CSCCCOC1CCOC1=O 34a_100000690336_100000211211 [0,0,0,1,0,0|2,0,0]=3 6785 B12R1.372 CSCCCOC1CCOC1=O 7a_100000690336_100000211211 [0,0,0,1,0,0|2,0,0]=3 6786 B12R1.372 CSCCOCC1CCNC1=O 34a_100000133458_100000212216 [0,0,0,1,0,0|3,0,0]=4 6787 B12R1.372 N#CCCCSC1CCOC1=O 62a_100000211211_100000687738 [0,0,0,1,0,0|2,0,1]=4 6788 B12R1.372 N#CCCCSC1CCOC1=O 62a_100000687738_100000211211 [0,0,0,1,0,0|2,0,1]=4 6789 B12R1.372 NCCCCOC1CCCC1=O 34a_100000750430_100000709159 [0,0,0,1,0,0|3,0,0]=4 6790 B12R1.372 NCCCCOC1CCOC1=O 34a_100000750430_100000211211 [0,0,0,1,0,0|2,0,0]=3 6791 B12R1.372 O=C1CCCC1NCCCCO 2230a_100000750430_100000211823 [0,0,0,1,0,0|3,0,0]=4 6792 B12R1.372 O=C1CCCC1NCCCCO 34a_100000750430_100000709159 [0,0,0,1,0,0|3,0,0]=4 6793 B12R1.372 O=C1CCCC1OCCCCBr 34a_100011216708_100000709159 [0,0,0,1,0,0|3,0,0]=4 6794 B12R1.372 O=C1CCCC1OCCCCCl 34a_100000210776_100000709159 [0,0,0,1,0,0|3,0,0]=4 6795 B12R1.372 O=C1CCCC1OCCCCCl 7a_100000210776_100000211823 [0,0,0,1,0,0|3,0,0]=4 6796 B12R1.372 O=C1CCCC1OCCCCF 34a_100011995726_100000709159 [0,0,0,1,0,0|3,0,0]=4 6797 B12R1.372 O=C1CCCC1OCCCCF 34a_200000719330_100000729493 [0,0,0,1,0,0|3,0,0]=4 6798 B12R1.372 O=C1CCCC1OCCCCF 7a_100011995726_100000211823 [0,0,0,1,0,0|3,0,0]=4 6799 B12R1.372 O=C1CCCC1OCCCCI 34a_200012148704_100000709159 [0,0,0,1,0,0|3,0,0]=4 6800 B12R1.372 O=C1CCCC1OCCCCO 34a_200000719330_100011216708 [0,0,0,1,0,0|3,0,0]=4 6801 B12R1.372 O=C1CCCC1SCCCCF 62a_100000211823_100000729493 [0,0,0,1,0,0|3,0,0]=4 6802 B12R1.372 O=C1CCCC1SCCCCF 62a_100000729493_100000211823 [0,0,0,1,0,0|3,0,0]=4 6803 B12R1.372 O=C1CCCC1SCCCCO 62a_100000210776_100000211823 [0,0,0,1,0,0|3,0,0]=4 6804 B12R1.372 O=C1CCCC1SCCCCO 62a_100000211823_100000210776 [0,0,0,1,0,0|3,0,0]=4 6805 B12R1.372 O=C1NCCC1COCCCF 34a_100000133458_100011934791 [0,0,0,1,0,0|3,0,0]=4 6806 B12R1.372 O=C1NCCC1COCCCO 34a_100000133458_100000230001 [0,0,0,1,0,0|3,0,0]=4 6807 B12R1.372 O=C1NCCC1NCCCCF 2230a_100016995588_100000729493 [0,0,0,1,0,0|3,0,0]=4 6808 B12R1.372 O=C1NCCC1NCCCCF 34a_100016995588_100000729493 [0,0,0,1,0,0|3,0,0]=4 6809 B12R1.372 O=C1NCCC1NCCCCO 2230a_100016995588_100000210776 [0,0,0,1,0,0|3,0,0]=4 6810 B12R1.372 O=C1NCCC1NCCCCO 34a_100016995588_100011216708 [0,0,0,1,0,0|3,0,0]=4 6811 B12R1.372 O=C1NCC[C@@H]1OCCCCF 34a_100000688343_100000729493 [0,0,0,1,0,0|3,0,0]=4 6812 B12R1.372 O=C1NCC[C@@H]1OCCCCO 34a_100000688343_100011216708 [0,0,0,1,0,0|3,0,0]=4 6813 B12R1.372 O=C1OCCC1NCCCCO 2230a_100000750430_100000211211 [0,0,0,1,0,0|2,0,0]=3 6814 B12R1.372 O=C1OCCC1NCCCCO 34a_100000750430_100000211211 [0,0,0,1,0,0|2,0,0]=3 6815 B12R1.372 O=C1OCCC1OCCCCBr 34a_100011216708_100000211211 [0,0,0,1,0,0|2,0,0]=3 6816 B12R1.372 O=C1OCCC1OCCCCCl 34a_100000210776_100000211211 [0,0,0,1,0,0|2,0,0]=3 6817 B12R1.372 O=C1OCCC1OCCCCCl 7a_100000210776_100000211211 [0,0,0,1,0,0|2,0,0]=3 6818 B12R1.372 O=C1OCCC1OCCCCF 34a_100011995726_100000211211 [0,0,0,1,0,0|2,0,0]=3 6819 B12R1.372 O=C1OCCC1OCCCCF 7a_100011995726_100000211211 [0,0,0,1,0,0|2,0,0]=3 6820 B12R1.372 O=C1OCCC1OCCCCI 34a_200012148704_100000211211 [0,0,0,1,0,0|2,0,0]=3 6821 B12R1.372 O=C1OCCC1SCCCCF 62a_100000211211_100000729493 [0,0,0,1,0,0|2,0,0]=3 6822 B12R1.372 O=C1OCCC1SCCCCF 62a_100000729493_100000211211 [0,0,0,1,0,0|2,0,0]=3 6823 B12R1.372 O=C1OCCC1SCCCCO 62a_100000210776_100000211211 [0,0,0,1,0,0|2,0,0]=3 6824 B12R1.372 O=C1OCCC1SCCCCO 62a_100000211211_100000210776 [0,0,0,1,0,0|2,0,0]=3 6825 B12R1.372 O=CCCCSC1CCOC1=O 62a_100000211211_200011292268 [0,0,0,1,0,0|2,0,1]=4 6826 B12R1.372 O=CCCCSC1CCOC1=O 62a_200011292268_100000211211 [0,0,0,1,0,0|2,0,1]=4 6827 B12R1.535 CCCC(=O)N1CCC1COC 11a_100015195929_100000211992 [0,0,0,1,0,0|3,0,0]=4 6828 B12R1.535 CCCC(=O)N1CCC1COC 1626a_100015195929_100000211992 [0,0,0,1,0,0|3,0,0]=4 6829 B12R1.535 CCCC(=O)N1CCC1COC 240690a_100015195929_100000211992 [0,0,0,1,0,0|3,0,0]=4 6830 B12R1.535 CCCC(=O)N1CCC1COC 527a_100015195929_100000211992 [0,0,0,1,0,0|3,0,0]=4 6831 B12R1.535 CCNC(=O)N1CCC1COC 2708a_100015525214_100015195929 [0,0,0,1,0,0|3,0,0]=4 6832 B12R1.535 CCNC(=O)N1CCC1COC 273464a_100015525214_100015195929 [0,0,0,1,0,0|3,0,0]=4 6833 B12R1.542 CCCN1CCNC(=O)C1CC 2230a_100000187962_100000210303 [0,0,0,1,0,0|3,0,0]=4 6834 B12R1.542 CCCN1CCNC(=O)C1CC 269982a_100000187962_100000210303 [0,0,0,1,0,0|3,0,0]=4 6835 B12R1.542 CCCN1CCNC(=O)C1CC 34a_100000187962_100000210303 [0,0,0,1,0,0|3,0,0]=4 6836 B12R1.923 C#CCCCCCC(=O)C1CC1 1458a_100000210395_100012094781 [0,0,0,1,0,0|1,0,2]=4 6837 B12R1.923 C=CCCCCCC(=O)C1CC1 1458a_100000210395_100000700193 [0,0,0,1,0,0|1,0,2]=4 6838 B12R1.923 CCCCCCCC(=O)C1CC1 1458a_100000210395_100000210614 [0,0,0,1,0,0|1,0,0]=2 6839 B12R1.923 CCCCCCCC(=O)C1CO1 1458a_100000701028_100000210614 [0,0,0,1,0,0|2,0,0]=3 6840 B12R1.923 CCCCCCCN(C)C1CC1 2230a_100000226674_100000210681 [0,0,0,1,0,0|3,0,0]=4 6841 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000226674_100000210681 [0,0,0,1,0,0|3,0,0]=4 6842 B12R1.923 CCCCCCCN(C)C1CC1 269982a_100000228206_100000211595 [0,0,0,1,0,0|3,0,0]=4 6843 B12R1.923 CCCCCCNC(=O)C1CC1 11a_100000210581_100000210395 [0,0,0,1,0,0|2,0,0]=3 6844 B12R1.923 CCCCCCNC(=O)C1CC1 1626a_100000210581_100000210395 [0,0,0,1,0,0|2,0,0]=3 6845 B12R1.923 CCCCCCNC(=O)C1CC1 240690a_100000210581_100000210395 [0,0,0,1,0,0|2,0,0]=3 6846 B12R1.923 CCCCCCNC(=O)C1CC1 527a_100000210581_100000210395 [0,0,0,1,0,0|2,0,0]=3 6847 B12R1.923 CCCCCCNC(=O)C1CO1 11a_100000210581_100000701028 [0,0,0,1,0,0|3,0,0]=4 6848 B12R1.923 CCCCCCNC(=O)C1CO1 1626a_100000210581_100000701028 [0,0,0,1,0,0|3,0,0]=4 6849 B12R1.923 CCCCCCNC(=O)C1CO1 240690a_100000210581_100000701028 [0,0,0,1,0,0|3,0,0]=4 6850 B12R1.923 CCCCCCNC(=O)C1CO1 527a_100000210581_100000701028 [0,0,0,1,0,0|3,0,0]=4 6851 B12R1.923 CCCCCNCC(=O)C1CC1 2230a_100000209983_100000746382 [0,0,0,1,0,0|2,0,0]=3 6852 B12R1.923 CCCCCNNC(=O)C1CC1 22a_100000694160_100000210395 [0,0,0,1,0,0|3,0,0]=4 6853 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000210253_100000746382 [0,0,0,1,0,0|2,0,0]=3 6854 B12R1.923 CCCCCOCC(=O)C1CC1 34a_100000686663_100000718602 [0,0,0,1,0,0|2,0,0]=3 6855 B12R1.923 CCCCCOCC(=O)C1CC1 7a_100000210253_100000746382 [0,0,0,1,0,0|2,0,0]=3 6856 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000210326_100000746382 [0,0,0,1,0,0|2,0,0]=3 6857 B12R1.923 CCCCCSCC(=O)C1CC1 62a_100000746382_100000210326 [0,0,0,1,0,0|2,0,0]=3 6858 B12R1.923 CCCCNCOC(=O)C1CC1 2230a_100000102301_100000140896 [0,0,0,1,0,0|3,0,0]=4 6859 B12R1.923 CCCCOCCC(=O)C1CC1 1458a_100000210395_100000743108 [0,0,0,1,0,0|2,0,0]=3 6860 B12R1.923 CCCCOCCC(=O)C1CO1 1458a_100000701028_100000743108 [0,0,0,1,0,0|3,0,0]=4 6861 B12R1.923 CCCCOCOC(=O)C1CC1 34a_100000210227_100000140896 [0,0,0,1,0,0|3,0,0]=4 6862 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000140896_100000210210 [0,0,0,1,0,0|3,0,0]=4 6863 B12R1.923 CCCCSCOC(=O)C1CC1 62a_100000210211_100000140896 [0,0,0,1,0,0|3,0,0]=4 6864 B12R1.923 CCCOCCNC(=O)C1CC1 1626a_100161115042_100000210395 [0,0,0,1,0,0|3,0,0]=4 6865 B12R1.923 CCCOCCNC(=O)C1CC1 240690a_100161115042_100000210395 [0,0,0,1,0,0|3,0,0]=4 6866 B12R1.923 CCCOCCNC(=O)C1CC1 527a_100161115042_100000210395 [0,0,0,1,0,0|3,0,0]=4 6867 B12R1.923 CCCSCCNC(=O)C1CC1 11a_100020603323_100000210395 [0,0,0,1,0,0|3,0,0]=4 6868 B12R1.923 CCCSCCNC(=O)C1CC1 240690a_100020603323_100000210395 [0,0,0,1,0,0|3,0,0]=4 6869 B12R1.923 CCCSCCNC(=O)C1CC1 527a_100020603323_100000210395 [0,0,0,1,0,0|3,0,0]=4 6870 B12R1.923 CCOCCCNC(=O)C1CC1 11a_100000210961_100000210395 [0,0,0,1,0,0|3,0,0]=4 6871 B12R1.923 CCOCCCNC(=O)C1CC1 1626a_100000210961_100000210395 [0,0,0,1,0,0|3,0,0]=4 6872 B12R1.923 CCOCCCNC(=O)C1CC1 240690a_100000210961_100000210395 [0,0,0,1,0,0|3,0,0]=4 6873 B12R1.923 CCOCCCNC(=O)C1CC1 527a_100000210961_100000210395 [0,0,0,1,0,0|3,0,0]=4 6874 B12R1.923 CCOCCNCC(=O)C1CC1 2230a_102516460346_100000746382 [0,0,0,1,0,0|3,0,0]=4 6875 B12R1.923 CCOCCNCC(=O)C1CC1 34a_102516460346_100000746382 [0,0,0,1,0,0|3,0,0]=4 6876 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000210136_100000746382 [0,0,0,1,0,0|3,0,0]=4 6877 B12R1.923 CCOCCOCC(=O)C1CC1 34a_100000686663_100000210147 [0,0,0,1,0,0|3,0,0]=4 6878 B12R1.923 CCOCCOCC(=O)C1CC1 7a_100000210136_100000746382 [0,0,0,1,0,0|3,0,0]=4 6879 B12R1.923 CCOCCSCC(=O)C1CC1 62a_100000210147_100000746382 [0,0,0,1,0,0|3,0,0]=4 6880 B12R1.923 CCOCCSCC(=O)C1CC1 62a_100000746382_100011215890 [0,0,0,1,0,0|3,0,0]=4 6881 B12R1.923 CCSCCNCC(=O)C1CC1 2230a_100000106463_100000746382 [0,0,0,1,0,0|3,0,0]=4 6882 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000212035_100000746382 [0,0,0,1,0,0|3,0,0]=4 6883 B12R1.923 CCSCCOCC(=O)C1CC1 34a_100000686663_100000757381 [0,0,0,1,0,0|3,0,0]=4 6884 B12R1.923 CCSCCOCC(=O)C1CC1 7a_100000212035_100000746382 [0,0,0,1,0,0|3,0,0]=4 6885 B12R1.923 CCSCCSCC(=O)C1CC1 62a_100000746382_100000757381 [0,0,0,1,0,0|3,0,0]=4 6886 B12R1.923 CCSCCSCC(=O)C1CC1 62a_100000757381_100000746382 [0,0,0,1,0,0|3,0,0]=4 6887 B12R1.923 CNCCCOCC(=O)C1CC1 34a_100000213112_100000746382 [0,0,0,1,0,0|3,0,0]=4 6888 B12R1.923 COCCCNCC(=O)C1CC1 34a_100150723488_100000746382 [0,0,0,1,0,0|3,0,0]=4 6889 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000686663_100000740836 [0,0,0,1,0,0|3,0,0]=4 6890 B12R1.923 COCCCOCC(=O)C1CC1 34a_100000740835_100000746382 [0,0,0,1,0,0|3,0,0]=4 6891 B12R1.923 COCCCSCC(=O)C1CC1 62a_100000709357_100000746382 [0,0,0,1,0,0|3,0,0]=4 6892 B12R1.923 COCCCSCC(=O)C1CC1 62a_100000746382_100000709357 [0,0,0,1,0,0|3,0,0]=4 6893 B12R1.923 COCCOCCC(=O)C1CC1 1458a_100000210395_100000695917 [0,0,0,1,0,0|3,0,0]=4 6894 B12R1.923 CSCCCNCC(=O)C1CC1 2230a_100000749238_100000746382 [0,0,0,1,0,0|3,0,0]=4 6895 B12R1.923 CSCCCOCC(=O)C1CC1 34a_100000690336_100000746382 [0,0,0,1,0,0|3,0,0]=4 6896 B12R1.923 CSCCCOCC(=O)C1CC1 7a_100000690336_100000746382 [0,0,0,1,0,0|3,0,0]=4 6897 B12R1.923 N#CCCCCCC(=O)C1CC1 1458a_100000210395_100009813376 [0,0,0,1,0,0|2,0,1]=4 6898 B12R1.923 NCCCCOCC(=O)C1CC1 34a_100000750430_100000746382 [0,0,0,1,0,0|3,0,0]=4 6899 B12R1.923 O=C(CCCCCCF)C1CC1 1458a_100000210395_100015922095 [0,0,0,1,0,0|2,0,0]=3 6900 B12R1.923 O=C(CCCCCCF)C1CO1 1458a_100000701028_100015922095 [0,0,0,1,0,0|3,0,0]=4 6901 B12R1.923 O=C(CCCCCCO)C1CC1 1458a_100000210395_100000766143 [0,0,0,1,0,0|2,0,0]=3 6902 B12R1.923 O=C(CCCCCCO)C1CO1 1458a_100000701028_100000766143 [0,0,0,1,0,0|3,0,0]=4 6903 B12R1.923 O=C(CNCCCCO)C1CC1 2230a_100000750430_100000746382 [0,0,0,1,0,0|3,0,0]=4 6904 B12R1.923 O=C(CNCCCCO)C1CC1 34a_100000750430_100000746382 [0,0,0,1,0,0|3,0,0]=4 6905 B12R1.923 O=C(COCCCCBr)C1CC1 34a_100011216708_100000746382 [0,0,0,1,0,0|3,0,0]=4 6906 B12R1.923 O=C(COCCCCCl)C1CC1 34a_100000210776_100000746382 [0,0,0,1,0,0|3,0,0]=4 6907 B12R1.923 O=C(COCCCCCl)C1CC1 7a_100000210776_100000746382 [0,0,0,1,0,0|3,0,0]=4 6908 B12R1.923 O=C(COCCCCF)C1CC1 34a_100000686663_100000729493 [0,0,0,1,0,0|3,0,0]=4 6909 B12R1.923 O=C(COCCCCF)C1CC1 34a_100011995726_100000746382 [0,0,0,1,0,0|3,0,0]=4 6910 B12R1.923 O=C(COCCCCF)C1CC1 7a_100011995726_100000746382 [0,0,0,1,0,0|3,0,0]=4 6911 B12R1.923 O=C(COCCCCI)C1CC1 34a_200012148704_100000746382 [0,0,0,1,0,0|3,0,0]=4 6912 B12R1.923 O=C(COCCCCO)C1CC1 34a_100000686663_100011216708 [0,0,0,1,0,0|3,0,0]=4 6913 B12R1.923 O=C(CSCCCCF)C1CC1 62a_100000729493_100000746382 [0,0,0,1,0,0|3,0,0]=4 6914 B12R1.923 O=C(CSCCCCF)C1CC1 62a_100000746382_100000729493 [0,0,0,1,0,0|3,0,0]=4 6915 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000210776_100000746382 [0,0,0,1,0,0|3,0,0]=4 6916 B12R1.923 O=C(CSCCCCO)C1CC1 62a_100000746382_100000210776 [0,0,0,1,0,0|3,0,0]=4 6917 B12R1.923 O=C(NCCCCCO)C1CC1 240690a_100000762737_100000210395 [0,0,0,1,0,0|3,0,0]=4 6918 B12R1.1419 CCCCCN1CC(C1)OCC 269982a_100000732654_100000210215 [0,0,0,1,0,0|2,0,1]=4 6919 B12R1.1419 CCCCCN1CC(C1)OCC 34a_100000732654_100000718602 [0,0,0,1,0,0|2,0,1]=4 6920 B12R1.1505 C=COC(=O)COCC1CC1C 34a_100000744939_100000036128 [0,0,0,1,0,0|1,0,2]=4 6921 B12R1.1505 CC1CC1COCC(=O)NCO 34a_100000744939_100000185155 [0,0,0,1,0,0|3,0,0]=4 6922 B12R1.1505 CC1CC1COCC(=O)NCO 7a_100000744939_100000185155 [0,0,0,1,0,0|3,0,0]=4 6923 B12R1.1505 CCCC(=O)COCC1CC1C 7a_100000744939_100000747444 [0,0,0,1,0,0|2,0,0]=3 6924 B12R1.1505 CCNC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000737597 [0,0,0,1,0,0|3,0,0]=4 6925 B12R1.1505 CCNC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000737597 [0,0,0,1,0,0|3,0,0]=4 6926 B12R1.1505 CCNC(=O)COCC1CC1C 34a_100000744939_100000183381 [0,0,0,1,0,0|2,0,0]=3 6927 B12R1.1505 CCNC(=O)COCC1CC1C 7a_100000744939_100000183381 [0,0,0,1,0,0|2,0,0]=3 6928 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011206558 [0,0,0,1,0,0|2,0,0]=3 6929 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100011206558 [0,0,0,1,0,0|2,0,0]=3 6930 B12R1.1505 CCOC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000765890 [0,0,0,1,0,0|2,0,0]=3 6931 B12R1.1505 CCOC(=O)COCC1CC1C 34a_100000744939_100000188475 [0,0,0,1,0,0|1,0,0]=2 6932 B12R1.1505 CCOC(=O)COCC1CC1C 7a_100000744939_100000188475 [0,0,0,1,0,0|1,0,0]=2 6933 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100000749507_100000184674 [0,0,0,1,0,0|1,0,2]=4 6934 B12R1.1564 C#CCC(=O)C1CCCCCC1 1458a_100011220946_100011217769 [0,0,0,1,0,0|1,0,2]=4 6935 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000210193_100011217769 [0,0,0,1,0,0|1,0,2]=4 6936 B12R1.1564 C=CCC(=O)C1CCCCCC1 1458a_100000749507_100000210623 [0,0,0,1,0,0|1,0,2]=4 6937 B12R1.1564 CC#CC(=O)C1CCCCCC1 1458a_100000763181_100011217769 [0,0,0,1,0,0|1,0,1]=3 6938 B12R1.1564 CC=CC(=O)C1CCCCCC1 1458a_100000210699_100011217769 [0,0,0,1,0,0|1,0,1]=3 6939 B12R1.1564 CC=CC(=O)N1CCCCCC1 11a_100000185865_100000210699 [0,0,0,1,0,0|2,0,1]=4 6940 B12R1.1564 CC=CC(=O)N1CCCCCC1 1626a_100000185865_100000210699 [0,0,0,1,0,0|2,0,1]=4 6941 B12R1.1564 CC=CC(=O)N1CCCCCC1 240690a_100000185865_100000210699 [0,0,0,1,0,0|2,0,1]=4 6942 B12R1.1564 CCCC(=O)C1CCC=CCC1 1458a_100000048548_100000210303 [0,0,0,1,0,0|1,0,2]=4 6943 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000211992_100011217769 [0,0,0,1,0,0|1,0,0]=2 6944 B12R1.1564 CCCC(=O)C1CCCCCC1 1458a_100000749507_100000210303 [0,0,0,1,0,0|1,0,0]=2 6945 B12R1.1564 CCCC(=O)N1CCCCCC1 11a_100000185865_100000211992 [0,0,0,1,0,0|2,0,0]=3 6946 B12R1.1564 CCCC(=O)N1CCCCCC1 1626a_100000185865_100000211992 [0,0,0,1,0,0|2,0,0]=3 6947 B12R1.1564 CCCC(=O)N1CCCCCC1 240690a_100000185865_100000211992 [0,0,0,1,0,0|2,0,0]=3 6948 B12R1.1564 CCCC(=O)N1CCCCCC1 527a_100000185865_100000211992 [0,0,0,1,0,0|2,0,0]=3 6949 B12R1.1564 CCCC(=O)N1CCCOCC1 11a_100000685342_100000211992 [0,0,0,1,0,0|3,0,0]=4 6950 B12R1.1564 CCCC(=O)N1CCCOCC1 1626a_100000685342_100000211992 [0,0,0,1,0,0|3,0,0]=4 6951 B12R1.1564 CCCC(=O)N1CCCOCC1 240690a_100000685342_100000211992 [0,0,0,1,0,0|3,0,0]=4 6952 B12R1.1564 CCCC(=O)N1CCCOCC1 527a_100000685342_100000211992 [0,0,0,1,0,0|3,0,0]=4 6953 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015185097_100000210303 [0,0,0,1,0,0|3,0,0]=4 6954 B12R1.1564 CCCN(C)C1CCCCCC1 2230a_100015187045_200000210301 [0,0,0,1,0,0|3,0,0]=4 6955 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100000747261_100011217769 [0,0,0,1,0,0|3,0,0]=4 6956 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015185097_100000210303 [0,0,0,1,0,0|3,0,0]=4 6957 B12R1.1564 CCCN(C)C1CCCCCC1 269982a_100015187045_200000210301 [0,0,0,1,0,0|3,0,0]=4 6958 B12R1.1564 CCCN(C)C1CCCCCC1 270004a_100000747261_100000210131 [0,0,0,1,0,0|3,0,0]=4 6959 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015185097_100000210303 [0,0,0,1,0,0|3,0,0]=4 6960 B12R1.1564 CCCN(C)C1CCCCCC1 34a_100015187045_200000210301 [0,0,0,1,0,0|3,0,0]=4 6961 B12R1.1564 CCCN([13CH3])C1CCCCCC1 2230a_100015187045_200025704644 [0,0,0,1,0,0|3,0,0]=4 6962 B12R1.1564 CCCN([13CH3])C1CCCCCC1 269982a_100015187045_200025704644 [0,0,0,1,0,0|3,0,0]=4 6963 B12R1.1564 CCCN([13CH3])C1CCCCCC1 34a_100015187045_200025704644 [0,0,0,1,0,0|3,0,0]=4 6964 B12R1.1564 CCNC(=O)C1CCC=CCC1 11a_100015525214_100000048548 [0,0,0,1,0,0|1,0,2]=4 6965 B12R1.1564 CCNC(=O)C1CCC=CCC1 240690a_100015525214_100000048548 [0,0,0,1,0,0|1,0,2]=4 6966 B12R1.1564 CCNC(=O)C1CCC=CCC1 527a_100015525214_100000048548 [0,0,0,1,0,0|1,0,2]=4 6967 B12R1.1564 CCNC(=O)C1CCCCCC1 11a_100015525214_100000749507 [0,0,0,1,0,0|1,0,0]=2 6968 B12R1.1564 CCNC(=O)C1CCCCCC1 240690a_100015525214_100000749507 [0,0,0,1,0,0|1,0,0]=2 6969 B12R1.1564 CCNC(=O)C1CCCCCC1 527a_100015525214_100000749507 [0,0,0,1,0,0|1,0,0]=2 6970 B12R1.1564 CCNC(=O)N1CCCCCC1 2708a_100015525214_100000185865 [0,0,0,1,0,0|2,0,0]=3 6971 B12R1.1564 CCNC(=O)N1CCCCCC1 273464a_100015525214_100000185865 [0,0,0,1,0,0|2,0,0]=3 6972 B12R1.1564 CCNC(=O)N1CCCOCC1 2708a_100015525214_100000685342 [0,0,0,1,0,0|3,0,0]=4 6973 B12R1.1564 CCNC(=O)N1CCCOCC1 273464a_100015525214_100000685342 [0,0,0,1,0,0|3,0,0]=4 6974 B12R1.1564 CNCC(=O)N1CCCCCC1 2230a_106832991635_100000182869 [0,0,0,1,0,0|3,0,0]=4 6975 B12R1.1564 CNCC(=O)N1CCCCCC1 34a_100102657272_100000182869 [0,0,0,1,0,0|3,0,0]=4 6976 B12R1.1564 CNCC(=O)N1CCCCCC1 7a_106832991635_100000182869 [0,0,0,1,0,0|3,0,0]=4 6977 B12R1.1564 CNNC(=O)C1CCCCCC1 22a_100016993582_100000749507 [0,0,0,1,0,0|2,0,0]=3 6978 B12R1.1564 COCC(=O)C1CCCCCC1 1458a_100000210968_100011217769 [0,0,0,1,0,0|2,0,0]=3 6979 B12R1.1564 COCC(=O)N1CCCCCC1 11a_100000185865_100000210968 [0,0,0,1,0,0|3,0,0]=4 6980 B12R1.1564 COCC(=O)N1CCCCCC1 1626a_100000185865_100000210968 [0,0,0,1,0,0|3,0,0]=4 6981 B12R1.1564 COCC(=O)N1CCCCCC1 240690a_100000185865_100000210968 [0,0,0,1,0,0|3,0,0]=4 6982 B12R1.1564 COCC(=O)N1CCCCCC1 34a_100138415774_100000182869 [0,0,0,1,0,0|3,0,0]=4 6983 B12R1.1564 COCC(=O)N1CCCCCC1 527a_100000185865_100000210968 [0,0,0,1,0,0|3,0,0]=4 6984 B12R1.1564 CSCC(=O)C1CCCCCC1 1458a_100000184570_100011217769 [0,0,0,1,0,0|2,0,0]=3 6985 B12R1.1564 CSCC(=O)N1CCCCCC1 11a_100000185865_100000184570 [0,0,0,1,0,0|3,0,0]=4 6986 B12R1.1564 CSCC(=O)N1CCCCCC1 1626a_100000185865_100000184570 [0,0,0,1,0,0|3,0,0]=4 6987 B12R1.1564 CSCC(=O)N1CCCCCC1 240690a_100000185865_100000184570 [0,0,0,1,0,0|3,0,0]=4 6988 B12R1.1564 CSCC(=O)N1CCCCCC1 527a_100000185865_100000184570 [0,0,0,1,0,0|3,0,0]=4 6989 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_100000182869_200000210301 [0,0,0,1,0,0|3,0,0]=4 6990 B12R1.1564 CSCC(=O)N1CCCCCC1 62a_200000210301_100000182869 [0,0,0,1,0,0|3,0,0]=4 6991 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100000749507_100011214920 [0,0,0,1,0,0|2,0,1]=4 6992 B12R1.1564 N#CCC(=O)C1CCCCCC1 1458a_100051588842_100011217769 [0,0,0,1,0,0|2,0,1]=4 6993 B12R1.1564 O=C(C=CBr)C1CCCCCC1 1458a_100016273825_100011217769 [0,0,0,1,0,0|2,0,1]=4 6994 B12R1.1564 O=C(C=CCl)C1CCCCCC1 1458a_200016279998_100011217769 [0,0,0,1,0,0|2,0,1]=4 6995 B12R1.1564 O=C(C=CI)C1CCCCCC1 1458a_100016256311_100011217769 [0,0,0,1,0,0|2,0,1]=4 6996 B12R1.1564 O=C(CCF)C1CCCCCC1 1458a_100000749507_100011217306 [0,0,0,1,0,0|2,0,0]=3 6997 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100000749507_100000211926 [0,0,0,1,0,0|2,0,0]=3 6998 B12R1.1564 O=C(CCO)C1CCCCCC1 1458a_100011216618_100011217769 [0,0,0,1,0,0|2,0,0]=3 6999 B12R1.1564 O=C(CCO)N1CCCCCC1 240690a_100000185865_100011216618 [0,0,0,1,0,0|3,0,0]=4 7000 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_100000182869_200025704644 [0,0,0,1,0,0|3,0,0]=4 7001 B12R1.1564 [13CH3]SCC(=O)N1CCCCCC1 62a_200025704644_100000182869 [0,0,0,1,0,0|3,0,0]=4 7002 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [2,0,0,0,0,0|1,0,1]=4 7003 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [2,0,0,0,0,0|1,0,1]=4 7004 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [2,0,0,0,0,0|2,0,0]=4 7005 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [2,0,0,0,0,0|2,0,0]=4 7006 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [2,0,0,0,0,0|2,0,0]=4 7007 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [2,0,0,0,0,0|2,0,0]=4 7008 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [2,0,0,0,0,0|2,0,0]=4 7009 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [2,0,0,0,0,0|2,0,0]=4 7010 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [2,0,0,0,0,0|2,0,0]=4 7011 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [2,0,0,0,0,0|2,0,0]=4 7012 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [2,0,0,0,0,0|2,0,0]=4 7013 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [2,0,0,0,0,0|2,0,0]=4 7014 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|1,0,0]=3 7015 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|1,0,0]=3 7016 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [2,0,0,0,0,0|2,0,0]=4 7017 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [2,0,0,0,0,0|2,0,0]=4 7018 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [2,0,0,0,0,0|2,0,0]=4 7019 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 7020 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|2,0,0]=4 7021 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 7022 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|2,0,0]=4 7023 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|2,0,0]=4 7024 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|2,0,0]=4 7025 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|2,0,0]=4 7026 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|2,0,0]=4 7027 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|2,0,0]=4 7028 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|2,0,0]=4 7029 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 7030 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 7031 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [2,0,0,0,0,0|1,0,0]=3 7032 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [2,0,0,0,0,0|2,0,0]=4 7033 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [2,0,0,0,0,0|1,0,1]=4 7034 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [2,0,0,0,0,0|1,0,1]=4 7035 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [2,0,0,0,0,0|1,0,1]=4 7036 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 7037 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 7038 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 7039 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,0,0,0,0|2,0,0]=4 7040 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 7041 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 7042 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 7043 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 7044 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [2,0,0,0,0,0|2,0,0]=4 7045 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [2,0,0,0,0,0|2,0,0]=4 7046 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [2,0,0,0,0,0|2,0,0]=4 7047 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [2,0,0,0,0,0|2,0,0]=4 7048 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 7049 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 7050 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [2,0,0,0,0,0|2,0,0]=4 7051 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [2,0,0,0,0,0|2,0,0]=4 7052 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [2,0,0,0,0,0|1,0,0]=3 7053 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [2,0,0,0,0,0|2,0,0]=4 7054 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [2,0,0,0,0,0|2,0,0]=4 7055 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [2,0,0,0,0,0|2,0,0]=4 7056 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 7057 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 7058 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [2,0,0,0,0,0|2,0,0]=4 7059 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [2,0,0,0,0,0|2,0,0]=4 7060 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [2,0,0,0,0,0|2,0,0]=4 7061 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [2,0,0,0,0,0|1,0,0]=3 7062 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [2,0,0,0,0,0|1,0,0]=3 7063 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 7064 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 7065 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [2,0,0,0,0,0|2,0,0]=4 7066 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 7067 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 7068 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [2,0,0,0,0,0|2,0,0]=4 7069 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 7070 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 7071 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [2,0,0,0,0,0|2,0,0]=4 7072 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 7073 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 7074 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [2,0,0,0,0,0|2,0,0]=4 7075 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [2,0,0,0,0,0|2,0,0]=4 7076 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [2,0,0,0,0,0|2,0,0]=4 7077 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [2,0,0,0,0,0|2,0,0]=4 7078 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [2,0,0,0,0,0|2,0,0]=4 7079 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [2,0,0,0,0,0|1,0,0]=3 7080 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [2,0,0,0,0,0|1,0,0]=3 7081 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [2,0,0,0,0,0|1,0,0]=3 7082 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [2,0,0,0,0,0|1,0,0]=3 7083 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [2,0,0,0,0,0|1,0,0]=3 7084 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [2,0,0,0,0,0|1,0,0]=3 7085 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [2,0,0,0,0,0|1,0,0]=3 7086 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [2,0,0,0,0,0|1,0,0]=3 7087 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [2,0,0,0,0,0|1,0,0]=3 7088 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [2,0,0,0,0,0|1,0,0]=3 7089 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [2,0,0,0,0,0|1,0,0]=3 7090 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [2,0,0,0,0,0|1,0,0]=3 7091 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [2,0,0,0,0,0|1,0,0]=3 7092 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [2,0,0,0,0,0|2,0,0]=4 7093 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [2,0,0,0,0,0|2,0,0]=4 7094 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [2,0,0,0,0,0|2,0,0]=4 7095 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [2,0,0,0,0,0|2,0,0]=4 7096 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [2,0,0,0,0,0|2,0,0]=4 7097 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [2,0,0,0,0,0|2,0,0]=4 7098 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [2,0,0,0,0,0|2,0,0]=4 7099 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [2,0,0,0,0,0|2,0,0]=4 7100 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [2,0,0,0,0,0|2,0,0]=4 7101 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [2,0,0,0,0,0|2,0,0]=4 7102 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [2,0,0,0,0,0|2,0,0]=4 7103 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [2,0,0,0,0,0|2,0,0]=4 7104 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [2,0,0,0,0,0|2,0,0]=4 7105 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [2,0,0,0,0,0|2,0,0]=4 7106 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [2,0,0,0,0,0|2,0,0]=4 7107 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [2,0,0,0,0,0|2,0,0]=4 7108 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [2,0,0,0,0,0|2,0,0]=4 7109 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [2,0,0,0,0,0|2,0,0]=4 7110 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [2,0,0,0,0,0|2,0,0]=4 7111 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [2,0,0,0,0,0|2,0,0]=4 7112 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [2,0,0,0,0,0|2,0,0]=4 7113 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [2,0,0,0,0,0|1,0,0]=3 7114 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [2,0,0,0,0,0|0,0,2]=4 7115 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [2,0,0,0,0,0|0,0,2]=4 7116 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [2,0,0,0,0,0|0,0,2]=4 7117 B9R0.45 C/C=C/CCOCCCC 34a_100016278192_100000210210 [2,0,0,0,0,0|1,0,1]=4 7118 B9R0.45 C/C=C/COCCCCC 34a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 7119 B9R0.45 C/C=C/COCCCCC 34a_100016270725_100000718602 [2,0,0,0,0,0|1,0,1]=4 7120 B9R0.45 C/C=C/COCCCCC 7a_100000210253_100102629194 [2,0,0,0,0,0|1,0,1]=4 7121 B9R0.45 C/C=C/CSCCCCC 62a_100000210326_100102629194 [2,0,0,0,0,0|1,0,1]=4 7122 B9R0.45 C/C=C/CSCCCCC 62a_100102629194_100000210326 [2,0,0,0,0,0|1,0,1]=4 7123 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [2,0,0,0,0,0|0,0,2]=4 7124 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [2,0,0,0,0,0|0,0,2]=4 7125 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [2,0,0,0,0,0|0,0,2]=4 7126 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [2,0,0,0,0,0|0,0,2]=4 7127 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [2,0,0,0,0,0|0,0,2]=4 7128 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 7129 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [2,0,0,0,0,0|1,0,1]=4 7130 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 7131 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [2,0,0,0,0,0|1,0,1]=4 7132 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [2,0,0,0,0,0|1,0,1]=4 7133 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [2,0,0,0,0,0|1,0,1]=4 7134 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [2,0,0,0,0,0|1,0,1]=4 7135 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [2,0,0,0,0,0|1,0,1]=4 7136 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [2,0,0,0,0,0|1,0,1]=4 7137 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [2,0,0,0,0,0|1,0,1]=4 7138 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [2,0,0,0,0,0|1,0,1]=4 7139 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [2,0,0,0,0,0|1,0,1]=4 7140 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [2,0,0,0,0,0|1,0,1]=4 7141 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [2,0,0,0,0,0|1,0,1]=4 7142 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [2,0,0,0,0,0|1,0,1]=4 7143 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [2,0,0,0,0,0|1,0,1]=4 7144 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [2,0,0,0,0,0|1,0,1]=4 7145 B9R0.45 CC=CCNCCCCC 2230a_100000209983_100000070051 [2,0,0,0,0,0|1,0,1]=4 7146 B9R0.45 CC=CCOCCCCC 34a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 7147 B9R0.45 CC=CCOCCCCC 7a_100000210253_100000070051 [2,0,0,0,0,0|1,0,1]=4 7148 B9R0.45 CC=CCSCCCCC 62a_100000070051_100000210326 [2,0,0,0,0,0|1,0,1]=4 7149 B9R0.45 CC=CCSCCCCC 62a_100000210326_100000070051 [2,0,0,0,0,0|1,0,1]=4 7150 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [2,0,0,0,0,0|2,0,0]=4 7151 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [2,0,0,0,0,0|0,0,2]=4 7152 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [2,0,0,0,0,0|0,0,2]=4 7153 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [2,0,0,0,0,0|0,0,2]=4 7154 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [2,0,0,0,0,0|0,0,2]=4 7155 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [2,0,0,0,0,0|0,0,2]=4 7156 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [2,0,0,0,0,0|0,0,2]=4 7157 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 7158 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 7159 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [2,0,0,0,0,0|1,0,1]=4 7160 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [2,0,0,0,0,0|1,0,1]=4 7161 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [2,0,0,0,0,0|1,0,1]=4 7162 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 7163 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [2,0,0,0,0,0|1,0,1]=4 7164 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [2,0,0,0,0,0|0,0,1]=3 7165 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [2,0,0,0,0,0|0,0,1]=3 7166 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [2,0,0,0,0,0|0,0,1]=3 7167 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [2,0,0,0,0,0|0,0,1]=3 7168 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [2,0,0,0,0,0|0,0,1]=3 7169 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [2,0,0,0,0,0|0,1,1]=4 7170 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [2,0,0,0,0,0|0,1,1]=4 7171 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [2,0,0,0,0,0|0,1,1]=4 7172 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [2,0,0,0,0,0|0,1,1]=4 7173 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [2,0,0,0,0,0|1,0,0]=3 7174 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [2,0,0,0,0,0|1,0,0]=3 7175 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [2,0,0,0,0,0|0,0,0]=2 7176 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [2,0,0,0,0,0|0,0,0]=2 7177 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [2,0,0,0,0,0|0,0,0]=2 7178 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [2,0,0,0,0,0|1,0,0]=3 7179 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [2,0,0,0,0,0|1,0,0]=3 7180 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [2,0,0,0,0,0|0,1,0]=3 7181 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [2,0,0,0,0,0|0,1,0]=3 7182 B9R0.45 CCCCCCCSCF 62a_100000210614_100015361967 [2,0,0,0,0,0|1,1,0]=4 7183 B9R0.45 CCCCCCCSCF 62a_100015361967_100000210316 [2,0,0,0,0,0|1,1,0]=4 7184 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [2,0,0,0,0,0|1,0,1]=4 7185 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [2,0,0,0,0,0|1,0,1]=4 7186 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [2,0,0,0,0,0|1,0,1]=4 7187 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 7188 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [2,0,0,0,0,0|1,0,1]=4 7189 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [2,0,0,0,0,0|1,0,1]=4 7190 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [2,0,0,0,0,0|1,0,1]=4 7191 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [2,0,0,0,0,0|1,0,1]=4 7192 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [2,0,0,0,0,0|1,0,1]=4 7193 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [2,0,0,0,0,0|1,0,1]=4 7194 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [2,0,0,0,0,0|1,0,1]=4 7195 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [2,0,0,0,0,0|1,0,1]=4 7196 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [2,0,0,0,0,0|1,0,1]=4 7197 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [2,0,0,0,0,0|1,0,1]=4 7198 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [2,0,0,0,0,0|1,0,1]=4 7199 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [2,0,0,0,0,0|1,0,1]=4 7200 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [2,0,0,0,0,0|1,0,1]=4 7201 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [2,0,0,0,0,0|1,0,1]=4 7202 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [2,0,0,0,0,0|1,0,1]=4 7203 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [2,0,0,0,0,0|1,0,1]=4 7204 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [2,0,0,0,0,0|1,0,1]=4 7205 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [2,0,0,0,0,0|1,0,1]=4 7206 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [2,0,0,0,0,0|1,0,1]=4 7207 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [2,0,0,0,0,0|1,0,1]=4 7208 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [2,0,0,0,0,0|1,0,1]=4 7209 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [2,0,0,0,0,0|1,0,1]=4 7210 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [2,0,0,0,0,0|1,0,1]=4 7211 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [2,0,0,0,0,0|1,0,1]=4 7212 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [2,0,0,0,0,0|1,0,1]=4 7213 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [2,0,0,0,0,0|1,0,1]=4 7214 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [2,0,0,0,0,0|1,0,1]=4 7215 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [2,0,0,0,0,0|1,0,0]=3 7216 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [2,0,0,0,0,0|1,0,0]=3 7217 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [2,0,0,0,0,0|1,0,1]=4 7218 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [2,0,0,0,0,0|1,0,1]=4 7219 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [2,0,0,0,0,0|1,0,1]=4 7220 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [2,0,0,0,0,0|1,0,0]=3 7221 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [2,0,0,0,0,0|1,0,0]=3 7222 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [2,0,0,0,0,0|1,0,0]=3 7223 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [2,0,0,0,0,0|1,0,0]=3 7224 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [2,0,0,0,0,0|1,1,0]=4 7225 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [2,0,0,0,0,0|1,1,0]=4 7226 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [2,0,0,0,0,0|1,1,0]=4 7227 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [2,0,0,0,0,0|1,0,1]=4 7228 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [2,0,0,0,0,0|1,0,1]=4 7229 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [2,0,0,0,0,0|1,0,1]=4 7230 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [2,0,0,0,0,0|1,0,1]=4 7231 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [2,0,0,0,0,0|1,0,1]=4 7232 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [2,0,0,0,0,0|1,0,1]=4 7233 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [2,0,0,0,0,0|1,0,1]=4 7234 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [2,0,0,0,0,0|2,0,0]=4 7235 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [2,0,0,0,0,0|1,0,0]=3 7236 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [2,0,0,0,0,0|1,0,0]=3 7237 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [2,0,0,0,0,0|1,0,0]=3 7238 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [2,0,0,0,0,0|1,0,0]=3 7239 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [2,0,0,0,0,0|1,0,0]=3 7240 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [2,0,0,0,0,0|1,0,0]=3 7241 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [2,0,0,0,0,0|1,0,0]=3 7242 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [2,0,0,0,0,0|2,0,0]=4 7243 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [2,0,0,0,0,0|2,0,0]=4 7244 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [2,0,0,0,0,0|1,1,0]=4 7245 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [2,0,0,0,0,0|1,1,0]=4 7246 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [2,0,0,0,0,0|1,1,0]=4 7247 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [2,0,0,0,0,0|1,1,0]=4 7248 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [2,0,0,0,0,0|1,1,0]=4 7249 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [2,0,0,0,0,0|1,1,0]=4 7250 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [2,0,0,0,0,0|1,0,1]=4 7251 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [2,0,0,0,0,0|1,0,1]=4 7252 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [2,0,0,0,0,0|2,0,0]=4 7253 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [2,0,0,0,0,0|1,0,0]=3 7254 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [2,0,0,0,0,0|1,0,0]=3 7255 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [2,0,0,0,0,0|1,0,0]=3 7256 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [2,0,0,0,0,0|1,0,0]=3 7257 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [2,0,0,0,0,0|2,0,0]=4 7258 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [2,0,0,0,0,0|2,0,0]=4 7259 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [2,0,0,0,0,0|1,1,0]=4 7260 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [2,0,0,0,0,0|1,1,0]=4 7261 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [2,0,0,0,0,0|1,0,0]=3 7262 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [2,0,0,0,0,0|1,0,0]=3 7263 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [2,0,0,0,0,0|1,0,1]=4 7264 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [2,0,0,0,0,0|1,0,1]=4 7265 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 7266 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [2,0,0,0,0,0|2,0,0]=4 7267 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [2,0,0,0,0,0|1,0,0]=3 7268 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [2,0,0,0,0,0|1,0,0]=3 7269 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [2,0,0,0,0,0|1,0,0]=3 7270 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [2,0,0,0,0,0|1,1,0]=4 7271 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [2,0,0,0,0,0|1,1,0]=4 7272 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [2,0,0,0,0,0|1,0,1]=4 7273 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [2,0,0,0,0,0|1,0,1]=4 7274 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [2,0,0,0,0,0|1,0,0]=3 7275 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [2,0,0,0,0,0|1,0,0]=3 7276 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [2,0,0,0,0,0|2,0,0]=4 7277 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [2,0,0,0,0,0|2,0,0]=4 7278 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [2,0,0,0,0,0|2,0,0]=4 7279 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [2,0,0,0,0,0|2,0,0]=4 7280 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [2,0,0,0,0,0|1,0,1]=4 7281 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [2,0,0,0,0,0|1,0,1]=4 7282 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [2,0,0,0,0,0|1,0,0]=3 7283 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [2,0,0,0,0,0|1,0,0]=3 7284 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [2,0,0,0,0,0|1,0,0]=3 7285 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [2,0,0,0,0,0|1,0,0]=3 7286 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [2,0,0,0,0,0|1,0,0]=3 7287 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [2,0,0,0,0,0|1,0,0]=3 7288 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [2,0,0,0,0,0|1,0,0]=3 7289 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [2,0,0,0,0,0|1,0,0]=3 7290 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [2,0,0,0,0,0|1,0,0]=3 7291 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [2,0,0,0,0,0|1,0,0]=3 7292 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [2,0,0,0,0,0|2,0,0]=4 7293 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [2,0,0,0,0,0|2,0,0]=4 7294 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [2,0,0,0,0,0|2,0,0]=4 7295 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 7296 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [2,0,0,0,0,0|2,0,0]=4 7297 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [2,0,0,0,0,0|2,0,0]=4 7298 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [2,0,0,0,0,0|2,0,0]=4 7299 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [2,0,0,0,0,0|2,0,0]=4 7300 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [2,0,0,0,0,0|2,0,0]=4 7301 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [2,0,0,0,0,0|2,0,0]=4 7302 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [2,0,0,0,0,0|2,0,0]=4 7303 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [2,0,0,0,0,0|2,0,0]=4 7304 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [2,0,0,0,0,0|2,0,0]=4 7305 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [2,0,0,0,0,0|2,0,0]=4 7306 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 7307 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [2,0,0,0,0,0|2,0,0]=4 7308 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [2,0,0,0,0,0|2,0,0]=4 7309 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [2,0,0,0,0,0|2,0,0]=4 7310 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [2,0,0,0,0,0|2,0,0]=4 7311 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [2,0,0,0,0,0|2,0,0]=4 7312 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [2,0,0,0,0,0|2,0,0]=4 7313 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [2,0,0,0,0,0|2,0,0]=4 7314 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [2,0,0,0,0,0|2,0,0]=4 7315 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [2,0,0,0,0,0|2,0,0]=4 7316 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [2,0,0,0,0,0|2,0,0]=4 7317 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [2,0,0,0,0,0|2,0,0]=4 7318 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [2,0,0,0,0,0|2,0,0]=4 7319 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [2,0,0,0,0,0|2,0,0]=4 7320 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [2,0,0,0,0,0|2,0,0]=4 7321 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 7322 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [2,0,0,0,0,0|2,0,0]=4 7323 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [2,0,0,0,0,0|2,0,0]=4 7324 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [2,0,0,0,0,0|2,0,0]=4 7325 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [2,0,0,0,0,0|2,0,0]=4 7326 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [2,0,0,0,0,0|2,0,0]=4 7327 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [2,0,0,0,0,0|2,0,0]=4 7328 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [2,0,0,0,0,0|2,0,0]=4 7329 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [2,0,0,0,0,0|2,0,0]=4 7330 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [2,0,0,0,0,0|2,0,0]=4 7331 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [2,0,0,0,0,0|2,0,0]=4 7332 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [2,0,0,0,0,0|2,0,0]=4 7333 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [2,0,0,0,0,0|2,0,0]=4 7334 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [2,0,0,0,0,0|2,0,0]=4 7335 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [2,0,0,0,0,0|2,0,0]=4 7336 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [2,0,0,0,0,0|2,0,0]=4 7337 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [2,0,0,0,0,0|2,0,0]=4 7338 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [2,0,0,0,0,0|2,0,0]=4 7339 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [2,0,0,0,0,0|2,0,0]=4 7340 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [2,0,0,0,0,0|2,0,0]=4 7341 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [2,0,0,0,0,0|2,0,0]=4 7342 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [2,0,0,0,0,0|2,0,0]=4 7343 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [2,0,0,0,0,0|2,0,0]=4 7344 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [2,0,0,0,0,0|2,0,0]=4 7345 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [2,0,0,0,0,0|2,0,0]=4 7346 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [2,0,0,0,0,0|2,0,0]=4 7347 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [2,0,0,0,0,0|2,0,0]=4 7348 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [2,0,0,0,0,0|2,0,0]=4 7349 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [2,0,0,0,0,0|2,0,0]=4 7350 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [2,0,0,0,0,0|2,0,0]=4 7351 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [2,0,0,0,0,0|2,0,0]=4 7352 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [2,0,0,0,0,0|2,0,0]=4 7353 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [2,0,0,0,0,0|2,0,0]=4 7354 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [2,0,0,0,0,0|2,0,0]=4 7355 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [2,0,0,0,0,0|2,0,0]=4 7356 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [2,0,0,0,0,0|2,0,0]=4 7357 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [2,0,0,0,0,0|2,0,0]=4 7358 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [2,0,0,0,0,0|2,0,0]=4 7359 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [2,0,0,0,0,0|2,0,0]=4 7360 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [2,0,0,0,0,0|2,0,0]=4 7361 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [2,0,0,0,0,0|2,0,0]=4 7362 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [2,0,0,0,0,0|2,0,0]=4 7363 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [2,0,0,0,0,0|2,0,0]=4 7364 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [2,0,0,0,0,0|2,0,0]=4 7365 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [2,0,0,0,0,0|2,0,0]=4 7366 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [2,0,0,0,0,0|2,0,0]=4 7367 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [2,0,0,0,0,0|2,0,0]=4 7368 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [2,0,0,0,0,0|2,0,0]=4 7369 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [2,0,0,0,0,0|2,0,0]=4 7370 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [2,0,0,0,0,0|2,0,0]=4 7371 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [2,0,0,0,0,0|2,0,0]=4 7372 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [2,0,0,0,0,0|2,0,0]=4 7373 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [2,0,0,0,0,0|2,0,0]=4 7374 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [2,0,0,0,0,0|2,0,0]=4 7375 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [2,0,0,0,0,0|2,0,0]=4 7376 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [2,0,0,0,0,0|2,0,0]=4 7377 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [2,0,0,0,0,0|2,0,0]=4 7378 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [2,0,0,0,0,0|2,0,0]=4 7379 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [2,0,0,0,0,0|2,0,0]=4 7380 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [2,0,0,0,0,0|2,0,0]=4 7381 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [2,0,0,0,0,0|2,0,0]=4 7382 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [2,0,0,0,0,0|1,1,0]=4 7383 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [2,0,0,0,0,0|1,1,0]=4 7384 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [2,0,0,0,0,0|1,1,0]=4 7385 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [2,0,0,0,0,0|1,1,0]=4 7386 B9R0.45 CNCCCCCCOC 2230a_106832991635_100011998445 [2,0,0,0,0,0|1,0,1]=4 7387 B9R0.45 CNCCCCCCOC 34a_100102657272_100011998445 [2,0,0,0,0,0|1,0,1]=4 7388 B9R0.45 CNCCCCCCOC 7a_106832991635_100011998445 [2,0,0,0,0,0|1,0,1]=4 7389 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [2,0,0,0,0,0|2,0,0]=4 7390 B9R0.45 COCCCCCCCBr 34a_100000760002_200000210301 [2,0,0,0,0,0|1,0,1]=4 7391 B9R0.45 COCCCCCCCBr 7a_100000760002_200000210301 [2,0,0,0,0,0|1,0,1]=4 7392 B9R0.45 COCCCCCCCN 34a_100011996573_200000210301 [2,0,0,0,0,0|1,0,1]=4 7393 B9R0.45 COCCCCCCCO 34a_100138415774_100000760002 [2,0,0,0,0,0|1,0,1]=4 7394 B9R0.45 COCCCCCCOC 34a_100138415774_100011998445 [2,0,0,0,0,0|1,0,1]=4 7395 B9R0.45 COCCCCCCOC 34a_200012092642_200000210301 [2,0,0,0,0,0|1,0,1]=4 7396 B9R0.45 COCCCCCCOC 7a_200012092642_200000210301 [2,0,0,0,0,0|1,0,1]=4 7397 B9R0.45 COCCCCCCO[13CH3] 34a_200012092642_200025704644 [2,0,0,0,0,0|1,0,1]=4 7398 B9R0.45 COCCCCCCO[13CH3] 7a_200012092642_200025704644 [2,0,0,0,0,0|1,0,1]=4 7399 B9R0.45 COCCCCCCSC 62a_100011998445_200000210301 [2,0,0,0,0,0|1,0,1]=4 7400 B9R0.45 COCCCCCCSC 62a_200000210301_100011998445 [2,0,0,0,0,0|1,0,1]=4 7401 B9R0.45 COCCCCCCS[13CH3] 62a_100011998445_200025704644 [2,0,0,0,0,0|1,0,1]=4 7402 B9R0.45 COCCCCCCS[13CH3] 62a_200025704644_100011998445 [2,0,0,0,0,0|1,0,1]=4 7403 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [2,0,0,0,0,0|2,0,0]=4 7404 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [2,0,0,0,0,0|2,0,0]=4 7405 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [2,0,0,0,0,0|2,0,0]=4 7406 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [2,0,0,0,0,0|2,0,0]=4 7407 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [2,0,0,0,0,0|2,0,0]=4 7408 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [2,0,0,0,0,0|2,0,0]=4 7409 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [2,0,0,0,0,0|2,0,0]=4 7410 B9R0.45 [13CH3]OCCCCCCCBr 34a_100000760002_200025704644 [2,0,0,0,0,0|1,0,1]=4 7411 B9R0.45 [13CH3]OCCCCCCCBr 7a_100000760002_200025704644 [2,0,0,0,0,0|1,0,1]=4 7412 B9R0.45 [13CH3]OCCCCCCCN 34a_100011996573_200025704644 [2,0,0,0,0,0|1,0,1]=4 7413 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [2,0,0,0,0,0|0,0,2]=4 7414 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [2,0,0,0,0,0|0,0,2]=4 7415 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [2,0,0,0,0,0|0,0,2]=4 7416 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [2,0,0,0,0,0|0,0,2]=4 7417 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [2,0,0,0,0,0|0,0,2]=4 7418 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [2,0,0,0,0,0|0,0,2]=4 7419 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [2,0,0,0,0,0|0,0,2]=4 7420 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [2,0,0,0,0,0|1,0,1]=4 7421 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [2,0,0,0,0,0|1,0,0]=3 7422 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [2,0,0,0,0,0|1,0,0]=3 7423 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [2,0,0,0,0,0|1,0,0]=3 7424 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [2,0,0,0,0,0|1,0,0]=3 7425 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [2,0,0,0,0,0|2,0,0]=4 7426 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [2,0,0,0,0,0|2,0,0]=4 7427 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [2,0,0,0,0,0|2,0,0]=4 7428 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [2,0,0,0,0,0|2,0,0]=4 7429 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [2,0,0,0,0,0|2,0,0]=4 7430 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [2,0,0,0,0,0|2,0,0]=4 7431 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [2,0,0,0,0,0|2,0,0]=4 7432 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [2,0,0,0,0,0|2,0,0]=4 7433 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [2,0,0,0,0,0|2,0,0]=4 7434 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [2,0,0,0,0,0|2,0,0]=4 7435 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [2,0,0,0,0,0|2,0,0]=4 7436 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [2,0,0,0,0,0|2,0,0]=4 7437 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [2,0,0,0,0,0|2,0,0]=4 7438 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [2,0,0,0,0,0|2,0,0]=4 7439 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [2,0,0,0,0,0|2,0,0]=4 7440 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [2,0,0,0,0,0|2,0,0]=4 7441 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [2,0,0,0,0,0|2,0,0]=4 7442 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [2,0,0,0,0,0|2,0,0]=4 7443 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 7444 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 7445 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [2,0,0,0,0,0|2,0,0]=4 7446 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [2,0,0,0,0,0|2,0,0]=4 7447 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [2,0,0,0,0,0|2,0,0]=4 7448 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [2,0,0,0,0,0|2,0,0]=4 7449 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [2,0,0,0,0,0|2,0,0]=4 7450 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [2,0,0,0,0,0|0,0,2]=4 7451 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [2,0,0,0,0,0|0,0,2]=4 7452 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [2,0,0,0,0,0|0,0,0]=2 7453 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [2,0,0,0,0,0|0,0,0]=2 7454 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [2,0,0,0,0,0|1,0,0]=3 7455 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [2,0,0,0,0,0|1,0,0]=3 7456 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [2,0,0,0,0,0|1,0,0]=3 7457 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 7458 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 7459 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [2,0,0,0,0,0|1,0,0]=3 7460 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [2,0,0,0,0,0|1,0,1]=4 7461 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [2,0,0,0,0,0|1,0,1]=4 7462 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [2,0,0,0,0,0|1,0,1]=4 7463 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [2,0,0,0,0,0|1,0,1]=4 7464 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [2,0,0,0,0,0|1,0,1]=4 7465 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [2,0,0,0,0,0|2,0,0]=4 7466 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [2,0,0,0,0,0|2,0,0]=4 7467 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [2,0,0,0,0,0|2,0,0]=4 7468 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [2,0,0,0,0,0|2,0,0]=4 7469 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [2,0,0,0,0,0|1,0,0]=3 7470 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [2,0,0,0,0,0|1,0,0]=3 7471 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [2,0,0,0,0,0|1,0,0]=3 7472 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [2,0,0,0,0,0|1,0,0]=3 7473 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [2,0,0,0,0,0|2,0,0]=4 7474 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [2,0,0,0,0,0|2,0,0]=4 7475 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [2,0,0,0,0,0|2,0,0]=4 7476 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 7477 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 7478 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [2,0,0,0,0,0|2,0,0]=4 7479 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [2,0,0,0,0,0|2,0,0]=4 7480 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [2,0,0,0,0,0|2,0,0]=4 7481 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [2,0,0,0,0,0|1,0,0]=3 7482 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [2,0,0,0,0,0|2,0,0]=4 7483 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [2,0,0,0,0,0|2,0,0]=4 7484 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [2,0,0,0,0,0|2,0,0]=4 7485 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [2,0,0,0,0,0|1,0,0]=3 7486 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [2,0,0,0,0,0|1,0,0]=3 7487 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [2,0,0,0,0,0|2,0,0]=4 7488 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [2,0,0,0,0,0|1,0,0]=3 7489 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [2,0,0,0,0,0|1,0,0]=3 7490 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [2,0,0,0,0,0|1,0,0]=3 7491 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [2,0,0,0,0,0|1,0,0]=3 7492 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [2,0,0,0,0,0|2,0,0]=4 7493 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [2,0,0,0,0,0|2,0,0]=4 7494 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [2,0,0,0,0,0|2,0,0]=4 7495 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 7496 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 7497 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [2,0,0,0,0,0|2,0,0]=4 7498 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [2,0,0,0,0,0|2,0,0]=4 7499 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [2,0,0,0,0,0|2,0,0]=4 7500 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [2,0,0,0,0,0|2,0,0]=4 7501 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [2,0,0,0,0,0|1,0,0]=3 7502 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [2,0,0,0,0,0|1,0,0]=3 7503 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [2,0,0,0,0,0|1,0,0]=3 7504 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [2,0,0,0,0,0|1,0,0]=3 7505 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [2,0,0,0,0,0|1,0,0]=3 7506 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [2,0,0,0,0,0|2,0,0]=4 7507 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [2,0,0,0,0,0|2,0,0]=4 7508 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 7509 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 7510 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [2,0,0,0,0,0|2,0,0]=4 7511 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [2,0,0,0,0,0|2,0,0]=4 7512 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [2,0,0,0,0,0|2,0,0]=4 7513 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [2,0,0,0,0,0|1,0,0]=3 7514 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [2,0,0,0,0,0|1,0,0]=3 7515 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [2,0,0,0,0,0|2,0,0]=4 7516 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [2,0,0,0,0,0|2,0,0]=4 7517 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [2,0,0,0,0,0|1,0,0]=3 7518 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [2,0,0,0,0,0|2,0,0]=4 7519 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [2,0,0,0,0,0|2,0,0]=4 7520 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [2,0,0,0,0,0|2,0,0]=4 7521 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [2,0,0,0,0,0|1,0,0]=3 7522 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [2,0,0,0,0,0|2,0,0]=4 7523 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [2,0,0,0,0,0|2,0,0]=4 7524 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [2,0,0,0,0,0|1,0,0]=3 7525 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [2,0,0,0,0,0|1,0,0]=3 7526 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [2,0,0,0,0,0|2,0,0]=4 7527 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [2,0,0,0,0,0|2,0,0]=4 7528 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [2,0,0,0,0,0|2,0,0]=4 7529 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [2,0,0,0,0,0|2,0,0]=4 7530 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [2,0,0,0,0,0|1,0,0]=3 7531 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [2,0,0,0,0,0|2,0,0]=4 7532 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [2,0,0,0,0,0|1,0,0]=3 7533 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [2,0,0,0,0,0|2,0,0]=4 7534 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [2,0,0,0,0,0|2,0,0]=4 7535 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [2,0,0,0,0,0|1,0,0]=3 7536 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 7537 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [2,0,0,0,0,0|2,0,0]=4 7538 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 7539 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [2,0,0,0,0,0|2,0,0]=4 7540 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [2,0,0,0,0,0|2,0,0]=4 7541 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [2,0,0,0,0,0|2,0,0]=4 7542 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [2,0,0,0,0,0|2,0,0]=4 7543 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [2,0,0,0,0,0|2,0,0]=4 7544 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [2,0,0,0,0,0|2,0,0]=4 7545 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [2,0,0,0,0,0|2,0,0]=4 7546 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [2,0,0,0,0,0|2,0,0]=4 7547 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [2,0,0,0,0,0|2,0,0]=4 7548 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [2,0,0,0,0,0|2,0,0]=4 7549 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [2,0,0,0,0,0|2,0,0]=4 7550 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [2,0,0,0,0,0|2,0,0]=4 7551 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [2,0,0,0,0,0|1,0,0]=3 7552 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [2,0,0,0,0,0|1,0,0]=3 7553 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 7554 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 7555 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 7556 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [2,0,0,0,0,0|2,0,0]=4 7557 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [2,0,0,0,0,0|2,0,0]=4 7558 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 7559 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [2,0,0,0,0,0|1,0,0]=3 7560 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [2,0,0,0,0,0|1,0,0]=3 7561 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 7562 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [2,0,0,0,0,0|2,0,0]=4 7563 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [2,0,0,0,0,0|2,0,0]=4 7564 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [2,0,0,0,0,0|1,0,0]=3 7565 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [2,0,0,0,0,0|1,0,0]=3 7566 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [2,0,0,0,0,0|1,0,0]=3 7567 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [2,0,0,0,0,0|1,0,0]=3 7568 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [2,0,0,0,0,0|1,0,0]=3 7569 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [2,0,0,0,0,0|1,0,0]=3 7570 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [2,0,0,0,0,0|2,0,0]=4 7571 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [2,0,0,0,0,0|2,0,0]=4 7572 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [2,0,0,0,0,0|2,0,0]=4 7573 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [2,0,0,0,0,0|2,0,0]=4 7574 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [2,0,0,0,0,0|2,0,0]=4 7575 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [2,0,0,0,0,0|2,0,0]=4 7576 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [2,0,0,0,0,0|2,0,0]=4 7577 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [2,0,0,0,0,0|2,0,0]=4 7578 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [2,0,0,0,0,0|2,0,0]=4 7579 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [2,0,0,0,0,0|2,0,0]=4 7580 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [2,0,0,0,0,0|2,0,0]=4 7581 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [2,0,0,0,0,0|2,0,0]=4 7582 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [2,0,0,0,0,0|2,0,0]=4 7583 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [2,0,0,0,0,0|2,0,0]=4 7584 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [2,0,0,0,0,0|2,0,0]=4 7585 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [2,0,0,0,0,0|2,0,0]=4 7586 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [2,0,0,0,0,0|2,0,0]=4 7587 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [2,0,0,0,0,0|2,0,0]=4 7588 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [2,0,0,0,0,0|2,0,0]=4 7589 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [2,0,0,0,0,0|2,0,0]=4 7590 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [2,0,0,0,0,0|2,0,0]=4 7591 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [2,0,0,0,0,0|2,0,0]=4 7592 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [2,0,0,0,0,0|2,0,0]=4 7593 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [2,0,0,0,0,0|2,0,0]=4 7594 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [2,0,0,0,0,0|2,0,0]=4 7595 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [2,0,0,0,0,0|2,0,0]=4 7596 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [2,0,0,0,0,0|2,0,0]=4 7597 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [2,0,0,0,0,0|2,0,0]=4 7598 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [2,0,0,0,0,0|2,0,0]=4 7599 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [2,0,0,0,0,0|2,0,0]=4 7600 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [2,0,0,0,0,0|2,0,0]=4 7601 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [2,0,0,0,0,0|2,0,0]=4 7602 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [2,0,0,0,0,0|2,0,0]=4 7603 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [2,0,0,0,0,0|1,0,0]=3 7604 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [2,0,0,0,0,0|1,0,0]=3 7605 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [2,0,0,0,0,0|1,0,0]=3 7606 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [2,0,0,0,0,0|2,0,0]=4 7607 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [2,0,0,0,0,0|2,0,0]=4 7608 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [2,0,0,0,0,0|2,0,0]=4 7609 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [2,0,0,0,0,0|2,0,0]=4 7610 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [2,0,0,0,0,0|2,0,0]=4 7611 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [2,0,0,0,0,0|2,0,0]=4 7612 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [2,0,0,0,0,0|2,0,0]=4 7613 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [2,0,0,0,0,0|2,0,0]=4 7614 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [2,0,0,0,0,0|2,0,0]=4 7615 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [2,0,0,0,0,0|2,0,0]=4 7616 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [2,0,0,0,0,0|0,0,2]=4 7617 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [2,0,0,0,0,0|0,0,2]=4 7618 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [2,0,0,0,0,0|0,0,2]=4 7619 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [2,0,0,0,0,0|2,0,0]=4 7620 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [2,0,0,0,0,0|2,0,0]=4 7621 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [2,0,0,0,0,0|2,0,0]=4 7622 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [2,0,0,0,0,0|2,0,0]=4 7623 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [2,0,0,0,0,0|2,0,0]=4 7624 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [2,0,0,0,0,0|2,0,0]=4 7625 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [2,0,0,0,0,0|2,0,0]=4 7626 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [2,0,0,0,0,0|2,0,0]=4 7627 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [2,0,0,0,0,0|2,0,0]=4 7628 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [2,0,0,0,0,0|2,0,0]=4 7629 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [2,0,0,0,0,0|2,0,0]=4 7630 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [2,0,0,0,0,0|2,0,0]=4 7631 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [2,0,0,0,0,0|2,0,0]=4 7632 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [2,0,0,0,0,0|0,0,2]=4 7633 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [2,0,0,0,0,0|0,0,2]=4 7634 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [2,0,0,0,0,0|0,0,2]=4 7635 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [2,0,0,0,0,0|1,0,1]=4 7636 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|1,0,0]=3 7637 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|1,0,0]=3 7638 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|1,0,0]=3 7639 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [2,0,0,0,0,0|2,0,0]=4 7640 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [2,0,0,0,0,0|2,0,0]=4 7641 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [2,0,0,0,0,0|2,0,0]=4 7642 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [2,0,0,0,0,0|2,0,0]=4 7643 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [2,0,0,0,0,0|2,0,0]=4 7644 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [2,0,0,0,0,0|2,0,0]=4 7645 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [2,0,0,0,0,0|2,0,0]=4 7646 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [2,0,0,0,0,0|2,0,0]=4 7647 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [2,0,0,0,0,0|2,0,0]=4 7648 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [2,0,0,0,0,0|2,0,0]=4 7649 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [2,0,0,0,0,0|2,0,0]=4 7650 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [2,0,0,0,0,0|2,0,0]=4 7651 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [2,0,0,0,0,0|2,0,0]=4 7652 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [2,0,0,0,0,0|2,0,0]=4 7653 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [2,0,0,0,0,0|2,0,0]=4 7654 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [2,0,0,0,0,0|2,0,0]=4 7655 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [2,0,0,0,0,0|2,0,0]=4 7656 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [2,0,0,0,0,0|2,0,0]=4 7657 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [2,0,0,0,0,0|2,0,0]=4 7658 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [2,0,0,0,0,0|2,0,0]=4 7659 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [2,0,0,0,0,0|2,0,0]=4 7660 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [2,0,0,0,0,0|2,0,0]=4 7661 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [2,0,0,0,0,0|2,0,0]=4 7662 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [2,0,0,0,0,0|2,0,0]=4 7663 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [2,0,0,0,0,0|2,0,0]=4 7664 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 7665 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [2,0,0,0,0,0|2,0,0]=4 7666 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [2,0,0,0,0,0|2,0,0]=4 7667 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [2,0,0,0,0,0|2,0,0]=4 7668 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [2,0,0,0,0,0|2,0,0]=4 7669 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [2,0,0,0,0,0|2,0,0]=4 7670 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [2,0,0,0,0,0|2,0,0]=4 7671 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [2,0,0,0,0,0|2,0,0]=4 7672 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|0,0,2]=4 7673 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|0,0,2]=4 7674 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [2,0,0,0,0,0|0,0,2]=4 7675 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [2,0,0,0,0,0|0,0,2]=4 7676 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|0,0,2]=4 7677 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|0,0,2]=4 7678 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|0,0,0]=2 7679 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|0,0,0]=2 7680 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|0,0,0]=2 7681 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [2,0,0,0,0,0|2,0,0]=4 7682 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [2,0,0,0,0,0|2,0,0]=4 7683 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [2,0,0,0,0,0|2,0,0]=4 7684 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [2,0,0,0,0,0|2,0,0]=4 7685 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [2,0,0,0,0,0|2,0,0]=4 7686 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [2,0,0,0,0,0|2,0,0]=4 7687 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 7688 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 7689 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|1,0,0]=3 7690 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|1,0,0]=3 7691 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 7692 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 7693 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,0]=3 7694 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [2,0,0,0,0,0|2,0,0]=4 7695 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|1,0,0]=3 7696 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 7697 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 7698 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|1,0,1]=4 7699 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 7700 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 7701 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|1,0,1]=4 7702 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|1,0,1]=4 7703 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|1,0,0]=3 7704 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 7705 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 7706 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [2,0,0,0,0,0|2,0,0]=4 7707 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|1,0,0]=3 7708 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|1,0,0]=3 7709 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|1,0,0]=3 7710 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|1,0,0]=3 7711 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 7712 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 7713 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 7714 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 7715 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [2,0,0,0,0,0|2,0,0]=4 7716 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|1,0,0]=3 7717 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|1,0,0]=3 7718 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 7719 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 7720 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [2,0,0,0,0,0|2,0,0]=4 7721 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [2,0,0,0,0,0|2,0,0]=4 7722 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 7723 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [2,0,0,0,0,0|2,0,0]=4 7724 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [2,0,0,0,0,0|2,0,0]=4 7725 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|1,0,0]=3 7726 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|1,0,0]=3 7727 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|1,0,0]=3 7728 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 7729 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 7730 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [2,0,0,0,0,0|2,0,0]=4 7731 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [2,0,0,0,0,0|2,0,0]=4 7732 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [2,0,0,0,0,0|2,0,0]=4 7733 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [2,0,0,0,0,0|2,0,0]=4 7734 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|1,0,0]=3 7735 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|1,0,0]=3 7736 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 7737 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 7738 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 7739 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [2,0,0,0,0,0|2,0,0]=4 7740 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [2,0,0,0,0,0|2,0,0]=4 7741 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [2,0,0,0,0,0|2,0,0]=4 7742 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [2,0,0,0,0,0|2,0,0]=4 7743 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [2,0,0,0,0,0|2,0,0]=4 7744 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [2,0,0,0,0,0|2,0,0]=4 7745 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 7746 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [2,0,0,0,0,0|2,0,0]=4 7747 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [2,0,0,0,0,0|2,0,0]=4 7748 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|2,0,0]=4 7749 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|1,0,0]=3 7750 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 7751 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 7752 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 7753 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 7754 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [2,0,0,0,0,0|2,0,0]=4 7755 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [2,0,0,0,0,0|2,0,0]=4 7756 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [2,0,0,0,0,0|2,0,0]=4 7757 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [2,0,0,0,0,0|2,0,0]=4 7758 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [2,0,0,0,0,0|2,0,0]=4 7759 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [2,0,0,0,0,0|2,0,0]=4 7760 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [2,0,0,0,0,0|2,0,0]=4 7761 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [2,0,0,0,0,0|2,0,0]=4 7762 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [2,0,0,0,0,0|2,0,0]=4 7763 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|1,0,0]=3 7764 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|1,0,0]=3 7765 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [2,0,0,0,0,0|2,0,0]=4 7766 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [2,0,0,0,0,0|2,0,0]=4 7767 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [2,0,0,0,0,0|2,0,0]=4 7768 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [2,0,0,0,0,0|2,0,0]=4 7769 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [2,0,0,0,0,0|2,0,0]=4 7770 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [2,0,0,0,0,0|2,0,0]=4 7771 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 7772 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 7773 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 7774 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 7775 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [2,0,0,0,0,0|2,0,0]=4 7776 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [2,0,0,0,0,0|2,0,0]=4 7777 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [2,0,0,0,0,0|2,0,0]=4 7778 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [2,0,0,0,0,0|2,0,0]=4 7779 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [2,0,0,0,0,0|2,0,0]=4 7780 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [2,0,0,0,0,0|2,0,0]=4 7781 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|1,0,0]=3 7782 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 7783 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 7784 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 7785 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|1,0,0]=3 7786 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 7787 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [2,0,0,0,0,0|2,0,0]=4 7788 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [2,0,0,0,0,0|2,0,0]=4 7789 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [2,0,0,0,0,0|2,0,0]=4 7790 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [2,0,0,0,0,0|2,0,0]=4 7791 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|2,0,0]=4 7792 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [2,0,0,0,0,0|2,0,0]=4 7793 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [2,0,0,0,0,0|2,0,0]=4 7794 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [2,0,0,0,0,0|2,0,0]=4 7795 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [2,0,0,0,0,0|2,0,0]=4 7796 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [2,0,0,0,0,0|2,0,0]=4 7797 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [2,0,0,0,0,0|2,0,0]=4 7798 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [2,0,0,0,0,0|2,0,0]=4 7799 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [2,0,0,0,0,0|2,0,0]=4 7800 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [2,0,0,0,0,0|2,0,0]=4 7801 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [2,0,0,0,0,0|2,0,0]=4 7802 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 7803 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 7804 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [2,0,0,0,0,0|2,0,0]=4 7805 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [2,0,0,0,0,0|2,0,0]=4 7806 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [2,0,0,0,0,0|2,0,0]=4 7807 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [2,0,0,0,0,0|2,0,0]=4 7808 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [2,0,0,0,0,0|2,0,0]=4 7809 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [2,0,0,0,0,0|2,0,0]=4 7810 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [2,0,0,0,0,0|2,0,0]=4 7811 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [2,0,0,0,0,0|2,0,0]=4 7812 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [2,0,0,0,0,0|2,0,0]=4 7813 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [2,0,0,0,0,0|2,0,0]=4 7814 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [2,0,0,0,0,0|2,0,0]=4 7815 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [2,0,0,0,0,0|2,0,0]=4 7816 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [2,0,0,0,0,0|2,0,0]=4 7817 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|2,0,0]=4 7818 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|1,0,0]=3 7819 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 7820 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 7821 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 7822 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 7823 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 7824 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [1,1,0,0,0,0|1,0,1]=4 7825 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [1,1,0,0,0,0|2,0,0]=4 7826 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [1,1,0,0,0,0|2,0,0]=4 7827 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [1,1,0,0,0,0|2,0,0]=4 7828 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [1,1,0,0,0,0|2,0,0]=4 7829 B11R0.2 CC(C)OC(=O)CCNCCO 2230a_100016997473_100000760027 [1,1,0,0,0,0|2,0,0]=4 7830 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100000760027_100011217306 [1,1,0,0,0,0|2,0,0]=4 7831 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100011217306_100000760027 [1,1,0,0,0,0|2,0,0]=4 7832 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000211926_100000760027 [1,1,0,0,0,0|2,0,0]=4 7833 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000760027_100000211926 [1,1,0,0,0,0|2,0,0]=4 7834 B11R0.2 CC(C)OC(=O)CNCCCF 2230a_100015189416_100011215430 [1,1,0,0,0,0|2,0,0]=4 7835 B11R0.2 CC(C)OC(=O)CNCCCF 34a_100015189416_100011215430 [1,1,0,0,0,0|2,0,0]=4 7836 B11R0.2 CC(C)OC(=O)COCCCBr 34a_100011217188_100011215430 [1,1,0,0,0,0|2,0,0]=4 7837 B11R0.2 CC(C)OC(=O)COCCCCl 34a_100000230001_100011215430 [1,1,0,0,0,0|2,0,0]=4 7838 B11R0.2 CC(C)OC(=O)COCCCF 34a_100000759539_100011215430 [1,1,0,0,0,0|2,0,0]=4 7839 B11R0.2 CC(C)OC(=O)COCCCN 34a_100000182051_100011215430 [1,1,0,0,0,0|2,0,0]=4 7840 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011215430_100011934791 [1,1,0,0,0,0|2,0,0]=4 7841 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011934791_100011215430 [1,1,0,0,0,0|2,0,0]=4 7842 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215043_100011215430 [1,1,0,0,0,0|2,0,0]=4 7843 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215430_100011215043 [1,1,0,0,0,0|2,0,0]=4 7844 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [1,1,0,0,0,0|2,0,0]=4 7845 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [1,1,0,0,0,0|1,0,1]=4 7846 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [1,1,0,0,0,0|1,0,1]=4 7847 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [1,1,0,0,0,0|1,0,1]=4 7848 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [1,1,0,0,0,0|1,0,0]=3 7849 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [1,1,0,0,0,0|1,0,0]=3 7850 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [1,1,0,0,0,0|1,0,0]=3 7851 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [1,1,0,0,0,0|2,0,0]=4 7852 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [1,1,0,0,0,0|2,0,0]=4 7853 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [1,1,0,0,0,0|1,0,0]=3 7854 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [1,1,0,0,0,0|2,0,0]=4 7855 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [1,1,0,0,0,0|1,0,0]=3 7856 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [1,1,0,0,0,0|1,0,0]=3 7857 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [1,1,0,0,0,0|1,0,0]=3 7858 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [1,1,0,0,0,0|1,0,0]=3 7859 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [1,1,0,0,0,0|1,0,1]=4 7860 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [1,1,0,0,0,0|1,0,1]=4 7861 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [1,1,0,0,0,0|1,0,1]=4 7862 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [1,1,0,0,0,0|2,0,0]=4 7863 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [1,1,0,0,0,0|2,0,0]=4 7864 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [1,1,0,0,0,0|2,0,0]=4 7865 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [1,1,0,0,0,0|2,0,0]=4 7866 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [1,1,0,0,0,0|2,0,0]=4 7867 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [1,1,0,0,0,0|2,0,0]=4 7868 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [1,1,0,0,0,0|2,0,0]=4 7869 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [1,1,0,0,0,0|2,0,0]=4 7870 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [1,1,0,0,0,0|2,0,0]=4 7871 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [1,1,0,0,0,0|2,0,0]=4 7872 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000102301_100000183996 [1,1,0,0,0,0|2,0,0]=4 7873 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000168517_100000210211 [1,1,0,0,0,0|2,0,0]=4 7874 B11R0.2 CCCCNCC(=O)NC(C)C 7a_106832991798_100000183996 [1,1,0,0,0,0|2,0,0]=4 7875 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [1,1,0,0,0,0|1,0,0]=3 7876 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [1,1,0,0,0,0|1,0,0]=3 7877 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [1,1,0,0,0,0|2,0,0]=4 7878 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [1,1,0,0,0,0|2,0,0]=4 7879 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [1,1,0,0,0,0|2,0,0]=4 7880 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [1,1,0,0,0,0|2,0,0]=4 7881 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [1,1,0,0,0,0|2,0,0]=4 7882 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [1,1,0,0,0,0|2,0,0]=4 7883 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [1,1,0,0,0,0|2,0,0]=4 7884 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [1,1,0,0,0,0|2,0,0]=4 7885 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [1,1,0,0,0,0|2,0,0]=4 7886 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [1,1,0,0,0,0|2,0,0]=4 7887 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [1,1,0,0,0,0|1,0,0]=3 7888 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [1,1,0,0,0,0|1,0,0]=3 7889 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [1,1,0,0,0,0|2,0,0]=4 7890 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [1,1,0,0,0,0|2,0,0]=4 7891 B11R0.2 CCCCSCC(=O)NC(C)C 11a_100138425928_100000191162 [1,1,0,0,0,0|2,0,0]=4 7892 B11R0.2 CCCCSCC(=O)NC(C)C 1626a_100138425928_100000191162 [1,1,0,0,0,0|2,0,0]=4 7893 B11R0.2 CCCCSCC(=O)NC(C)C 240690a_100138425928_100000191162 [1,1,0,0,0,0|2,0,0]=4 7894 B11R0.2 CCCCSCC(=O)NC(C)C 527a_100138425928_100000191162 [1,1,0,0,0,0|2,0,0]=4 7895 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000183996_100000210210 [1,1,0,0,0,0|2,0,0]=4 7896 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000210211_100000183996 [1,1,0,0,0,0|2,0,0]=4 7897 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [1,1,0,0,0,0|1,0,0]=3 7898 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [1,1,0,0,0,0|1,0,0]=3 7899 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [1,1,0,0,0,0|2,0,0]=4 7900 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [1,1,0,0,0,0|2,0,0]=4 7901 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000210303_100000737564 [1,1,0,0,0,0|2,0,0]=4 7902 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000737564_100000210303 [1,1,0,0,0,0|2,0,0]=4 7903 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [1,1,0,0,0,0|1,0,0]=3 7904 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [1,1,0,0,0,0|1,0,0]=3 7905 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [1,1,0,0,0,0|2,0,0]=4 7906 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [1,1,0,0,0,0|2,0,0]=4 7907 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [1,1,0,0,0,0|2,0,0]=4 7908 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [1,1,0,0,0,0|2,0,0]=4 7909 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100000739092_100011215430 [1,1,0,0,0,0|2,0,0]=4 7910 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100011215430_100000739092 [1,1,0,0,0,0|2,0,0]=4 7911 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [1,1,0,0,0,0|2,0,0]=4 7912 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [1,1,0,0,0,0|2,0,0]=4 7913 B11R0.2 COCCNCC(=O)OC(C)C 2230a_100000209980_100011215430 [1,1,0,0,0,0|2,0,0]=4 7914 B11R0.2 COCCOCC(=O)OC(C)C 34a_100000210237_100011215430 [1,1,0,0,0,0|2,0,0]=4 7915 B11R0.2 COCCSCC(=O)OC(C)C 62a_100000233755_100011215430 [1,1,0,0,0,0|2,0,0]=4 7916 B11R0.2 COCCSCC(=O)OC(C)C 62a_100011215430_100000233755 [1,1,0,0,0,0|2,0,0]=4 7917 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000760027_100000766300 [1,1,0,0,0,0|2,0,0]=4 7918 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000766300_100000760027 [1,1,0,0,0,0|2,0,0]=4 7919 B11R0.2 CSCCNCC(=O)OC(C)C 2230a_100020590264_100011215430 [1,1,0,0,0,0|2,0,0]=4 7920 B11R0.2 CSCCOCC(=O)OC(C)C 34a_100000230434_100011215430 [1,1,0,0,0,0|2,0,0]=4 7921 B11R0.2 CSCCOCC(=O)OC(C)C 7a_100000230434_100011215430 [1,1,0,0,0,0|2,0,0]=4 7922 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100000212216_100011215430 [1,1,0,0,0,0|2,0,0]=4 7923 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100011215430_100000751147 [1,1,0,0,0,0|2,0,0]=4 7924 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100000760027_100011218213 [1,1,0,0,0,0|2,0,0]=4 7925 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100011218213_100000760027 [1,1,0,0,0,0|2,0,0]=4 7926 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [1,1,0,0,0,0|2,0,0]=4 7927 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [1,1,0,0,0,0|2,0,0]=4 7928 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [1,1,0,0,0,0|1,0,1]=4 7929 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [1,1,0,0,0,0|1,0,1]=4 7930 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [1,1,0,0,0,0|0,0,1]=3 7931 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [1,1,0,0,0,0|0,0,1]=3 7932 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [1,1,0,0,0,0|2,0,0]=4 7933 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [1,1,0,0,0,0|2,0,0]=4 7934 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [1,1,0,0,0,0|2,0,0]=4 7935 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [1,1,0,0,0,0|2,0,0]=4 7936 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [1,1,0,0,0,0|2,0,0]=4 7937 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [1,1,0,0,0,0|2,0,0]=4 7938 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [1,1,0,0,0,0|2,0,0]=4 7939 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [1,1,0,0,0,0|2,0,0]=4 7940 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [1,1,0,0,0,0|2,0,0]=4 7941 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [1,1,0,0,0,0|2,0,0]=4 7942 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [1,1,0,0,0,0|2,0,0]=4 7943 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [1,1,0,0,0,0|2,0,0]=4 7944 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [1,1,0,0,0,0|2,0,0]=4 7945 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [1,1,0,0,0,0|2,0,0]=4 7946 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [1,1,0,0,0,0|2,0,0]=4 7947 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [1,1,0,0,0,0|2,0,0]=4 7948 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [1,1,0,0,0,0|1,0,0]=3 7949 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [1,1,0,0,0,0|1,0,0]=3 7950 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [1,1,0,0,0,0|1,0,0]=3 7951 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [1,1,0,0,0,0|1,0,1]=4 7952 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [1,1,0,0,0,0|1,0,0]=3 7953 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [1,1,0,0,0,0|1,0,0]=3 7954 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [1,1,0,0,0,0|1,0,0]=3 7955 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [1,1,0,0,0,0|2,0,0]=4 7956 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [1,1,0,0,0,0|2,0,0]=4 7957 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [1,1,0,0,0,0|1,0,1]=4 7958 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [1,1,0,0,0,0|1,0,1]=4 7959 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [1,1,0,0,0,0|1,0,1]=4 7960 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [1,1,0,0,0,0|1,0,1]=4 7961 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [1,1,0,0,0,0|1,0,1]=4 7962 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [1,1,0,0,0,0|1,0,1]=4 7963 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [1,1,0,0,0,0|1,0,1]=4 7964 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [1,1,0,0,0,0|1,0,1]=4 7965 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [1,1,0,0,0,0|1,0,1]=4 7966 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [1,1,0,0,0,0|2,0,0]=4 7967 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [1,1,0,0,0,0|2,0,0]=4 7968 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [1,1,0,0,0,0|2,0,0]=4 7969 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [1,1,0,0,0,0|2,0,0]=4 7970 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [1,1,0,0,0,0|2,0,0]=4 7971 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [1,1,0,0,0,0|2,0,0]=4 7972 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [1,1,0,0,0,0|2,0,0]=4 7973 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [1,1,0,0,0,0|2,0,0]=4 7974 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [1,1,0,0,0,0|2,0,0]=4 7975 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [1,1,0,0,0,0|2,0,0]=4 7976 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [1,1,0,0,0,0|2,0,0]=4 7977 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [1,1,0,0,0,0|2,0,0]=4 7978 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [1,1,0,0,0,0|2,0,0]=4 7979 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [1,1,0,0,0,0|2,0,0]=4 7980 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [1,1,0,0,0,0|2,0,0]=4 7981 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [1,1,0,0,0,0|2,0,0]=4 7982 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [1,1,0,0,0,0|2,0,0]=4 7983 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [1,1,0,0,0,0|2,0,0]=4 7984 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [1,1,0,0,0,0|2,0,0]=4 7985 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [1,1,0,0,0,0|2,0,0]=4 7986 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [1,1,0,0,0,0|2,0,0]=4 7987 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [1,1,0,0,0,0|1,0,0]=3 7988 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [1,1,0,0,0,0|1,0,0]=3 7989 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [1,1,0,0,0,0|2,0,0]=4 7990 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [1,1,0,0,0,0|2,0,0]=4 7991 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [1,1,0,0,0,0|1,0,1]=4 7992 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [1,1,0,0,0,0|1,0,0]=3 7993 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [1,1,0,0,0,0|1,0,1]=4 7994 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [1,1,0,0,0,0|0,0,1]=3 7995 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [1,1,0,0,0,0|1,0,1]=4 7996 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [1,1,0,0,0,0|2,0,0]=4 7997 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [1,1,0,0,0,0|2,0,0]=4 7998 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [1,1,0,0,0,0|2,0,0]=4 7999 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [1,1,0,0,0,0|2,0,0]=4 8000 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [1,1,0,0,0,0|1,0,1]=4 8001 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [1,1,0,0,0,0|2,0,0]=4 8002 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [1,1,0,0,0,0|2,0,0]=4 8003 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [1,1,0,0,0,0|2,0,0]=4 8004 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [1,1,0,0,0,0|1,0,0]=3 8005 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [1,1,0,0,0,0|2,0,0]=4 8006 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [1,1,0,0,0,0|2,0,0]=4 8007 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [1,1,0,0,0,0|1,0,0]=3 8008 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [1,1,0,0,0,0|1,0,0]=3 8009 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [1,1,0,0,0,0|2,0,0]=4 8010 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [1,1,0,0,0,0|2,0,0]=4 8011 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [1,1,0,0,0,0|1,0,0]=3 8012 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [1,1,0,0,0,0|1,0,0]=3 8013 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [1,1,0,0,0,0|2,0,0]=4 8014 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [1,1,0,0,0,0|2,0,0]=4 8015 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [1,1,0,0,0,0|1,0,0]=3 8016 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [1,1,0,0,0,0|1,0,0]=3 8017 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [1,1,0,0,0,0|1,0,0]=3 8018 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [1,1,0,0,0,0|1,0,0]=3 8019 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [1,1,0,0,0,0|1,0,1]=4 8020 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [1,1,0,0,0,0|1,0,1]=4 8021 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [1,1,0,0,0,0|1,0,0]=3 8022 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [1,1,0,0,0,0|1,0,1]=4 8023 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [1,1,0,0,0,0|1,0,1]=4 8024 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [1,1,0,0,0,0|1,0,0]=3 8025 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [1,1,0,0,0,0|1,0,0]=3 8026 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [1,1,0,0,0,0|1,0,0]=3 8027 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [1,1,0,0,0,0|2,0,0]=4 8028 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [1,1,0,0,0,0|2,0,0]=4 8029 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [1,1,0,0,0,0|2,0,0]=4 8030 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [1,1,0,0,0,0|2,0,0]=4 8031 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [1,1,0,0,0,0|2,0,0]=4 8032 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [1,1,0,0,0,0|2,0,0]=4 8033 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [1,1,0,0,0,0|2,0,0]=4 8034 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [1,1,0,0,0,0|2,0,0]=4 8035 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [1,1,0,0,0,0|2,0,0]=4 8036 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [1,1,0,0,0,0|2,0,0]=4 8037 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [1,1,0,0,0,0|2,0,0]=4 8038 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [1,1,0,0,0,0|2,0,0]=4 8039 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [1,1,0,0,0,0|2,0,0]=4 8040 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [1,1,0,0,0,0|2,0,0]=4 8041 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [1,1,0,0,0,0|2,0,0]=4 8042 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [1,1,0,0,0,0|2,0,0]=4 8043 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [1,1,0,0,0,0|2,0,0]=4 8044 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [1,1,0,0,0,0|2,0,0]=4 8045 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [1,1,0,0,0,0|2,0,0]=4 8046 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [1,1,0,0,0,0|2,0,0]=4 8047 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [1,1,0,0,0,0|2,0,0]=4 8048 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [1,1,0,0,0,0|1,0,1]=4 8049 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [1,1,0,0,0,0|1,0,1]=4 8050 B11R0.81 C#CCCCCC(=O)COCC 1458a_100000211967_100010269958 [1,1,0,0,0,0|0,0,2]=4 8051 B11R0.81 C#CCNC(=O)CCCCCC 11a_100000212058_100102632555 [1,1,0,0,0,0|1,0,1]=4 8052 B11R0.81 C#CCNC(=O)CCCCCC 1626a_100000212058_100102632555 [1,1,0,0,0,0|1,0,1]=4 8053 B11R0.81 C#CCNC(=O)CCCCCC 240690a_100000212058_100102632555 [1,1,0,0,0,0|1,0,1]=4 8054 B11R0.81 C#CCNC(=O)CCCCCC 527a_100000212058_100102632555 [1,1,0,0,0,0|1,0,1]=4 8055 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [1,1,0,0,0,0|1,0,1]=4 8056 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [1,1,0,0,0,0|2,0,0]=4 8057 B11R0.81 C=C(CSCCCC)OCOC 62a_100000042856_100000210210 [1,1,0,0,0,0|2,0,0]=4 8058 B11R0.81 C=C(CSCCCC)OCOC 62a_100000210211_100000042856 [1,1,0,0,0,0|2,0,0]=4 8059 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [1,1,0,0,0,0|1,0,1]=4 8060 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [1,1,0,0,0,0|1,0,1]=4 8061 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [1,1,0,0,0,0|0,0,2]=4 8062 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 8063 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 8064 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [1,1,0,0,0,0|1,0,1]=4 8065 B11R0.81 C=CCOC(=O)CNCCCC 2230a_100000102301_100000033060 [1,1,0,0,0,0|1,0,1]=4 8066 B11R0.81 C=CCOC(=O)CNCCCC 7a_106832991798_100000033060 [1,1,0,0,0,0|1,0,1]=4 8067 B11R0.81 C=CCOC(=O)COCCCC 34a_100000210227_100000033060 [1,1,0,0,0,0|1,0,1]=4 8068 B11R0.81 C=CCOC(=O)COCCCC 7a_100000210227_100000033060 [1,1,0,0,0,0|1,0,1]=4 8069 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000033060_100000210210 [1,1,0,0,0,0|1,0,1]=4 8070 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000210211_100000033060 [1,1,0,0,0,0|1,0,1]=4 8071 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [1,1,0,0,0,0|1,0,1]=4 8072 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [1,1,0,0,0,0|0,0,2]=4 8073 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [1,1,0,0,0,0|1,0,1]=4 8074 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [1,1,0,0,0,0|1,0,1]=4 8075 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [1,1,0,0,0,0|1,0,1]=4 8076 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [1,1,0,0,0,0|1,0,0]=3 8077 B11R0.81 CCC#CC(=O)CCCCCF 1458a_100011827653_100000729378 [1,1,0,0,0,0|2,0,0]=4 8078 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [1,1,0,0,0,0|2,0,0]=4 8079 B11R0.81 CCC#CC(=O)CCCCOC 1458a_100011827653_100000755781 [1,1,0,0,0,0|2,0,0]=4 8080 B11R0.81 CCC#CC(=O)CCCOCC 1458a_100011827653_100012232248 [1,1,0,0,0,0|2,0,0]=4 8081 B11R0.81 CCC#CC(=O)CCOCCC 1458a_100011827653_100011215938 [1,1,0,0,0,0|2,0,0]=4 8082 B11R0.81 CCC#CC(=O)COCCCC 1458a_100011827653_100011995733 [1,1,0,0,0,0|2,0,0]=4 8083 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [1,1,0,0,0,0|1,0,0]=3 8084 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [1,1,0,0,0,0|2,0,0]=4 8085 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [1,1,0,0,0,0|2,0,0]=4 8086 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [1,1,0,0,0,0|2,0,0]=4 8087 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [1,1,0,0,0,0|2,0,0]=4 8088 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [1,1,0,0,0,0|2,0,0]=4 8089 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [1,1,0,0,0,0|2,0,0]=4 8090 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 8091 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 8092 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [1,1,0,0,0,0|2,0,0]=4 8093 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [1,1,0,0,0,0|2,0,0]=4 8094 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [1,1,0,0,0,0|2,0,0]=4 8095 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [1,1,0,0,0,0|2,0,0]=4 8096 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [1,1,0,0,0,0|2,0,0]=4 8097 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [1,1,0,0,0,0|2,0,0]=4 8098 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [1,1,0,0,0,0|2,0,0]=4 8099 B11R0.81 CCCCCCC(=NNCC)C 4a_100000756455_100000210826 [1,1,0,0,0,0|2,0,0]=4 8100 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [1,1,0,0,0,0|1,0,1]=4 8101 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [1,1,0,0,0,0|1,0,1]=4 8102 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [1,1,0,0,0,0|1,0,1]=4 8103 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [1,1,0,0,0,0|1,0,1]=4 8104 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [1,1,0,0,0,0|1,0,0]=3 8105 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [1,1,0,0,0,0|1,0,0]=3 8106 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [1,1,0,0,0,0|1,0,0]=3 8107 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [1,1,0,0,0,0|1,0,0]=3 8108 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [1,1,0,0,0,0|1,0,0]=3 8109 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [1,1,0,0,0,0|1,0,0]=3 8110 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [1,1,0,0,0,0|1,0,0]=3 8111 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [1,1,0,0,0,0|1,0,0]=3 8112 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [1,1,0,0,0,0|0,0,0]=2 8113 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [1,1,0,0,0,0|0,1,0]=3 8114 B11R0.81 CCCCCCC(=O)NCC#N 1626a_100000734998_100102632555 [1,1,0,0,0,0|1,0,1]=4 8115 B11R0.81 CCCCCCC(=O)NCC#N 527a_100000734998_100102632555 [1,1,0,0,0,0|1,0,1]=4 8116 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [1,1,0,0,0,0|1,0,0]=3 8117 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [1,1,0,0,0,0|1,0,0]=3 8118 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [1,1,0,0,0,0|1,0,0]=3 8119 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [1,1,0,0,0,0|1,0,0]=3 8120 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [1,1,0,0,0,0|1,0,0]=3 8121 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [1,1,0,0,0,0|1,0,0]=3 8122 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [1,1,0,0,0,0|1,0,0]=3 8123 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [1,1,0,0,0,0|1,0,0]=3 8124 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [1,1,0,0,0,0|1,0,0]=3 8125 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [1,1,0,0,0,0|1,0,0]=3 8126 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [1,1,0,0,0,0|1,0,0]=3 8127 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [1,1,0,0,0,0|1,0,1]=4 8128 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [1,1,0,0,0,0|1,0,1]=4 8129 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [1,1,0,0,0,0|1,0,1]=4 8130 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [1,1,0,0,0,0|1,0,1]=4 8131 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [1,1,0,0,0,0|1,0,1]=4 8132 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [1,1,0,0,0,0|1,0,1]=4 8133 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [1,1,0,0,0,0|1,0,1]=4 8134 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 8135 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [1,1,0,0,0,0|1,0,1]=4 8136 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [1,1,0,0,0,0|1,0,1]=4 8137 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [1,1,0,0,0,0|2,0,0]=4 8138 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 8139 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 8140 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 8141 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [1,1,0,0,0,0|2,0,0]=4 8142 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 8143 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 8144 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 8145 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [1,1,0,0,0,0|2,0,0]=4 8146 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 8147 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 8148 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 8149 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [1,1,0,0,0,0|2,0,0]=4 8150 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [1,1,0,0,0,0|2,0,0]=4 8151 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [1,1,0,0,0,0|1,0,0]=3 8152 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [1,1,0,0,0,0|1,0,0]=3 8153 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [1,1,0,0,0,0|1,0,0]=3 8154 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [1,1,0,0,0,0|1,0,0]=3 8155 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [1,1,0,0,0,0|1,0,0]=3 8156 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [1,1,0,0,0,0|1,1,0]=4 8157 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [1,1,0,0,0,0|1,1,0]=4 8158 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [1,1,0,0,0,0|1,1,0]=4 8159 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [1,1,0,0,0,0|1,1,0]=4 8160 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [1,1,0,0,0,0|1,1,0]=4 8161 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [1,1,0,0,0,0|1,1,0]=4 8162 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [1,1,0,0,0,0|2,0,0]=4 8163 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [1,1,0,0,0,0|2,0,0]=4 8164 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [1,1,0,0,0,0|2,0,0]=4 8165 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [1,1,0,0,0,0|2,0,0]=4 8166 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [1,1,0,0,0,0|2,0,0]=4 8167 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [1,1,0,0,0,0|2,0,0]=4 8168 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [1,1,0,0,0,0|2,0,0]=4 8169 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [1,1,0,0,0,0|2,0,0]=4 8170 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [1,1,0,0,0,0|2,0,0]=4 8171 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [1,1,0,0,0,0|2,0,0]=4 8172 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [1,1,0,0,0,0|2,0,0]=4 8173 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [1,1,0,0,0,0|2,0,0]=4 8174 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [1,1,0,0,0,0|2,0,0]=4 8175 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [1,1,0,0,0,0|2,0,0]=4 8176 B11R0.81 CCCCCNC(=O)NNCC 273464a_100000209983_100000756455 [1,1,0,0,0,0|2,0,0]=4 8177 B11R0.81 CCCCCNC(=O)NNCC 512a_100000209983_100000756455 [1,1,0,0,0,0|2,0,0]=4 8178 B11R0.81 CCCCCNC(=O)NNCC 512a_100000756455_100000209983 [1,1,0,0,0,0|2,0,0]=4 8179 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [1,1,0,0,0,0|2,0,0]=4 8180 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [1,1,0,0,0,0|2,0,0]=4 8181 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [1,1,0,0,0,0|2,0,0]=4 8182 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [1,1,0,0,0,0|2,0,0]=4 8183 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [1,1,0,0,0,0|1,0,0]=3 8184 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [1,1,0,0,0,0|1,0,0]=3 8185 B11R0.81 CCCCNNC(=O)COCC 22a_100025702795_100000211967 [1,1,0,0,0,0|2,0,0]=4 8186 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [1,1,0,0,0,0|2,0,0]=4 8187 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [1,1,0,0,0,0|2,0,0]=4 8188 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [1,1,0,0,0,0|2,0,0]=4 8189 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [1,1,0,0,0,0|2,0,0]=4 8190 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [1,1,0,0,0,0|2,0,0]=4 8191 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [1,1,0,0,0,0|2,0,0]=4 8192 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [1,1,0,0,0,0|2,0,0]=4 8193 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [1,1,0,0,0,0|2,0,0]=4 8194 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [1,1,0,0,0,0|1,0,0]=3 8195 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [1,1,0,0,0,0|1,1,0]=4 8196 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [1,1,0,0,0,0|2,0,0]=4 8197 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [1,1,0,0,0,0|2,0,0]=4 8198 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [1,1,0,0,0,0|2,0,0]=4 8199 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [1,1,0,0,0,0|2,0,0]=4 8200 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [1,1,0,0,0,0|2,0,0]=4 8201 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [1,1,0,0,0,0|2,0,0]=4 8202 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [1,1,0,0,0,0|2,0,0]=4 8203 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [1,1,0,0,0,0|2,0,0]=4 8204 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [1,1,0,0,0,0|2,0,0]=4 8205 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [1,1,0,0,0,0|2,0,0]=4 8206 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [1,1,0,0,0,0|2,0,0]=4 8207 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [1,1,0,0,0,0|2,0,0]=4 8208 B11R0.81 CCCCOCC(=O)NNCC 22a_100000756455_100000757543 [1,1,0,0,0,0|2,0,0]=4 8209 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [1,1,0,0,0,0|1,0,0]=3 8210 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [1,1,0,0,0,0|1,0,0]=3 8211 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [1,1,0,0,0,0|2,0,0]=4 8212 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [1,1,0,0,0,0|2,0,0]=4 8213 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [1,1,0,0,0,0|2,0,0]=4 8214 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [1,1,0,0,0,0|2,0,0]=4 8215 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [1,1,0,0,0,0|2,0,0]=4 8216 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [1,1,0,0,0,0|2,0,0]=4 8217 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [1,1,0,0,0,0|2,0,0]=4 8218 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [1,1,0,0,0,0|2,0,0]=4 8219 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [1,1,0,0,0,0|2,0,0]=4 8220 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [1,1,0,0,0,0|2,0,0]=4 8221 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [1,1,0,0,0,0|2,0,0]=4 8222 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [1,1,0,0,0,0|2,0,0]=4 8223 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [1,1,0,0,0,0|2,0,0]=4 8224 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [1,1,0,0,0,0|2,0,0]=4 8225 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [1,1,0,0,0,0|2,0,0]=4 8226 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [1,1,0,0,0,0|2,0,0]=4 8227 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [1,1,0,0,0,0|2,0,0]=4 8228 B11R0.81 CCCCSCC(=O)NNCC 22a_100000756455_100000191162 [1,1,0,0,0,0|2,0,0]=4 8229 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [1,1,0,0,0,0|1,0,0]=3 8230 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [1,1,0,0,0,0|1,0,0]=3 8231 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [1,1,0,0,0,0|2,0,0]=4 8232 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [1,1,0,0,0,0|2,0,0]=4 8233 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [1,1,0,0,0,0|2,0,0]=4 8234 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [1,1,0,0,0,0|2,0,0]=4 8235 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [1,1,0,0,0,0|2,0,0]=4 8236 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [1,1,0,0,0,0|2,0,0]=4 8237 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [1,1,0,0,0,0|2,0,0]=4 8238 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [1,1,0,0,0,0|2,0,0]=4 8239 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [1,1,0,0,0,0|2,0,0]=4 8240 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [1,1,0,0,0,0|2,0,0]=4 8241 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [1,1,0,0,0,0|2,0,0]=4 8242 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [1,1,0,0,0,0|2,0,0]=4 8243 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [1,1,0,0,0,0|2,0,0]=4 8244 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [1,1,0,0,0,0|2,0,0]=4 8245 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [1,1,0,0,0,0|2,0,0]=4 8246 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [1,1,0,0,0,0|2,0,0]=4 8247 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [1,1,0,0,0,0|2,0,0]=4 8248 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [1,1,0,0,0,0|2,0,0]=4 8249 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [1,1,0,0,0,0|2,0,0]=4 8250 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [1,1,0,0,0,0|2,0,0]=4 8251 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [1,1,0,0,0,0|2,0,0]=4 8252 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [1,1,0,0,0,0|2,0,0]=4 8253 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [1,1,0,0,0,0|2,0,0]=4 8254 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [1,1,0,0,0,0|2,0,0]=4 8255 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [1,1,0,0,0,0|2,0,0]=4 8256 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [1,1,0,0,0,0|2,0,0]=4 8257 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [1,1,0,0,0,0|2,0,0]=4 8258 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [1,1,0,0,0,0|2,0,0]=4 8259 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [1,1,0,0,0,0|1,0,0]=3 8260 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [1,1,0,0,0,0|1,1,0]=4 8261 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [1,1,0,0,0,0|2,0,0]=4 8262 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [1,1,0,0,0,0|2,0,0]=4 8263 B11R0.81 CCOCC(=O)CCCCC#N 1458a_100000211967_100000211819 [1,1,0,0,0,0|1,0,1]=4 8264 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [1,1,0,0,0,0|1,0,0]=3 8265 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [1,1,0,0,0,0|1,0,0]=3 8266 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [1,1,0,0,0,0|1,0,0]=3 8267 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [1,1,0,0,0,0|2,0,0]=4 8268 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [1,1,0,0,0,0|2,0,0]=4 8269 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [1,1,0,0,0,0|2,0,0]=4 8270 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [1,1,0,0,0,0|2,0,0]=4 8271 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [1,1,0,0,0,0|2,0,0]=4 8272 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [1,1,0,0,0,0|2,0,0]=4 8273 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [1,1,0,0,0,0|2,0,0]=4 8274 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [1,1,0,0,0,0|2,0,0]=4 8275 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [1,1,0,0,0,0|2,0,0]=4 8276 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [1,1,0,0,0,0|2,0,0]=4 8277 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [1,1,0,0,0,0|2,0,0]=4 8278 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 8279 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 8280 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 8281 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [1,1,0,0,0,0|2,0,0]=4 8282 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [1,1,0,0,0,0|2,0,0]=4 8283 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [1,1,0,0,0,0|2,0,0]=4 8284 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [1,1,0,0,0,0|1,0,0]=3 8285 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [1,1,0,0,0,0|1,1,0]=4 8286 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 8287 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [1,1,0,0,0,0|2,0,0]=4 8288 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 8289 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [1,1,0,0,0,0|2,0,0]=4 8290 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [1,1,0,0,0,0|2,0,0]=4 8291 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [1,1,0,0,0,0|1,1,0]=4 8292 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [1,1,0,0,0,0|1,1,0]=4 8293 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [1,1,0,0,0,0|1,1,0]=4 8294 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [1,1,0,0,0,0|2,0,0]=4 8295 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [1,1,0,0,0,0|2,0,0]=4 8296 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [1,1,0,0,0,0|2,0,0]=4 8297 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [1,1,0,0,0,0|2,0,0]=4 8298 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [1,1,0,0,0,0|2,0,0]=4 8299 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [1,1,0,0,0,0|2,0,0]=4 8300 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [1,1,0,0,0,0|2,0,0]=4 8301 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [1,1,0,0,0,0|2,0,0]=4 8302 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [1,1,0,0,0,0|2,0,0]=4 8303 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [1,1,0,0,0,0|2,0,0]=4 8304 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [1,1,0,0,0,0|2,0,0]=4 8305 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [1,1,0,0,0,0|2,0,0]=4 8306 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [1,1,0,0,0,0|1,0,1]=4 8307 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [1,1,0,0,0,0|2,0,0]=4 8308 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [1,1,0,0,0,0|2,0,0]=4 8309 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [1,1,0,0,0,0|2,0,0]=4 8310 B11R0.142 CCC(C)C(=O)CCCCOC 1458a_100011192722_100000755781 [1,1,0,0,0,0|2,0,0]=4 8311 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [1,1,0,0,0,0|2,0,0]=4 8312 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [1,1,0,0,0,0|2,0,0]=4 8313 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [1,1,0,0,0,0|2,0,0]=4 8314 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [1,1,0,0,0,0|2,0,0]=4 8315 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [1,1,0,0,0,0|1,0,0]=3 8316 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [1,1,0,0,0,0|1,0,0]=3 8317 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [1,1,0,0,0,0|2,0,0]=4 8318 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [1,1,0,0,0,0|2,0,0]=4 8319 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [1,1,0,0,0,0|1,0,0]=3 8320 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [1,1,0,0,0,0|2,0,0]=4 8321 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [1,1,0,0,0,0|1,0,0]=3 8322 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [1,1,0,0,0,0|1,0,0]=3 8323 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [1,1,0,0,0,0|1,0,0]=3 8324 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [1,1,0,0,0,0|1,0,0]=3 8325 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [1,1,0,0,0,0|2,0,0]=4 8326 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [1,1,0,0,0,0|2,0,0]=4 8327 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [1,1,0,0,0,0|2,0,0]=4 8328 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [1,1,0,0,0,0|2,0,0]=4 8329 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [1,1,0,0,0,0|2,0,0]=4 8330 B11R0.142 CCCCCNC(=O)N(C)CC 2708a_100000209983_100000225621 [1,1,0,0,0,0|2,0,0]=4 8331 B11R0.142 CCCCCNC(=O)N(C)CC 273464a_100000209983_100000225621 [1,1,0,0,0,0|2,0,0]=4 8332 B11R0.142 CCCCNCC(=O)N(C)CC 2230a_100000102301_100000738999 [1,1,0,0,0,0|2,0,0]=4 8333 B11R0.142 CCCCNCC(=O)N(C)CC 7a_106832991798_100000738999 [1,1,0,0,0,0|2,0,0]=4 8334 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [1,1,0,0,0,0|2,0,0]=4 8335 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [1,1,0,0,0,0|2,0,0]=4 8336 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [1,1,0,0,0,0|2,0,0]=4 8337 B11R0.142 CCCCOCC(=O)N(C)CC 11a_100000225621_100000757543 [1,1,0,0,0,0|2,0,0]=4 8338 B11R0.142 CCCCOCC(=O)N(C)CC 1626a_100000225621_100000757543 [1,1,0,0,0,0|2,0,0]=4 8339 B11R0.142 CCCCOCC(=O)N(C)CC 240690a_100000225621_100000757543 [1,1,0,0,0,0|2,0,0]=4 8340 B11R0.142 CCCCOCC(=O)N(C)CC 34a_100000210227_100000738999 [1,1,0,0,0,0|2,0,0]=4 8341 B11R0.142 CCCCOCC(=O)N(C)CC 527a_100000225621_100000757543 [1,1,0,0,0,0|2,0,0]=4 8342 B11R0.142 CCCCOCC(=O)N(C)CC 7a_100000210227_100000738999 [1,1,0,0,0,0|2,0,0]=4 8343 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [1,1,0,0,0,0|2,0,0]=4 8344 B11R0.142 CCCCSCC(=O)N(C)CC 11a_100000225621_100000191162 [1,1,0,0,0,0|2,0,0]=4 8345 B11R0.142 CCCCSCC(=O)N(C)CC 1626a_100000225621_100000191162 [1,1,0,0,0,0|2,0,0]=4 8346 B11R0.142 CCCCSCC(=O)N(C)CC 240690a_100000225621_100000191162 [1,1,0,0,0,0|2,0,0]=4 8347 B11R0.142 CCCCSCC(=O)N(C)CC 527a_100000225621_100000191162 [1,1,0,0,0,0|2,0,0]=4 8348 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000210211_100000738999 [1,1,0,0,0,0|2,0,0]=4 8349 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000738999_100000210210 [1,1,0,0,0,0|2,0,0]=4 8350 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [1,1,0,0,0,0|2,0,0]=4 8351 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [1,1,0,0,0,0|2,0,0]=4 8352 B11R0.142 CCN(C)C(=O)CCCCCO 240690a_100000225621_100102619762 [1,1,0,0,0,0|2,0,0]=4 8353 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [1,1,0,0,0,0|2,0,0]=4 8354 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [1,1,0,0,0,0|2,0,0]=4 8355 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [1,1,0,0,0,0|1,0,1]=4 8356 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [1,1,0,0,0,0|1,0,1]=4 8357 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [1,1,0,0,0,0|1,0,1]=4 8358 B11R0.155 CC#CC(=O)C(C)CCCCC 1458a_100000763181_200011218191 [1,1,0,0,0,0|1,0,1]=4 8359 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [1,1,0,0,0,0|1,0,1]=4 8360 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [1,1,0,0,0,0|1,0,1]=4 8361 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [1,1,0,0,0,0|1,0,0]=3 8362 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [1,1,0,0,0,0|1,0,0]=3 8363 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [1,1,0,0,0,0|2,0,0]=4 8364 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [1,1,0,0,0,0|2,0,0]=4 8365 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [1,1,0,0,0,0|2,0,0]=4 8366 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [1,1,0,0,0,0|2,0,0]=4 8367 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [1,1,0,0,0,0|2,0,0]=4 8368 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [1,1,0,0,0,0|1,0,0]=3 8369 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [1,1,0,0,0,0|1,0,0]=3 8370 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [1,1,0,0,0,0|1,0,0]=3 8371 B11R0.155 CCCCCC(C)C(=O)NNC 22a_100016993582_100011215998 [1,1,0,0,0,0|2,0,0]=4 8372 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 8373 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 8374 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 8375 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [1,1,0,0,0,0|2,0,0]=4 8376 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [1,1,0,0,0,0|2,0,0]=4 8377 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [1,1,0,0,0,0|2,0,0]=4 8378 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [1,1,0,0,0,0|1,0,1]=4 8379 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [1,1,0,0,0,0|1,0,1]=4 8380 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [1,1,0,0,0,0|1,0,1]=4 8381 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [1,1,0,0,0,0|2,0,0]=4 8382 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [1,1,0,0,0,0|2,0,0]=4 8383 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [1,1,0,0,0,0|2,0,0]=4 8384 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [1,1,0,0,0,0|2,0,0]=4 8385 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [1,1,0,0,0,0|1,0,0]=3 8386 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [1,1,0,0,0,0|1,0,0]=3 8387 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [1,1,0,0,0,0|1,0,0]=3 8388 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [1,1,0,0,0,0|1,0,0]=3 8389 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [1,1,0,0,0,0|1,1,0]=4 8390 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [1,1,0,0,0,0|2,0,0]=4 8391 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [1,1,0,0,0,0|2,0,0]=4 8392 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [1,1,0,0,0,0|1,0,0]=3 8393 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [1,1,0,0,0,0|1,0,0]=3 8394 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [1,1,0,0,0,0|1,0,0]=3 8395 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [1,1,0,0,0,0|1,0,0]=3 8396 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [1,1,0,0,0,0|1,0,0]=3 8397 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [1,1,0,0,0,0|2,0,0]=4 8398 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [1,1,0,0,0,0|2,0,0]=4 8399 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [1,1,0,0,0,0|2,0,0]=4 8400 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [1,1,0,0,0,0|2,0,0]=4 8401 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [1,1,0,0,0,0|2,0,0]=4 8402 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [1,1,0,0,0,0|2,0,0]=4 8403 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [1,1,0,0,0,0|1,0,0]=3 8404 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [1,1,0,0,0,0|1,0,0]=3 8405 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [1,1,0,0,0,0|1,0,0]=3 8406 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [1,1,0,0,0,0|1,0,0]=3 8407 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [1,1,0,0,0,0|1,0,1]=4 8408 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [1,1,0,0,0,0|1,0,1]=4 8409 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [1,1,0,0,0,0|2,0,0]=4 8410 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [1,1,0,0,0,0|2,0,0]=4 8411 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [1,1,0,0,0,0|2,0,0]=4 8412 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [1,1,0,0,0,0|2,0,0]=4 8413 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [1,1,0,0,0,0|2,0,0]=4 8414 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [1,1,0,0,0,0|2,0,0]=4 8415 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [1,1,0,0,0,0|2,0,0]=4 8416 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [1,1,0,0,0,0|2,0,0]=4 8417 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [1,1,0,0,0,0|2,0,0]=4 8418 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [1,1,0,0,0,0|2,0,0]=4 8419 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [1,1,0,0,0,0|2,0,0]=4 8420 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [1,1,0,0,0,0|2,0,0]=4 8421 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [1,1,0,0,0,0|2,0,0]=4 8422 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [1,1,0,0,0,0|2,0,0]=4 8423 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [1,1,0,0,0,0|2,0,0]=4 8424 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [1,1,0,0,0,0|2,0,0]=4 8425 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [1,1,0,0,0,0|2,0,0]=4 8426 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [1,1,0,0,0,0|2,0,0]=4 8427 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [1,1,0,0,0,0|2,0,0]=4 8428 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [1,1,0,0,0,0|2,0,0]=4 8429 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [1,1,0,0,0,0|2,0,0]=4 8430 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [1,1,0,0,0,0|2,0,0]=4 8431 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [1,1,0,0,0,0|2,0,0]=4 8432 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [1,1,0,0,0,0|2,0,0]=4 8433 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [1,1,0,0,0,0|2,0,0]=4 8434 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [1,1,0,0,0,0|2,0,0]=4 8435 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [1,1,0,0,0,0|2,0,0]=4 8436 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [1,1,0,0,0,0|2,0,0]=4 8437 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [1,1,0,0,0,0|2,0,0]=4 8438 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [1,1,0,0,0,0|2,0,0]=4 8439 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [1,1,0,0,0,0|2,0,0]=4 8440 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [1,1,0,0,0,0|2,0,0]=4 8441 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [1,1,0,0,0,0|2,0,0]=4 8442 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [1,1,0,0,0,0|2,0,0]=4 8443 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [1,1,0,0,0,0|2,0,0]=4 8444 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [1,1,0,0,0,0|2,0,0]=4 8445 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [1,1,0,0,0,0|2,0,0]=4 8446 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [1,1,0,0,0,0|2,0,0]=4 8447 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [1,1,0,0,0,0|2,0,0]=4 8448 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [1,1,0,0,0,0|2,0,0]=4 8449 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [1,1,0,0,0,0|2,0,0]=4 8450 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [1,1,0,0,0,0|2,0,0]=4 8451 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [1,1,0,0,0,0|2,0,0]=4 8452 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [1,1,0,0,0,0|2,0,0]=4 8453 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [1,1,0,0,0,0|2,0,0]=4 8454 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [1,1,0,0,0,0|2,0,0]=4 8455 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [1,1,0,0,0,0|1,0,1]=4 8456 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [1,1,0,0,0,0|1,0,1]=4 8457 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [1,1,0,0,0,0|1,0,1]=4 8458 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [1,1,0,0,0,0|1,0,1]=4 8459 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [1,1,0,0,0,0|2,0,0]=4 8460 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [1,1,0,0,0,0|2,0,0]=4 8461 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [1,1,0,0,0,0|2,0,0]=4 8462 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [1,1,0,0,0,0|2,0,0]=4 8463 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [1,1,0,0,0,0|2,0,0]=4 8464 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [1,1,0,0,0,0|2,0,0]=4 8465 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [1,1,0,0,0,0|2,0,0]=4 8466 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [1,1,0,0,0,0|2,0,0]=4 8467 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [1,1,0,0,0,0|2,0,0]=4 8468 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [1,1,0,0,0,0|2,0,0]=4 8469 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [1,1,0,0,0,0|2,0,0]=4 8470 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [1,1,0,0,0,0|2,0,0]=4 8471 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [1,1,0,0,0,0|2,0,0]=4 8472 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [1,1,0,0,0,0|2,0,0]=4 8473 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [1,1,0,0,0,0|1,0,1]=4 8474 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [1,1,0,0,0,0|2,0,0]=4 8475 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [1,1,0,0,0,0|2,0,0]=4 8476 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [1,1,0,0,0,0|2,0,0]=4 8477 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [1,1,0,0,0,0|2,0,0]=4 8478 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [1,1,0,0,0,0|2,0,0]=4 8479 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [1,1,0,0,0,0|2,0,0]=4 8480 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [1,1,0,0,0,0|2,0,0]=4 8481 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [1,1,0,0,0,0|2,0,0]=4 8482 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183381 [1,1,0,0,0,0|2,0,0]=4 8483 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100016988866_100011218378 [1,1,0,0,0,0|2,0,0]=4 8484 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [1,1,0,0,0,0|2,0,0]=4 8485 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [1,1,0,0,0,0|2,0,0]=4 8486 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [1,1,0,0,0,0|2,0,0]=4 8487 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [1,1,0,0,0,0|2,0,0]=4 8488 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100000183381_100011218378 [1,1,0,0,0,0|2,0,0]=4 8489 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100011218378_100000183381 [1,1,0,0,0,0|2,0,0]=4 8490 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [1,1,0,0,0,0|2,0,0]=4 8491 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [1,1,0,0,0,0|2,0,0]=4 8492 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [1,1,0,0,0,0|2,0,0]=4 8493 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [1,1,0,0,0,0|2,0,0]=4 8494 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [1,1,0,0,0,0|2,0,0]=4 8495 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [1,1,0,0,0,0|2,0,0]=4 8496 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [1,1,0,0,0,0|2,0,0]=4 8497 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [1,1,0,0,0,0|2,0,0]=4 8498 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [1,1,0,0,0,0|0,0,1]=3 8499 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [1,1,0,0,0,0|0,0,1]=3 8500 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [1,1,0,0,0,0|1,0,1]=4 8501 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [1,1,0,0,0,0|1,0,1]=4 8502 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [1,1,0,0,0,0|1,0,1]=4 8503 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [1,1,0,0,0,0|1,0,1]=4 8504 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [1,1,0,0,0,0|1,0,1]=4 8505 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [1,1,0,0,0,0|1,0,1]=4 8506 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [1,1,0,0,0,0|1,0,0]=3 8507 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [1,1,0,0,0,0|1,0,0]=3 8508 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [1,1,0,0,0,0|1,0,1]=4 8509 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [1,1,0,0,0,0|1,0,0]=3 8510 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [1,1,0,0,0,0|2,0,0]=4 8511 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [1,1,0,0,0,0|1,0,0]=3 8512 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [1,1,0,0,0,0|2,0,0]=4 8513 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [1,1,0,0,0,0|2,0,0]=4 8514 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [1,1,0,0,0,0|2,0,0]=4 8515 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [1,1,0,0,0,0|1,0,0]=3 8516 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [1,1,0,0,0,0|1,0,0]=3 8517 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [1,1,0,0,0,0|2,0,0]=4 8518 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [1,1,0,0,0,0|2,0,0]=4 8519 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [1,1,0,0,0,0|2,0,0]=4 8520 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [1,1,0,0,0,0|2,0,0]=4 8521 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [1,1,0,0,0,0|2,0,0]=4 8522 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [1,1,0,0,0,0|1,0,0]=3 8523 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [1,1,0,0,0,0|2,0,0]=4 8524 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [1,1,0,0,0,0|1,0,0]=3 8525 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [1,1,0,0,0,0|2,0,0]=4 8526 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [1,1,0,0,0,0|2,0,0]=4 8527 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [1,1,0,0,0,0|2,0,0]=4 8528 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [1,1,0,0,0,0|1,0,1]=4 8529 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [1,1,0,0,0,0|2,0,0]=4 8530 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [1,1,0,0,0,0|2,0,0]=4 8531 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [1,1,0,0,0,0|2,0,0]=4 8532 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [1,1,0,0,0,0|1,0,0]=3 8533 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [1,1,0,0,0,0|2,0,0]=4 8534 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [1,1,0,0,0,0|1,0,1]=4 8535 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [1,1,0,0,0,0|1,0,1]=4 8536 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [1,1,0,0,0,0|1,0,0]=3 8537 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [1,1,0,0,0,0|1,0,0]=3 8538 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [1,1,0,0,0,0|1,0,0]=3 8539 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [1,1,0,0,0,0|1,0,0]=3 8540 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [1,1,0,0,0,0|2,0,0]=4 8541 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [1,1,0,0,0,0|2,0,0]=4 8542 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [1,1,0,0,0,0|1,0,0]=3 8543 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [1,1,0,0,0,0|1,0,0]=3 8544 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [1,1,0,0,0,0|2,0,0]=4 8545 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [1,1,0,0,0,0|2,0,0]=4 8546 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [1,1,0,0,0,0|2,0,0]=4 8547 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [1,1,0,0,0,0|2,0,0]=4 8548 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [1,1,0,0,0,0|2,0,0]=4 8549 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [1,1,0,0,0,0|2,0,0]=4 8550 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [1,1,0,0,0,0|1,0,1]=4 8551 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [1,1,0,0,0,0|2,0,0]=4 8552 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [1,1,0,0,0,0|2,0,0]=4 8553 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [1,1,0,0,0,0|1,0,1]=4 8554 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [1,1,0,0,0,0|1,0,1]=4 8555 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [1,1,0,0,0,0|1,0,1]=4 8556 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [1,1,0,0,0,0|1,0,1]=4 8557 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [1,1,0,0,0,0|1,0,1]=4 8558 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [1,1,0,0,0,0|1,0,1]=4 8559 B11R0.176 CC#CC(=O)CCCCC(C)C 1458a_100000763181_100011216152 [1,1,0,0,0,0|1,0,1]=4 8560 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [1,1,0,0,0,0|2,0,0]=4 8561 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [1,1,0,0,0,0|2,0,0]=4 8562 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [1,1,0,0,0,0|2,0,0]=4 8563 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [1,1,0,0,0,0|1,0,1]=4 8564 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [1,1,0,0,0,0|1,0,1]=4 8565 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [1,1,0,0,0,0|1,0,0]=3 8566 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [1,1,0,0,0,0|1,0,0]=3 8567 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [1,1,0,0,0,0|2,0,0]=4 8568 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [1,1,0,0,0,0|2,0,0]=4 8569 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [1,1,0,0,0,0|2,0,0]=4 8570 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [1,1,0,0,0,0|2,0,0]=4 8571 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [1,1,0,0,0,0|2,0,0]=4 8572 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [1,1,0,0,0,0|2,0,0]=4 8573 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [1,1,0,0,0,0|2,0,0]=4 8574 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [1,1,0,0,0,0|2,0,0]=4 8575 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [1,1,0,0,0,0|2,0,0]=4 8576 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [1,1,0,0,0,0|2,0,0]=4 8577 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [1,1,0,0,0,0|1,0,0]=3 8578 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [1,1,0,0,0,0|1,0,0]=3 8579 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [1,1,0,0,0,0|1,0,0]=3 8580 B11R0.176 CCNC(=O)CCCCN(C)C 11a_100015525214_100000751710 [1,1,0,0,0,0|2,0,0]=4 8581 B11R0.176 CCNC(=O)CCCCN(C)C 240690a_100015525214_100000751710 [1,1,0,0,0,0|2,0,0]=4 8582 B11R0.176 CCNC(=O)CCCCN(C)C 527a_100015525214_100000751710 [1,1,0,0,0,0|2,0,0]=4 8583 B11R0.176 CCNC(=O)CCNCC(C)C 2230a_100000210953_100000737597 [1,1,0,0,0,0|2,0,0]=4 8584 B11R0.176 CCNC(=O)CCNCC(C)C 270004a_100025743525_100000210432 [1,1,0,0,0,0|2,0,0]=4 8585 B11R0.176 CCNC(=O)CCNCC(C)C 34a_100025743525_100000210624 [1,1,0,0,0,0|2,0,0]=4 8586 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [1,1,0,0,0,0|2,0,0]=4 8587 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [1,1,0,0,0,0|2,0,0]=4 8588 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [1,1,0,0,0,0|2,0,0]=4 8589 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000210624_100000737597 [1,1,0,0,0,0|2,0,0]=4 8590 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000737597_100000210760 [1,1,0,0,0,0|2,0,0]=4 8591 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [1,1,0,0,0,0|2,0,0]=4 8592 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [1,1,0,0,0,0|2,0,0]=4 8593 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [1,1,0,0,0,0|2,0,0]=4 8594 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [1,1,0,0,0,0|2,0,0]=4 8595 B11R0.176 CCNC(=O)CNCCC(C)C 2230a_100016988866_100000210312 [1,1,0,0,0,0|2,0,0]=4 8596 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [1,1,0,0,0,0|2,0,0]=4 8597 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [1,1,0,0,0,0|2,0,0]=4 8598 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [1,1,0,0,0,0|2,0,0]=4 8599 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [1,1,0,0,0,0|2,0,0]=4 8600 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [1,1,0,0,0,0|2,0,0]=4 8601 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [1,1,0,0,0,0|2,0,0]=4 8602 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000183381_100000210312 [1,1,0,0,0,0|2,0,0]=4 8603 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000210312_100000183381 [1,1,0,0,0,0|2,0,0]=4 8604 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [1,1,0,0,0,0|2,0,0]=4 8605 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [1,1,0,0,0,0|2,0,0]=4 8606 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [1,1,0,0,0,0|2,0,0]=4 8607 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [1,1,0,0,0,0|2,0,0]=4 8608 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [1,1,0,0,0,0|2,0,0]=4 8609 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [1,1,0,0,0,0|2,0,0]=4 8610 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [1,1,0,0,0,0|2,0,0]=4 8611 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [1,1,0,0,0,0|2,0,0]=4 8612 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [1,1,0,0,0,0|0,0,1]=3 8613 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [1,1,0,0,0,0|0,0,1]=3 8614 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [1,1,0,0,0,0|0,0,1]=3 8615 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [1,1,0,0,0,0|1,0,0]=3 8616 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [1,1,0,0,0,0|1,0,0]=3 8617 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [1,1,0,0,0,0|1,0,1]=4 8618 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [1,1,0,0,0,0|1,0,0]=3 8619 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [1,1,0,0,0,0|1,0,0]=3 8620 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [1,1,0,0,0,0|1,0,0]=3 8621 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [1,1,0,0,0,0|1,0,0]=3 8622 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [1,1,0,0,0,0|1,0,0]=3 8623 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [1,1,0,0,0,0|1,0,0]=3 8624 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [1,1,0,0,0,0|1,0,0]=3 8625 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [1,1,0,0,0,0|1,0,0]=3 8626 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [1,1,0,0,0,0|1,0,0]=3 8627 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [1,1,0,0,0,0|1,0,0]=3 8628 B11R0.176 CCOC(=O)CCNCC(F)F 34a_100000765723_100000765890 [1,1,0,0,0,0|2,0,0]=4 8629 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [1,1,0,0,0,0|1,0,1]=4 8630 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [1,1,0,0,0,0|1,0,0]=3 8631 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [1,1,0,0,0,0|1,0,0]=3 8632 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [1,1,0,0,0,0|1,0,0]=3 8633 B11R0.176 CCOC(=O)CCOCC(F)F 34a_100000743014_100000765890 [1,1,0,0,0,0|2,0,0]=4 8634 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [1,1,0,0,0,0|1,0,0]=3 8635 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [1,1,0,0,0,0|1,0,0]=3 8636 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [1,1,0,0,0,0|1,0,0]=3 8637 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [1,1,0,0,0,0|1,0,0]=3 8638 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [1,1,0,0,0,0|1,0,0]=3 8639 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [1,1,0,0,0,0|1,0,0]=3 8640 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100000765890_100011934356 [1,1,0,0,0,0|2,0,0]=4 8641 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100011934356_100000765890 [1,1,0,0,0,0|2,0,0]=4 8642 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [1,1,0,0,0,0|1,0,0]=3 8643 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [1,1,0,0,0,0|1,0,0]=3 8644 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [1,1,0,0,0,0|1,0,0]=3 8645 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [1,1,0,0,0,0|1,0,1]=4 8646 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [1,1,0,0,0,0|1,0,1]=4 8647 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [1,1,0,0,0,0|1,0,1]=4 8648 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [1,1,0,0,0,0|1,0,0]=3 8649 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [1,1,0,0,0,0|1,0,0]=3 8650 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [1,1,0,0,0,0|1,0,0]=3 8651 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [1,1,0,0,0,0|2,0,0]=4 8652 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [1,1,0,0,0,0|2,0,0]=4 8653 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [1,1,0,0,0,0|2,0,0]=4 8654 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [1,1,0,0,0,0|1,0,0]=3 8655 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [1,1,0,0,0,0|1,0,1]=4 8656 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [1,1,0,0,0,0|1,0,1]=4 8657 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [1,1,0,0,0,0|1,0,0]=3 8658 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [1,1,0,0,0,0|1,0,0]=3 8659 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [1,1,0,0,0,0|1,0,0]=3 8660 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [1,1,0,0,0,0|1,0,0]=3 8661 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [1,1,0,0,0,0|2,0,0]=4 8662 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [1,1,0,0,0,0|2,0,0]=4 8663 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [1,1,0,0,0,0|2,0,0]=4 8664 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [1,1,0,0,0,0|2,0,0]=4 8665 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [1,1,0,0,0,0|2,0,0]=4 8666 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [1,1,0,0,0,0|2,0,0]=4 8667 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [1,1,0,0,0,0|2,0,0]=4 8668 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [1,1,0,0,0,0|2,0,0]=4 8669 B11R0.176 CNNC(=O)CCCCC(C)C 22a_100016993582_100011933920 [1,1,0,0,0,0|2,0,0]=4 8670 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [1,1,0,0,0,0|2,0,0]=4 8671 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [1,1,0,0,0,0|2,0,0]=4 8672 B11R0.304 CCCCCCC(C)(C)OCC 7a_200011995690_100000210202 [1,1,0,0,0,0|1,0,1]=4 8673 B11R0.304 CCCCCCS(=O)(=O)NCC 270084a_100015525214_100011361803 [1,1,0,0,0,0|2,0,0]=4 8674 B11R0.304 CCCCCCS(=O)(=O)NCC 274078a_100015525214_100011361803 [1,1,0,0,0,0|2,0,0]=4 8675 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [1,1,0,0,0,0|0,0,2]=4 8676 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [1,1,0,0,0,0|0,0,2]=4 8677 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [1,1,0,0,0,0|0,0,2]=4 8678 B11R0.3 C#CCOCCCCCCCC 34a_100000210232_100000184674 [1,1,0,0,0,0|0,0,2]=4 8679 B11R0.3 C#CCOCCCCCCCC 34a_100000210247_100000210759 [1,1,0,0,0,0|0,0,2]=4 8680 B11R0.3 C#CCOCCCCCCCC 7a_100000210232_100000038162 [1,1,0,0,0,0|0,0,2]=4 8681 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [1,1,0,0,0,0|0,0,2]=4 8682 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [1,1,0,0,0,0|0,0,2]=4 8683 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [1,1,0,0,0,0|0,0,2]=4 8684 B11R0.3 C=CCOCCCCCCCC 34a_100000210232_100015514636 [1,1,0,0,0,0|0,0,2]=4 8685 B11R0.3 C=CCOCCCCCCCC 34a_200000210373_100000210759 [1,1,0,0,0,0|0,0,2]=4 8686 B11R0.3 C=CCOCCCCCCCC 7a_100000210232_100015514636 [1,1,0,0,0,0|0,0,2]=4 8687 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [1,1,0,0,0,0|1,0,0]=3 8688 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [1,1,0,0,0,0|1,0,0]=3 8689 B11R0.3 CC/C=C/CCCOCCCF 34a_100016287902_100011934791 [1,1,0,0,0,0|2,0,0]=4 8690 B11R0.3 CC/C=C/CCCOCCCF 7a_100016287902_100011934791 [1,1,0,0,0,0|2,0,0]=4 8691 B11R0.3 CC/C=C/CCCOCCCO 34a_100016287902_100000230001 [1,1,0,0,0,0|2,0,0]=4 8692 B11R0.3 CC/C=C/CCCOCCCO 7a_100016287902_100011215043 [1,1,0,0,0,0|2,0,0]=4 8693 B11R0.3 CC/C=C/CCCOCCOC 34a_100016287902_100011201679 [1,1,0,0,0,0|2,0,0]=4 8694 B11R0.3 CC/C=C/CCCOCCOC 7a_100016287902_100000233755 [1,1,0,0,0,0|2,0,0]=4 8695 B11R0.3 CC/C=C/CCCOCCSC 34a_100016287902_100000212216 [1,1,0,0,0,0|2,0,0]=4 8696 B11R0.3 CC/C=C/CCCOCCSC 7a_100016287902_100000212216 [1,1,0,0,0,0|2,0,0]=4 8697 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [1,1,0,0,0,0|1,0,0]=3 8698 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [1,1,0,0,0,0|1,0,0]=3 8699 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [1,1,0,0,0,0|1,0,0]=3 8700 B11R0.3 CC/C=C\CCCCCOCF 34a_100016268722_100015361967 [1,1,0,0,0,0|2,0,0]=4 8701 B11R0.3 CC/C=C\CCCCCOCF 7a_100016268722_100015361967 [1,1,0,0,0,0|2,0,0]=4 8702 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [1,1,0,0,0,0|1,0,0]=3 8703 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [1,1,0,0,0,0|1,0,0]=3 8704 B11R0.3 CC/C=C\CCCCOCCF 34a_100016287862_100011217306 [1,1,0,0,0,0|2,0,0]=4 8705 B11R0.3 CC/C=C\CCCCOCCF 7a_100016287862_100011217306 [1,1,0,0,0,0|2,0,0]=4 8706 B11R0.3 CC/C=C\CCCCOCCO 34a_100016287862_100000211926 [1,1,0,0,0,0|2,0,0]=4 8707 B11R0.3 CC/C=C\CCCCOCCO 7a_100016287862_100000211926 [1,1,0,0,0,0|2,0,0]=4 8708 B11R0.3 CC/C=C\CCCCOCSC 34a_100016287862_100011218213 [1,1,0,0,0,0|2,0,0]=4 8709 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [1,1,0,0,0,0|1,0,0]=3 8710 B11R0.3 CC/C=C\CCNCCCCO 2230a_100000750430_100015370543 [1,1,0,0,0,0|2,0,0]=4 8711 B11R0.3 CC/C=C\CCNCCCCO 34a_100000750430_100015370543 [1,1,0,0,0,0|2,0,0]=4 8712 B11R0.3 CC/C=C\CCNCCCOC 34a_100150723488_100015370543 [1,1,0,0,0,0|2,0,0]=4 8713 B11R0.3 CC/C=C\CCNCCCSC 2230a_100000749238_100015370543 [1,1,0,0,0,0|2,0,0]=4 8714 B11R0.3 CC/C=C\CCNCCOCC 2230a_102516460346_100015370543 [1,1,0,0,0,0|2,0,0]=4 8715 B11R0.3 CC/C=C\CCNCCOCC 34a_102516460346_100015370543 [1,1,0,0,0,0|2,0,0]=4 8716 B11R0.3 CC/C=C\CCNCCSCC 2230a_100000106463_100015370543 [1,1,0,0,0,0|2,0,0]=4 8717 B11R0.3 CC/C=C\CCOCCCCBr 34a_100011216708_100015370543 [1,1,0,0,0,0|2,0,0]=4 8718 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [1,1,0,0,0,0|1,0,0]=3 8719 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [1,1,0,0,0,0|1,0,0]=3 8720 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [1,1,0,0,0,0|1,0,0]=3 8721 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [1,1,0,0,0,0|1,0,0]=3 8722 B11R0.3 CC/C=C\CCOCCCCCl 34a_100000210776_100015370543 [1,1,0,0,0,0|2,0,0]=4 8723 B11R0.3 CC/C=C\CCOCCCCCl 7a_100000210776_100015370543 [1,1,0,0,0,0|2,0,0]=4 8724 B11R0.3 CC/C=C\CCOCCCCF 34a_100011995726_100015370543 [1,1,0,0,0,0|2,0,0]=4 8725 B11R0.3 CC/C=C\CCOCCCCF 34a_100016288707_100000729493 [1,1,0,0,0,0|2,0,0]=4 8726 B11R0.3 CC/C=C\CCOCCCCF 7a_100011995726_100015370543 [1,1,0,0,0,0|2,0,0]=4 8727 B11R0.3 CC/C=C\CCOCCCCF 7a_100016288707_100000729493 [1,1,0,0,0,0|2,0,0]=4 8728 B11R0.3 CC/C=C\CCOCCCCI 34a_200012148704_100015370543 [1,1,0,0,0,0|2,0,0]=4 8729 B11R0.3 CC/C=C\CCOCCCCN 34a_100000750430_100015370543 [1,1,0,0,0,0|2,0,0]=4 8730 B11R0.3 CC/C=C\CCOCCCCO 34a_100016288707_100011216708 [1,1,0,0,0,0|2,0,0]=4 8731 B11R0.3 CC/C=C\CCOCCCCO 7a_100016288707_100000210776 [1,1,0,0,0,0|2,0,0]=4 8732 B11R0.3 CC/C=C\CCOCCCNC 34a_100000213112_100015370543 [1,1,0,0,0,0|2,0,0]=4 8733 B11R0.3 CC/C=C\CCOCCCOC 34a_100000740835_100015370543 [1,1,0,0,0,0|2,0,0]=4 8734 B11R0.3 CC/C=C\CCOCCCOC 34a_100016288707_100000740836 [1,1,0,0,0,0|2,0,0]=4 8735 B11R0.3 CC/C=C\CCOCCCOC 7a_100016288707_100000740836 [1,1,0,0,0,0|2,0,0]=4 8736 B11R0.3 CC/C=C\CCOCCCSC 34a_100000690336_100015370543 [1,1,0,0,0,0|2,0,0]=4 8737 B11R0.3 CC/C=C\CCOCCCSC 7a_100000690336_100015370543 [1,1,0,0,0,0|2,0,0]=4 8738 B11R0.3 CC/C=C\CCOCCOCC 34a_100000210136_100015370543 [1,1,0,0,0,0|2,0,0]=4 8739 B11R0.3 CC/C=C\CCOCCOCC 34a_100016288707_100000210147 [1,1,0,0,0,0|2,0,0]=4 8740 B11R0.3 CC/C=C\CCOCCOCC 7a_100000210136_100015370543 [1,1,0,0,0,0|2,0,0]=4 8741 B11R0.3 CC/C=C\CCOCCOCC 7a_100016288707_100011215890 [1,1,0,0,0,0|2,0,0]=4 8742 B11R0.3 CC/C=C\CCOCCSCC 34a_100000212035_100015370543 [1,1,0,0,0,0|2,0,0]=4 8743 B11R0.3 CC/C=C\CCOCCSCC 34a_100016288707_100000757381 [1,1,0,0,0,0|2,0,0]=4 8744 B11R0.3 CC/C=C\CCOCCSCC 7a_100000212035_100015370543 [1,1,0,0,0,0|2,0,0]=4 8745 B11R0.3 CC/C=C\CCOCCSCC 7a_100016288707_100000757381 [1,1,0,0,0,0|2,0,0]=4 8746 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [1,1,0,0,0,0|1,0,0]=3 8747 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [1,1,0,0,0,0|1,0,0]=3 8748 B11R0.3 CC/C=C\CCSCCCCF 62a_100000729493_100015370543 [1,1,0,0,0,0|2,0,0]=4 8749 B11R0.3 CC/C=C\CCSCCCCF 62a_100015370543_100000729493 [1,1,0,0,0,0|2,0,0]=4 8750 B11R0.3 CC/C=C\CCSCCCCO 62a_100000210776_100015370543 [1,1,0,0,0,0|2,0,0]=4 8751 B11R0.3 CC/C=C\CCSCCCCO 62a_100015370543_100000210776 [1,1,0,0,0,0|2,0,0]=4 8752 B11R0.3 CC/C=C\CCSCCCOC 62a_100000709357_100015370543 [1,1,0,0,0,0|2,0,0]=4 8753 B11R0.3 CC/C=C\CCSCCCOC 62a_100015370543_100000709357 [1,1,0,0,0,0|2,0,0]=4 8754 B11R0.3 CC/C=C\CCSCCOCC 62a_100000210147_100015370543 [1,1,0,0,0,0|2,0,0]=4 8755 B11R0.3 CC/C=C\CCSCCOCC 62a_100015370543_100011215890 [1,1,0,0,0,0|2,0,0]=4 8756 B11R0.3 CC/C=C\CCSCCSCC 62a_100000757381_100015370543 [1,1,0,0,0,0|2,0,0]=4 8757 B11R0.3 CC/C=C\CCSCCSCC 62a_100015370543_100000757381 [1,1,0,0,0,0|2,0,0]=4 8758 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [1,1,0,0,0,0|1,0,0]=3 8759 B11R0.3 CC/C=C\CNCCCCCO 2230a_100000762737_100103147603 [1,1,0,0,0,0|2,0,0]=4 8760 B11R0.3 CC/C=C\CNCCCCCO 34a_100000762737_100103147603 [1,1,0,0,0,0|2,0,0]=4 8761 B11R0.3 CC/C=C\CNCCCOCC 2230a_100000210961_100103147603 [1,1,0,0,0,0|2,0,0]=4 8762 B11R0.3 CC/C=C\CNCCCOCC 34a_100000210961_100103147603 [1,1,0,0,0,0|2,0,0]=4 8763 B11R0.3 CC/C=C\CNCCOCCC 2230a_100161115042_100103147603 [1,1,0,0,0,0|2,0,0]=4 8764 B11R0.3 CC/C=C\CNCCOCCC 34a_100161115042_100103147603 [1,1,0,0,0,0|2,0,0]=4 8765 B11R0.3 CC/C=C\CNCCSCCC 2230a_100020603323_100103147603 [1,1,0,0,0,0|2,0,0]=4 8766 B11R0.3 CC/C=C\COCCCCCBr 34a_100000746331_100103147603 [1,1,0,0,0,0|2,0,0]=4 8767 B11R0.3 CC/C=C\COCCCCCBr 7a_100000746331_100103147603 [1,1,0,0,0,0|2,0,0]=4 8768 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [1,1,0,0,0,0|1,0,0]=3 8769 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [1,1,0,0,0,0|1,0,0]=3 8770 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [1,1,0,0,0,0|1,0,0]=3 8771 B11R0.3 CC/C=C\COCCCCCCl 34a_100000746330_100103147603 [1,1,0,0,0,0|2,0,0]=4 8772 B11R0.3 CC/C=C\COCCCCCCl 7a_100000746330_100103147603 [1,1,0,0,0,0|2,0,0]=4 8773 B11R0.3 CC/C=C\COCCCCCF 34a_100016268518_100000729378 [1,1,0,0,0,0|2,0,0]=4 8774 B11R0.3 CC/C=C\COCCCCCI 34a_200012148887_100103147603 [1,1,0,0,0,0|2,0,0]=4 8775 B11R0.3 CC/C=C\COCCCCCI 7a_200012148887_100103147603 [1,1,0,0,0,0|2,0,0]=4 8776 B11R0.3 CC/C=C\COCCCCCN 34a_100000762737_100103147603 [1,1,0,0,0,0|2,0,0]=4 8777 B11R0.3 CC/C=C\COCCCCCO 34a_100016268518_100000746330 [1,1,0,0,0,0|2,0,0]=4 8778 B11R0.3 CC/C=C\COCCCCOC 34a_100000740925_100103147603 [1,1,0,0,0,0|2,0,0]=4 8779 B11R0.3 CC/C=C\COCCCCOC 34a_100016268518_100000755781 [1,1,0,0,0,0|2,0,0]=4 8780 B11R0.3 CC/C=C\COCCCCSC 34a_100011217163_100103147603 [1,1,0,0,0,0|2,0,0]=4 8781 B11R0.3 CC/C=C\COCCCCSC 7a_100011217163_100103147603 [1,1,0,0,0,0|2,0,0]=4 8782 B11R0.3 CC/C=C\COCCCOCC 34a_100000757476_100103147603 [1,1,0,0,0,0|2,0,0]=4 8783 B11R0.3 CC/C=C\COCCCOCC 34a_100016268518_100012232248 [1,1,0,0,0,0|2,0,0]=4 8784 B11R0.3 CC/C=C\COCCCOCC 7a_100000757476_100103147603 [1,1,0,0,0,0|2,0,0]=4 8785 B11R0.3 CC/C=C\COCCCSCC 34a_100011216438_100103147603 [1,1,0,0,0,0|2,0,0]=4 8786 B11R0.3 CC/C=C\COCCCSCC 7a_100011216438_100103147603 [1,1,0,0,0,0|2,0,0]=4 8787 B11R0.3 CC/C=C\COCCOCCC 34a_100000752267_100103147603 [1,1,0,0,0,0|2,0,0]=4 8788 B11R0.3 CC/C=C\COCCOCCC 34a_100016268518_100011215938 [1,1,0,0,0,0|2,0,0]=4 8789 B11R0.3 CC/C=C\COCCOCCC 7a_100000752267_100103147603 [1,1,0,0,0,0|2,0,0]=4 8790 B11R0.3 CC/C=C\COCCSCCC 34a_200000230433_100103147603 [1,1,0,0,0,0|2,0,0]=4 8791 B11R0.3 CC/C=C\COCCSCCC 7a_200000230433_100103147603 [1,1,0,0,0,0|2,0,0]=4 8792 B11R0.3 CC/C=C\COCOCCCC 34a_100016268518_100011995733 [1,1,0,0,0,0|2,0,0]=4 8793 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [1,1,0,0,0,0|1,0,0]=3 8794 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [1,1,0,0,0,0|1,0,0]=3 8795 B11R0.3 CC/C=C\CSCCCCCF 62a_100000729378_100103147603 [1,1,0,0,0,0|2,0,0]=4 8796 B11R0.3 CC/C=C\CSCCCCCF 62a_100103147603_100000729378 [1,1,0,0,0,0|2,0,0]=4 8797 B11R0.3 CC/C=C\CSCCCCCO 62a_100000746330_100103147603 [1,1,0,0,0,0|2,0,0]=4 8798 B11R0.3 CC/C=C\CSCCCCCO 62a_100103147603_100000746330 [1,1,0,0,0,0|2,0,0]=4 8799 B11R0.3 CC/C=C\CSCCCCOC 62a_100000730899_100103147603 [1,1,0,0,0,0|2,0,0]=4 8800 B11R0.3 CC/C=C\CSCCCCOC 62a_100103147603_100000730899 [1,1,0,0,0,0|2,0,0]=4 8801 B11R0.3 CC/C=C\CSCCCOCC 62a_100012232248_100103147603 [1,1,0,0,0,0|2,0,0]=4 8802 B11R0.3 CC/C=C\CSCCCOCC 62a_100103147603_100012232248 [1,1,0,0,0,0|2,0,0]=4 8803 B11R0.3 CC/C=C\CSCCOCCC 62a_100011215938_100103147603 [1,1,0,0,0,0|2,0,0]=4 8804 B11R0.3 CC/C=C\CSCCOCCC 62a_100103147603_100011215938 [1,1,0,0,0,0|2,0,0]=4 8805 B11R0.3 CC/C=C\CSCOCCCC 62a_100011995733_100103147603 [1,1,0,0,0,0|2,0,0]=4 8806 B11R0.3 CC/C=C\CSCOCCCC 62a_100103147603_100011995733 [1,1,0,0,0,0|2,0,0]=4 8807 B11R0.3 CC=C=CCCOCCCCC 34a_100011020354_100000718602 [1,1,0,0,0,0|1,0,1]=4 8808 B11R0.3 CCC#CCCCCCCNC 2230a_106832991635_200000036426 [1,1,0,0,0,0|1,0,1]=4 8809 B11R0.3 CCC#CCCCCCCNC 34a_100102657272_200000036426 [1,1,0,0,0,0|1,0,1]=4 8810 B11R0.3 CCC#CCCCCCCNC 7a_106832991635_200000036426 [1,1,0,0,0,0|1,0,1]=4 8811 B11R0.3 CCC#CCCCCCCOC 34a_100138415774_200000036426 [1,1,0,0,0,0|1,0,1]=4 8812 B11R0.3 CCC#CCCCCCCSC 62a_200000036426_200000210301 [1,1,0,0,0,0|1,0,1]=4 8813 B11R0.3 CCC#CCCCCCCSC 62a_200000210301_200000036426 [1,1,0,0,0,0|1,0,1]=4 8814 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200000036426_200025704644 [1,1,0,0,0,0|1,0,1]=4 8815 B11R0.3 CCC#CCCCCCCS[13CH3] 62a_200025704644_200000036426 [1,1,0,0,0,0|1,0,1]=4 8816 B11R0.3 CCC#CCCOCCCCC 34a_100000036655_100000718602 [1,1,0,0,0,0|1,0,1]=4 8817 B11R0.3 CCC#CCCOCCCCC 7a_100000036655_100000210326 [1,1,0,0,0,0|1,0,1]=4 8818 B11R0.3 CCC#CCNCCCCCC 2230a_100000210581_100009813939 [1,1,0,0,0,0|1,0,1]=4 8819 B11R0.3 CCC#CCOCCCCCC 34a_100000032950_100000210314 [1,1,0,0,0,0|1,0,1]=4 8820 B11R0.3 CCC#CCOCCCCCC 34a_100000210259_100009813939 [1,1,0,0,0,0|1,0,1]=4 8821 B11R0.3 CCC#CCOCCCCCC 7a_100000210259_100009813939 [1,1,0,0,0,0|1,0,1]=4 8822 B11R0.3 CCC#CCSCCCCCC 62a_100000210314_100009813939 [1,1,0,0,0,0|1,0,1]=4 8823 B11R0.3 CCC#CCSCCCCCC 62a_100009813939_100000210757 [1,1,0,0,0,0|1,0,1]=4 8824 B11R0.3 CCC/C=C/COCCCCC 34a_100016278788_100000718602 [1,1,0,0,0,0|1,0,1]=4 8825 B11R0.3 CCC/C=C/COCCCCC 7a_100016278788_100000210326 [1,1,0,0,0,0|1,0,1]=4 8826 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [1,1,0,0,0,0|0,0,2]=4 8827 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [1,1,0,0,0,0|0,0,2]=4 8828 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [1,1,0,0,0,0|0,0,2]=4 8829 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [1,1,0,0,0,0|0,0,2]=4 8830 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [1,1,0,0,0,0|0,0,2]=4 8831 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [1,1,0,0,0,0|0,0,1]=3 8832 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [1,1,0,0,0,0|0,0,1]=3 8833 B11R0.3 CCCCCC/C=C/COCF 34a_200016276170_100015361967 [1,1,0,0,0,0|1,0,1]=4 8834 B11R0.3 CCCCCC/C=C/COCF 7a_200016276170_100015361967 [1,1,0,0,0,0|1,0,1]=4 8835 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [1,1,0,0,0,0|0,0,2]=4 8836 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [1,1,0,0,0,0|0,0,2]=4 8837 B11R0.3 CCCCCCCC#CCOC 34a_200000061759_200000210301 [1,1,0,0,0,0|1,0,1]=4 8838 B11R0.3 CCCCCCCC#CCOC 7a_200000061759_200000210301 [1,1,0,0,0,0|1,0,1]=4 8839 B11R0.3 CCCCCCCC#CCO[13CH3] 34a_200000061759_200025704644 [1,1,0,0,0,0|1,0,1]=4 8840 B11R0.3 CCCCCCCC#CCO[13CH3] 7a_200000061759_200025704644 [1,1,0,0,0,0|1,0,1]=4 8841 B11R0.3 CCCCCCCC=NNCC 4a_100000756455_100000210592 [1,1,0,0,0,0|1,0,0]=3 8842 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 8843 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 8844 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [1,1,0,0,0,0|1,0,1]=4 8845 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [1,1,0,0,0,0|1,0,1]=4 8846 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [1,1,0,0,0,0|1,0,1]=4 8847 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 8848 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [1,1,0,0,0,0|1,0,1]=4 8849 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [1,1,0,0,0,0|1,0,1]=4 8850 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [1,1,0,0,0,0|1,0,1]=4 8851 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [1,1,0,0,0,0|1,0,1]=4 8852 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [1,1,0,0,0,0|1,0,1]=4 8853 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [1,1,0,0,0,0|1,0,1]=4 8854 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [1,1,0,0,0,0|1,0,1]=4 8855 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [1,1,0,0,0,0|1,0,1]=4 8856 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 8857 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [1,1,0,0,0,0|1,0,1]=4 8858 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [1,1,0,0,0,0|1,0,1]=4 8859 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [1,1,0,0,0,0|0,0,1]=3 8860 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [1,1,0,0,0,0|0,0,1]=3 8861 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [1,1,0,0,0,0|0,0,1]=3 8862 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [1,1,0,0,0,0|1,0,1]=4 8863 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [1,1,0,0,0,0|1,0,1]=4 8864 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [1,1,0,0,0,0|0,1,1]=4 8865 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 8866 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [1,1,0,0,0,0|1,0,1]=4 8867 B11R0.3 CCCCCCCCNCCF 2230a_100000229939_100011217306 [1,1,0,0,0,0|1,0,1]=4 8868 B11R0.3 CCCCCCCCNCCF 34a_100000229939_100011217306 [1,1,0,0,0,0|1,0,1]=4 8869 B11R0.3 CCCCCCCCNCCF 34a_100000724931_100000210759 [1,1,0,0,0,0|1,0,1]=4 8870 B11R0.3 CCCCCCCCNCCO 2230a_100000229939_100000211926 [1,1,0,0,0,0|1,0,1]=4 8871 B11R0.3 CCCCCCCCNCCO 2230a_100016997473_100000210759 [1,1,0,0,0,0|1,0,1]=4 8872 B11R0.3 CCCCCCCCNCCO 34a_100000229939_100000211926 [1,1,0,0,0,0|1,0,1]=4 8873 B11R0.3 CCCCCCCCNCCO 34a_100016990907_100000210759 [1,1,0,0,0,0|1,0,1]=4 8874 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [1,1,0,0,0,0|1,0,1]=4 8875 B11R0.3 CCCCCCCCNCSC 2230a_100000229939_100011218213 [1,1,0,0,0,0|1,0,1]=4 8876 B11R0.3 CCCCCCCCNCSC 34a_100000229939_100011218213 [1,1,0,0,0,0|1,0,1]=4 8877 B11R0.3 CCCCCCCCOCC#N 7a_100000210232_100011215382 [1,1,0,0,0,0|0,0,2]=4 8878 B11R0.3 CCCCCCCCOCC=O 34a_100000210232_200009817547 [1,1,0,0,0,0|0,0,2]=4 8879 B11R0.3 CCCCCCCCOCC=O 7a_100000210232_200015260668 [1,1,0,0,0,0|0,0,2]=4 8880 B11R0.3 CCCCCCCCOCCBr 34a_100000211926_100000210759 [1,1,0,0,0,0|0,0,1]=3 8881 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [1,1,0,0,0,0|0,0,1]=3 8882 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [1,1,0,0,0,0|0,0,1]=3 8883 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [1,1,0,0,0,0|0,0,1]=3 8884 B11R0.3 CCCCCCCCOCCF 34a_100000210232_100011217306 [1,1,0,0,0,0|0,0,1]=3 8885 B11R0.3 CCCCCCCCOCCF 7a_100000210232_100011217306 [1,1,0,0,0,0|0,0,1]=3 8886 B11R0.3 CCCCCCCCOCCN 34a_100000210304_100000210759 [1,1,0,0,0,0|0,0,1]=3 8887 B11R0.3 CCCCCCCCOCCO 34a_100000210232_100000211926 [1,1,0,0,0,0|0,0,1]=3 8888 B11R0.3 CCCCCCCCOCCO 7a_100000210232_100000211926 [1,1,0,0,0,0|0,0,1]=3 8889 B11R0.3 CCCCCCCCOCSC 34a_100000210232_100011218213 [1,1,0,0,0,0|0,0,1]=3 8890 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [1,1,0,0,0,0|0,1,1]=4 8891 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [1,1,0,0,0,0|0,1,1]=4 8892 B11R0.3 CCCCCCCCSCCF 62a_100000210759_100011217306 [1,1,0,0,0,0|0,1,1]=4 8893 B11R0.3 CCCCCCCCSCCF 62a_100011217306_100000210317 [1,1,0,0,0,0|0,1,1]=4 8894 B11R0.3 CCCCCCCCSCCO 62a_100000210759_100000211926 [1,1,0,0,0,0|0,1,1]=4 8895 B11R0.3 CCCCCCCCSCCO 62a_100000211926_100000210317 [1,1,0,0,0,0|0,1,1]=4 8896 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [1,1,0,0,0,0|0,1,1]=4 8897 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [1,1,0,0,0,0|0,1,1]=4 8898 B11R0.3 CCCCCCCCSCSC 62a_100000210759_100011218213 [1,1,0,0,0,0|0,1,1]=4 8899 B11R0.3 CCCCCCCCSCSC 62a_100011218213_100000210317 [1,1,0,0,0,0|0,1,1]=4 8900 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [1,1,0,0,0,0|1,0,1]=4 8901 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [1,1,0,0,0,0|1,0,1]=4 8902 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [1,1,0,0,0,0|1,0,1]=4 8903 B11R0.3 CCCCCCCNCCCF 2230a_100000229938_100011934791 [1,1,0,0,0,0|2,0,0]=4 8904 B11R0.3 CCCCCCCNCCCF 2230a_100015189416_100000210681 [1,1,0,0,0,0|2,0,0]=4 8905 B11R0.3 CCCCCCCNCCCF 34a_100015189416_100000210614 [1,1,0,0,0,0|2,0,0]=4 8906 B11R0.3 CCCCCCCNCCCO 2230a_100000229938_100000230001 [1,1,0,0,0,0|2,0,0]=4 8907 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [1,1,0,0,0,0|2,0,0]=4 8908 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [1,1,0,0,0,0|2,0,0]=4 8909 B11R0.3 CCCCCCCNCCSC 2230a_100000229938_100000751147 [1,1,0,0,0,0|2,0,0]=4 8910 B11R0.3 CCCCCCCNCCSC 2230a_100020590264_100000210681 [1,1,0,0,0,0|2,0,0]=4 8911 B11R0.3 CCCCCCCOCCCBr 34a_100011217188_100000210614 [1,1,0,0,0,0|2,0,0]=4 8912 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [1,1,0,0,0,0|1,0,1]=4 8913 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [1,1,0,0,0,0|1,0,1]=4 8914 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [1,1,0,0,0,0|1,0,1]=4 8915 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [1,1,0,0,0,0|1,0,1]=4 8916 B11R0.3 CCCCCCCOCCCCl 34a_100000230001_100000210614 [1,1,0,0,0,0|2,0,0]=4 8917 B11R0.3 CCCCCCCOCCCF 34a_100000210272_100011934791 [1,1,0,0,0,0|2,0,0]=4 8918 B11R0.3 CCCCCCCOCCCF 34a_100000759539_100000210614 [1,1,0,0,0,0|2,0,0]=4 8919 B11R0.3 CCCCCCCOCCCF 7a_100000210272_100011934791 [1,1,0,0,0,0|2,0,0]=4 8920 B11R0.3 CCCCCCCOCCCN 34a_100000182051_100000210614 [1,1,0,0,0,0|2,0,0]=4 8921 B11R0.3 CCCCCCCOCCCO 34a_100000210272_100000230001 [1,1,0,0,0,0|2,0,0]=4 8922 B11R0.3 CCCCCCCOCCCO 7a_100000210272_100011215043 [1,1,0,0,0,0|2,0,0]=4 8923 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [1,1,0,0,0,0|2,0,0]=4 8924 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [1,1,0,0,0,0|2,0,0]=4 8925 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [1,1,0,0,0,0|2,0,0]=4 8926 B11R0.3 CCCCCCCOCCSC 34a_100000210272_100000212216 [1,1,0,0,0,0|2,0,0]=4 8927 B11R0.3 CCCCCCCOCCSC 34a_100000230434_100000210614 [1,1,0,0,0,0|2,0,0]=4 8928 B11R0.3 CCCCCCCOCCSC 7a_100000210272_100000212216 [1,1,0,0,0,0|2,0,0]=4 8929 B11R0.3 CCCCCCCOCCSC 7a_100000230434_100000210614 [1,1,0,0,0,0|2,0,0]=4 8930 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [1,1,0,0,0,0|1,0,1]=4 8931 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [1,1,0,0,0,0|1,0,1]=4 8932 B11R0.3 CCCCCCCSCCCF 62a_100000210614_100011934791 [1,1,0,0,0,0|2,0,0]=4 8933 B11R0.3 CCCCCCCSCCCF 62a_100011934791_100000210316 [1,1,0,0,0,0|2,0,0]=4 8934 B11R0.3 CCCCCCCSCCCO 62a_100000210614_100011215043 [1,1,0,0,0,0|2,0,0]=4 8935 B11R0.3 CCCCCCCSCCCO 62a_100011215043_100000210316 [1,1,0,0,0,0|2,0,0]=4 8936 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [1,1,0,0,0,0|2,0,0]=4 8937 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [1,1,0,0,0,0|2,0,0]=4 8938 B11R0.3 CCCCCCCSCCSC 62a_100000210614_100000751147 [1,1,0,0,0,0|2,0,0]=4 8939 B11R0.3 CCCCCCCSCCSC 62a_100000212216_100000210316 [1,1,0,0,0,0|2,0,0]=4 8940 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [1,1,0,0,0,0|0,0,1]=3 8941 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [1,1,0,0,0,0|0,0,1]=3 8942 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [1,1,0,0,0,0|1,0,1]=4 8943 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [1,1,0,0,0,0|1,0,1]=4 8944 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [1,1,0,0,0,0|0,0,1]=3 8945 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [1,1,0,0,0,0|0,0,1]=3 8946 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [1,1,0,0,0,0|0,0,1]=3 8947 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [1,1,0,0,0,0|0,1,1]=4 8948 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [1,1,0,0,0,0|0,1,1]=4 8949 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [1,1,0,0,0,0|1,0,1]=4 8950 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [1,1,0,0,0,0|1,0,1]=4 8951 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [1,1,0,0,0,0|1,0,1]=4 8952 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [1,1,0,0,0,0|1,0,1]=4 8953 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [1,1,0,0,0,0|0,0,1]=3 8954 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [1,1,0,0,0,0|0,0,1]=3 8955 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [1,1,0,0,0,0|0,0,1]=3 8956 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [1,1,0,0,0,0|0,0,1]=3 8957 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [1,1,0,0,0,0|0,0,1]=3 8958 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [1,1,0,0,0,0|0,0,1]=3 8959 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [1,1,0,0,0,0|1,0,1]=4 8960 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [1,1,0,0,0,0|1,0,1]=4 8961 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [1,1,0,0,0,0|0,1,1]=4 8962 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [1,1,0,0,0,0|0,1,1]=4 8963 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [1,1,0,0,0,0|0,1,1]=4 8964 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [1,1,0,0,0,0|0,1,1]=4 8965 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [1,1,0,0,0,0|1,0,1]=4 8966 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [1,1,0,0,0,0|1,0,1]=4 8967 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [1,1,0,0,0,0|0,0,1]=3 8968 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [1,1,0,0,0,0|0,0,1]=3 8969 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [1,1,0,0,0,0|0,1,1]=4 8970 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [1,1,0,0,0,0|0,1,1]=4 8971 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [1,1,0,0,0,0|0,0,1]=3 8972 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [1,1,0,0,0,0|0,0,1]=3 8973 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [1,1,0,0,0,0|0,0,1]=3 8974 B11R0.3 CCCCCNCCOCCC 2230a_100000209983_100011215938 [1,1,0,0,0,0|1,0,1]=4 8975 B11R0.3 CCCCCNCCOCCC 2230a_100161115042_100000210326 [1,1,0,0,0,0|1,0,1]=4 8976 B11R0.3 CCCCCNCCOCCC 34a_100000224656_100000210303 [1,1,0,0,0,0|1,0,1]=4 8977 B11R0.3 CCCCCNCCOCCC 34a_100161115042_100000718602 [1,1,0,0,0,0|1,0,1]=4 8978 B11R0.3 CCCCCNCCOCCF 34a_100000224656_100011217306 [1,1,0,0,0,0|1,0,1]=4 8979 B11R0.3 CCCCCNCCOCCO 2230a_100000209983_100011215305 [1,1,0,0,0,0|1,0,1]=4 8980 B11R0.3 CCCCCNCCOCCO 2230a_100000211614_100000210326 [1,1,0,0,0,0|1,0,1]=4 8981 B11R0.3 CCCCCNCCOCCO 34a_100000211614_100000718602 [1,1,0,0,0,0|1,0,1]=4 8982 B11R0.3 CCCCCNCCOCCO 34a_100000224656_100000211926 [1,1,0,0,0,0|1,0,1]=4 8983 B11R0.3 CCCCCNCCOCSC 34a_100000224656_100011218213 [1,1,0,0,0,0|1,0,1]=4 8984 B11R0.3 CCCCCNCCSCCC 2230a_100020603323_100000210326 [1,1,0,0,0,0|2,0,0]=4 8985 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [1,1,0,0,0,0|0,0,1]=3 8986 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [1,1,0,0,0,0|0,0,1]=3 8987 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [1,1,0,0,0,0|0,0,1]=3 8988 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [1,1,0,0,0,0|0,0,1]=3 8989 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [1,1,0,0,0,0|0,1,1]=4 8990 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [1,1,0,0,0,0|0,1,1]=4 8991 B11R0.3 CCCCCOCCOCCBr 34a_100000692535_100000718602 [1,1,0,0,0,0|1,0,1]=4 8992 B11R0.3 CCCCCOCCOCCBr 7a_100000692535_100000210326 [1,1,0,0,0,0|1,0,1]=4 8993 B11R0.3 CCCCCOCCOCCC 34a_100000210253_100011215938 [1,1,0,0,0,0|1,0,1]=4 8994 B11R0.3 CCCCCOCCOCCC 34a_100000752267_100000718602 [1,1,0,0,0,0|1,0,1]=4 8995 B11R0.3 CCCCCOCCOCCC 34a_100011215259_100000210303 [1,1,0,0,0,0|1,0,1]=4 8996 B11R0.3 CCCCCOCCOCCC 7a_100000210253_100011215938 [1,1,0,0,0,0|1,0,1]=4 8997 B11R0.3 CCCCCOCCOCCC 7a_100000752267_100000210326 [1,1,0,0,0,0|1,0,1]=4 8998 B11R0.3 CCCCCOCCOCCC 7a_100011215259_100000210303 [1,1,0,0,0,0|1,0,1]=4 8999 B11R0.3 CCCCCOCCOCCCl 34a_100011215305_100000718602 [1,1,0,0,0,0|1,0,1]=4 9000 B11R0.3 CCCCCOCCOCCCl 7a_100011215305_100000210326 [1,1,0,0,0,0|1,0,1]=4 9001 B11R0.3 CCCCCOCCOCCF 34a_100011215259_100011217306 [1,1,0,0,0,0|1,0,1]=4 9002 B11R0.3 CCCCCOCCOCCF 34a_200015357709_100000718602 [1,1,0,0,0,0|1,0,1]=4 9003 B11R0.3 CCCCCOCCOCCF 7a_100011215259_100011217306 [1,1,0,0,0,0|1,0,1]=4 9004 B11R0.3 CCCCCOCCOCCF 7a_200015357709_100000210326 [1,1,0,0,0,0|1,0,1]=4 9005 B11R0.3 CCCCCOCCOCCI 34a_100012149058_100000718602 [1,1,0,0,0,0|1,0,1]=4 9006 B11R0.3 CCCCCOCCOCCI 7a_100012149058_100000210326 [1,1,0,0,0,0|1,0,1]=4 9007 B11R0.3 CCCCCOCCOCCN 34a_100000211614_100000718602 [1,1,0,0,0,0|1,0,1]=4 9008 B11R0.3 CCCCCOCCOCCO 34a_100000210253_100000692535 [1,1,0,0,0,0|1,0,1]=4 9009 B11R0.3 CCCCCOCCOCCO 34a_100011215259_100000211926 [1,1,0,0,0,0|1,0,1]=4 9010 B11R0.3 CCCCCOCCOCCO 7a_100000210253_100011215305 [1,1,0,0,0,0|1,0,1]=4 9011 B11R0.3 CCCCCOCCOCCO 7a_100011215259_100000211926 [1,1,0,0,0,0|1,0,1]=4 9012 B11R0.3 CCCCCOCCOCSC 34a_100011215259_100011218213 [1,1,0,0,0,0|1,0,1]=4 9013 B11R0.3 CCCCCOCCSCCC 34a_200000230433_100000718602 [1,1,0,0,0,0|2,0,0]=4 9014 B11R0.3 CCCCCOCCSCCC 7a_200000230433_100000210326 [1,1,0,0,0,0|2,0,0]=4 9015 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [1,1,0,0,0,0|0,0,1]=3 9016 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [1,1,0,0,0,0|0,0,1]=3 9017 B11R0.3 CCCCCSCCOCCC 62a_100000210326_100011215938 [1,1,0,0,0,0|1,0,1]=4 9018 B11R0.3 CCCCCSCCOCCC 62a_100011215938_100000210326 [1,1,0,0,0,0|1,0,1]=4 9019 B11R0.3 CCCCCSCCOCCO 62a_100000210326_100011215305 [1,1,0,0,0,0|1,0,1]=4 9020 B11R0.3 CCCCCSCCOCCO 62a_100011215305_100000210326 [1,1,0,0,0,0|1,0,1]=4 9021 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [1,1,0,0,0,0|0,0,1]=3 9022 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [1,1,0,0,0,0|1,0,1]=4 9023 B11R0.3 CCCCNCCCOCCC 2230a_100011217757_100000210211 [1,1,0,0,0,0|1,0,1]=4 9024 B11R0.3 CCCCNCCCOCCC 34a_100011217757_100000210210 [1,1,0,0,0,0|1,0,1]=4 9025 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [1,1,0,0,0,0|0,0,1]=3 9026 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [1,1,0,0,0,0|0,0,1]=3 9027 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [1,1,0,0,0,0|1,0,1]=4 9028 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [1,1,0,0,0,0|1,0,1]=4 9029 B11R0.3 CCCCOCCCNCCC 2230a_200000211371_100000210303 [1,1,0,0,0,0|2,0,0]=4 9030 B11R0.3 CCCCOCCCNCCC 34a_200000211371_100000210303 [1,1,0,0,0,0|2,0,0]=4 9031 B11R0.3 CCCCOCCCOCCC 34a_200011215613_100000210303 [1,1,0,0,0,0|1,0,1]=4 9032 B11R0.3 CCCCOCCCOCCC 7a_200011215613_100000210303 [1,1,0,0,0,0|1,0,1]=4 9033 B11R0.3 CCCCOCCCOCCF 34a_200011215613_100011217306 [1,1,0,0,0,0|1,0,1]=4 9034 B11R0.3 CCCCOCCCOCCF 7a_200011215613_100011217306 [1,1,0,0,0,0|1,0,1]=4 9035 B11R0.3 CCCCOCCCOCCO 34a_200011215613_100000211926 [1,1,0,0,0,0|1,0,1]=4 9036 B11R0.3 CCCCOCCCOCCO 7a_200011215613_100000211926 [1,1,0,0,0,0|1,0,1]=4 9037 B11R0.3 CCCCOCCCOCSC 34a_200011215613_100011218213 [1,1,0,0,0,0|1,0,1]=4 9038 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [1,1,0,0,0,0|1,0,1]=4 9039 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [1,1,0,0,0,0|1,0,1]=4 9040 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [1,1,0,0,0,0|1,0,1]=4 9041 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [1,1,0,0,0,0|1,0,1]=4 9042 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [1,1,0,0,0,0|1,0,1]=4 9043 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [1,1,0,0,0,0|1,0,1]=4 9044 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [1,1,0,0,0,0|1,0,1]=4 9045 B11R0.3 CCCNCCCCCCCO 2230a_100011996573_100000210303 [1,1,0,0,0,0|2,0,0]=4 9046 B11R0.3 CCCNCCCCCCCO 34a_100011996573_100000210303 [1,1,0,0,0,0|2,0,0]=4 9047 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [1,1,0,0,0,0|1,0,1]=4 9048 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [1,1,0,0,0,0|1,0,1]=4 9049 B11R0.3 CCCOCCCCCCCBr 34a_100000760002_100000210303 [1,1,0,0,0,0|1,0,1]=4 9050 B11R0.3 CCCOCCCCCCCBr 7a_100000760002_100000210303 [1,1,0,0,0,0|1,0,1]=4 9051 B11R0.3 CCCOCCCCCCCN 34a_100011996573_100000210303 [1,1,0,0,0,0|1,0,1]=4 9052 B11R0.3 CCCOCCCCCCCO 34a_100000210258_100000760002 [1,1,0,0,0,0|1,0,1]=4 9053 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [1,1,0,0,0,0|1,0,1]=4 9054 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [1,1,0,0,0,0|1,0,1]=4 9055 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [1,1,0,0,0,0|1,0,1]=4 9056 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [1,1,0,0,0,0|1,0,1]=4 9057 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [1,1,0,0,0,0|1,0,1]=4 9058 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [1,1,0,0,0,0|1,0,1]=4 9059 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [1,1,0,0,0,0|1,0,1]=4 9060 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [1,1,0,0,0,0|1,0,1]=4 9061 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [1,1,0,0,0,0|1,0,1]=4 9062 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [1,1,0,0,0,0|1,0,1]=4 9063 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [1,1,0,0,0,0|1,0,1]=4 9064 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [1,1,0,0,0,0|1,0,1]=4 9065 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [1,1,0,0,0,0|1,0,1]=4 9066 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [1,1,0,0,0,0|1,0,1]=4 9067 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [1,1,0,0,0,0|1,0,1]=4 9068 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [1,1,0,0,0,0|1,0,1]=4 9069 B11R0.3 CCCSCCCCCCCO 62a_100000210303_100000760002 [1,1,0,0,0,0|2,0,0]=4 9070 B11R0.3 CCCSCCCCCCCO 62a_100000760002_100000210303 [1,1,0,0,0,0|2,0,0]=4 9071 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [1,1,0,0,0,0|2,0,0]=4 9072 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [1,1,0,0,0,0|2,0,0]=4 9073 B11R0.3 CCCSCCNCCOCC 2230a_100020603323_100011215890 [1,1,0,0,0,0|1,0,1]=4 9074 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [1,1,0,0,0,0|1,0,1]=4 9075 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [1,1,0,0,0,0|1,0,1]=4 9076 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [1,1,0,0,0,0|1,0,1]=4 9077 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [1,1,0,0,0,0|1,0,1]=4 9078 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [1,1,0,0,0,0|1,0,1]=4 9079 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [1,1,0,0,0,0|1,0,1]=4 9080 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [1,1,0,0,0,0|1,0,1]=4 9081 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [1,1,0,0,0,0|0,0,1]=3 9082 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [1,1,0,0,0,0|0,0,1]=3 9083 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [1,1,0,0,0,0|0,0,1]=3 9084 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [1,1,0,0,0,0|0,0,1]=3 9085 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [1,1,0,0,0,0|0,0,1]=3 9086 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [1,1,0,0,0,0|0,0,1]=3 9087 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [1,1,0,0,0,0|1,0,1]=4 9088 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [1,1,0,0,0,0|1,0,1]=4 9089 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [1,1,0,0,0,0|1,0,1]=4 9090 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [1,1,0,0,0,0|1,0,1]=4 9091 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 9092 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [1,1,0,0,0,0|1,0,1]=4 9093 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 9094 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [1,1,0,0,0,0|1,0,1]=4 9095 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [1,1,0,0,0,0|1,0,1]=4 9096 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [1,1,0,0,0,0|1,0,1]=4 9097 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [1,1,0,0,0,0|1,0,1]=4 9098 B11R0.3 CCOCCCNCCOCC 2230a_100000210961_100011215890 [1,1,0,0,0,0|1,0,1]=4 9099 B11R0.3 CCOCCCNCCOCC 2230a_102516460346_100012232248 [1,1,0,0,0,0|1,0,1]=4 9100 B11R0.3 CCOCCCNCCOCC 34a_100000210961_100000210147 [1,1,0,0,0,0|1,0,1]=4 9101 B11R0.3 CCOCCCNCCOCC 34a_102516460346_100012232248 [1,1,0,0,0,0|1,0,1]=4 9102 B11R0.3 CCOCCCNCCSCC 2230a_100000106463_100012232248 [1,1,0,0,0,0|1,0,1]=4 9103 B11R0.3 CCOCCCNCCSCC 2230a_100000210961_100000757381 [1,1,0,0,0,0|1,0,1]=4 9104 B11R0.3 CCOCCCNCCSCC 34a_100000210961_100000757381 [1,1,0,0,0,0|1,0,1]=4 9105 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [1,1,0,0,0,0|1,0,1]=4 9106 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 9107 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 9108 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [1,1,0,0,0,0|1,0,1]=4 9109 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [1,1,0,0,0,0|1,0,1]=4 9110 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [1,1,0,0,0,0|1,0,1]=4 9111 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [1,1,0,0,0,0|1,0,1]=4 9112 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [1,1,0,0,0,0|1,0,1]=4 9113 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [1,1,0,0,0,0|1,0,1]=4 9114 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [1,1,0,0,0,0|1,0,1]=4 9115 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [1,1,0,0,0,0|1,0,1]=4 9116 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [1,1,0,0,0,0|1,0,1]=4 9117 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [1,1,0,0,0,0|1,0,1]=4 9118 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [1,1,0,0,0,0|1,0,1]=4 9119 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [1,1,0,0,0,0|1,0,1]=4 9120 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [1,1,0,0,0,0|1,0,1]=4 9121 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [1,1,0,0,0,0|1,0,1]=4 9122 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [1,1,0,0,0,0|1,0,1]=4 9123 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [1,1,0,0,0,0|1,0,1]=4 9124 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [1,1,0,0,0,0|1,0,1]=4 9125 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [1,1,0,0,0,0|1,0,1]=4 9126 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [1,1,0,0,0,0|1,0,1]=4 9127 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [1,1,0,0,0,0|1,0,1]=4 9128 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [1,1,0,0,0,0|1,0,1]=4 9129 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [1,1,0,0,0,0|1,0,1]=4 9130 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [1,1,0,0,0,0|1,0,1]=4 9131 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [1,1,0,0,0,0|1,0,1]=4 9132 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [1,1,0,0,0,0|1,0,1]=4 9133 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [1,1,0,0,0,0|1,0,1]=4 9134 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [1,1,0,0,0,0|1,0,1]=4 9135 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [1,1,0,0,0,0|1,0,1]=4 9136 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [1,1,0,0,0,0|1,0,1]=4 9137 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [1,1,0,0,0,0|1,0,1]=4 9138 B11R0.3 CCOCCCSCCOCC 62a_100000210147_100012232248 [1,1,0,0,0,0|1,0,1]=4 9139 B11R0.3 CCOCCCSCCOCC 62a_100012232248_100011215890 [1,1,0,0,0,0|1,0,1]=4 9140 B11R0.3 CCOCCCSCCSCC 62a_100000757381_100012232248 [1,1,0,0,0,0|1,0,1]=4 9141 B11R0.3 CCOCCCSCCSCC 62a_100012232248_100000757381 [1,1,0,0,0,0|1,0,1]=4 9142 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [1,1,0,0,0,0|1,0,1]=4 9143 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [1,1,0,0,0,0|1,0,1]=4 9144 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [1,1,0,0,0,0|1,0,1]=4 9145 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [1,1,0,0,0,0|1,0,1]=4 9146 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [1,1,0,0,0,0|1,0,1]=4 9147 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [1,1,0,0,0,0|1,0,1]=4 9148 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [1,1,0,0,0,0|1,0,1]=4 9149 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [1,1,0,0,0,0|1,0,1]=4 9150 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [1,1,0,0,0,0|1,0,1]=4 9151 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [1,1,0,0,0,0|1,0,1]=4 9152 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [1,1,0,0,0,0|1,0,1]=4 9153 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [1,1,0,0,0,0|1,0,1]=4 9154 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [1,1,0,0,0,0|1,0,1]=4 9155 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [1,1,0,0,0,0|1,0,1]=4 9156 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [1,1,0,0,0,0|1,0,1]=4 9157 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [1,1,0,0,0,0|1,0,1]=4 9158 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [1,1,0,0,0,0|1,0,1]=4 9159 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [1,1,0,0,0,0|1,0,1]=4 9160 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [1,1,0,0,0,0|1,0,1]=4 9161 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [1,1,0,0,0,0|1,0,1]=4 9162 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [1,1,0,0,0,0|1,0,1]=4 9163 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [1,1,0,0,0,0|1,0,1]=4 9164 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [1,1,0,0,0,0|1,0,1]=4 9165 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [1,1,0,0,0,0|1,0,1]=4 9166 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [1,1,0,0,0,0|1,0,1]=4 9167 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [1,1,0,0,0,0|1,0,1]=4 9168 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [1,1,0,0,0,0|1,0,1]=4 9169 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [1,1,0,0,0,0|1,0,1]=4 9170 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [1,1,0,0,0,0|1,0,1]=4 9171 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [1,1,0,0,0,0|1,0,1]=4 9172 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [1,1,0,0,0,0|1,0,1]=4 9173 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [1,1,0,0,0,0|1,0,1]=4 9174 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [1,1,0,0,0,0|1,0,1]=4 9175 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [1,1,0,0,0,0|1,0,1]=4 9176 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [1,1,0,0,0,0|1,0,1]=4 9177 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [1,1,0,0,0,0|1,0,1]=4 9178 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [1,1,0,0,0,0|0,1,1]=4 9179 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [1,1,0,0,0,0|0,1,1]=4 9180 B11R0.3 COCCCCCCOCCBr 34a_100000211926_100011998445 [1,1,0,0,0,0|1,0,1]=4 9181 B11R0.3 COCCCCCCOCCF 34a_200012092642_100011217306 [1,1,0,0,0,0|1,0,1]=4 9182 B11R0.3 COCCCCCCOCCF 7a_200012092642_100011217306 [1,1,0,0,0,0|1,0,1]=4 9183 B11R0.3 COCCCCCCOCCN 34a_100000210304_100011998445 [1,1,0,0,0,0|1,0,1]=4 9184 B11R0.3 COCCCCCCOCCO 34a_200012092642_100000211926 [1,1,0,0,0,0|1,0,1]=4 9185 B11R0.3 COCCCCCCOCCO 7a_200012092642_100000211926 [1,1,0,0,0,0|1,0,1]=4 9186 B11R0.3 COCCCCCCOCSC 34a_200012092642_100011218213 [1,1,0,0,0,0|1,0,1]=4 9187 B11R0.3 CSCOCCCCCCCBr 34a_100000760002_100011218213 [1,1,0,0,0,0|1,0,1]=4 9188 B11R0.3 CSCOCCCCCCCN 34a_100011996573_100011218213 [1,1,0,0,0,0|1,0,1]=4 9189 B11R0.3 FCCOCCCCCCCBr 34a_100000760002_100011217306 [1,1,0,0,0,0|1,0,1]=4 9190 B11R0.3 FCCOCCCCCCCBr 7a_100000760002_100011217306 [1,1,0,0,0,0|1,0,1]=4 9191 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [1,1,0,0,0,0|1,0,1]=4 9192 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [1,1,0,0,0,0|1,0,1]=4 9193 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [1,1,0,0,0,0|1,0,1]=4 9194 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [1,1,0,0,0,0|1,0,1]=4 9195 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [1,1,0,0,0,0|1,0,1]=4 9196 B11R0.3 NCCCCCCCOCCF 34a_100011996573_100011217306 [1,1,0,0,0,0|1,0,1]=4 9197 B11R0.3 NCCCCCCCOCCO 34a_100011996573_100000211926 [1,1,0,0,0,0|1,0,1]=4 9198 B11R0.3 NCCOCCCCCCCO 34a_100000210304_100000760002 [1,1,0,0,0,0|1,0,1]=4 9199 B11R0.3 OCCCCCCCOCCBr 34a_100000211926_100000760002 [1,1,0,0,0,0|1,0,1]=4 9200 B11R0.3 OCCOCCCCCCCBr 34a_100000760002_100000211926 [1,1,0,0,0,0|1,0,1]=4 9201 B11R0.3 OCCOCCCCCCCBr 7a_100000760002_100000211926 [1,1,0,0,0,0|1,0,1]=4 9202 B11R0.40 CC/C=C/CCCOC(C)CC 34a_100016287902_100011215416 [1,1,0,0,0,0|2,0,0]=4 9203 B11R0.40 CC/C=C/CCCOC(C)CC 7a_100016287902_100000758301 [1,1,0,0,0,0|2,0,0]=4 9204 B11R0.40 CC/C=C\CCNCC(C)CC 2230a_100020588543_100015370543 [1,1,0,0,0,0|2,0,0]=4 9205 B11R0.40 CC/C=C\CCNCC(O)CC 2230a_100011218483_100015370543 [1,1,0,0,0,0|2,0,0]=4 9206 B11R0.40 CC/C=C\CCOCC(C)CC 34a_100016288707_100000748023 [1,1,0,0,0,0|2,0,0]=4 9207 B11R0.40 CC/C=C\CCOCC(C)CC 7a_100016288707_100000748023 [1,1,0,0,0,0|2,0,0]=4 9208 B11R0.40 CC/C=C\CCOCC(O)CC 34a_100016288707_100011218378 [1,1,0,0,0,0|2,0,0]=4 9209 B11R0.40 CC/C=C\CCOCC(O)CC 7a_100016288707_100011218378 [1,1,0,0,0,0|2,0,0]=4 9210 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 34a_100016288707_100009816398 [1,1,0,0,0,0|2,0,0]=4 9211 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100009816381_100015370543 [1,1,0,0,0,0|2,0,0]=4 9212 B11R0.40 CC/C=C\CCOC[C@@H](C)CC 7a_100016288707_100009816398 [1,1,0,0,0,0|2,0,0]=4 9213 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100000748023_100015370543 [1,1,0,0,0,0|2,0,0]=4 9214 B11R0.40 CC/C=C\CCSCC(C)CC 62a_100015370543_100000748023 [1,1,0,0,0,0|2,0,0]=4 9215 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100011218378_100015370543 [1,1,0,0,0,0|2,0,0]=4 9216 B11R0.40 CC/C=C\CCSCC(O)CC 62a_100015370543_100011218378 [1,1,0,0,0,0|2,0,0]=4 9217 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100009816398_100015370543 [1,1,0,0,0,0|2,0,0]=4 9218 B11R0.40 CC/C=C\CCSC[C@@H](C)CC 62a_100015370543_100009816398 [1,1,0,0,0,0|2,0,0]=4 9219 B11R0.40 CC/C=C\CNCCC(C)CC 2230a_100020591266_100103147603 [1,1,0,0,0,0|2,0,0]=4 9220 B11R0.40 CC/C=C\COCCC(C)CC 7a_100011215188_100103147603 [1,1,0,0,0,0|2,0,0]=4 9221 B11R0.40 CCC(C)CCCCCOCF 7a_200000035636_100015361967 [1,1,0,0,0,0|1,0,1]=4 9222 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [1,1,0,0,0,0|1,0,1]=4 9223 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [1,1,0,0,0,0|1,0,1]=4 9224 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [1,1,0,0,0,0|1,0,1]=4 9225 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [1,1,0,0,0,0|1,0,1]=4 9226 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [1,1,0,0,0,0|1,0,1]=4 9227 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [1,1,0,0,0,0|1,0,1]=4 9228 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [1,1,0,0,0,0|1,0,1]=4 9229 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 9230 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 9231 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 9232 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [1,1,0,0,0,0|2,0,0]=4 9233 B11R0.40 CCCCCCCNC(C)CC 2230a_100000209981_100000210681 [1,1,0,0,0,0|2,0,0]=4 9234 B11R0.40 CCCCCCCNC(C)CC 2230a_100000229938_100000758301 [1,1,0,0,0,0|2,0,0]=4 9235 B11R0.40 CCCCCCCOC(C)CC 34a_100000210272_100011215416 [1,1,0,0,0,0|2,0,0]=4 9236 B11R0.40 CCCCCCCOC(C)CC 7a_100000210228_100000210614 [1,1,0,0,0,0|2,0,0]=4 9237 B11R0.40 CCCCCCCOC(C)CC 7a_100000210272_100000758301 [1,1,0,0,0,0|2,0,0]=4 9238 B11R0.40 CCCCCCCSC(C)CC 62a_100000210614_100000758301 [1,1,0,0,0,0|2,0,0]=4 9239 B11R0.40 CCCCCCCSC(C)CC 62a_100000758301_100000210316 [1,1,0,0,0,0|2,0,0]=4 9240 B11R0.40 CCOCCCCCC(C)CC 7a_200000035636_100000210202 [1,1,0,0,0,0|0,0,1]=3 9241 B11R0.40 CCOCCCNCC(C)CC 2230a_100000210961_100000748023 [1,1,0,0,0,0|1,0,1]=4 9242 B11R0.40 CCOCCCNCC(C)CC 2230a_100020588543_100012232248 [1,1,0,0,0,0|1,0,1]=4 9243 B11R0.40 CCOCCCNCC(C)CC 270004a_100000210961_100000243153 [1,1,0,0,0,0|1,0,1]=4 9244 B11R0.40 CCOCCCNCC(C)CC 34a_100000210961_100000748023 [1,1,0,0,0,0|1,0,1]=4 9245 B11R0.40 CCOCCCNCC(O)CC 2230a_100000210961_100011218378 [1,1,0,0,0,0|1,0,1]=4 9246 B11R0.40 CCOCCCNCC(O)CC 2230a_100011218483_100012232248 [1,1,0,0,0,0|1,0,1]=4 9247 B11R0.40 CCOCCCNCC(O)CC 34a_100000210961_100011218378 [1,1,0,0,0,0|1,0,1]=4 9248 B11R0.40 CCOCCCNC[C@@H](C)CC 2230a_100000210961_100009816398 [1,1,0,0,0,0|1,0,1]=4 9249 B11R0.40 CCOCCCNC[C@@H](C)CC 34a_100000210961_100009816398 [1,1,0,0,0,0|1,0,1]=4 9250 B11R0.40 CCOCCCOCC(C)CC 34a_100000757476_100000748023 [1,1,0,0,0,0|1,0,1]=4 9251 B11R0.40 CCOCCCOCC(C)CC 7a_100000757476_100000748023 [1,1,0,0,0,0|1,0,1]=4 9252 B11R0.40 CCOCCCOCC(O)CC 34a_100000757476_100011218378 [1,1,0,0,0,0|1,0,1]=4 9253 B11R0.40 CCOCCCOCC(O)CC 7a_100000757476_100011218378 [1,1,0,0,0,0|1,0,1]=4 9254 B11R0.40 CCOCCCOC[C@@H](C)CC 34a_100000757476_100009816398 [1,1,0,0,0,0|1,0,1]=4 9255 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100000757476_100009816398 [1,1,0,0,0,0|1,0,1]=4 9256 B11R0.40 CCOCCCOC[C@@H](C)CC 7a_100009816381_100012232248 [1,1,0,0,0,0|1,0,1]=4 9257 B11R0.40 CCOCCCSCC(C)CC 62a_100000748023_100012232248 [1,1,0,0,0,0|1,0,1]=4 9258 B11R0.40 CCOCCCSCC(C)CC 62a_100012232248_100000748023 [1,1,0,0,0,0|1,0,1]=4 9259 B11R0.40 CCOCCCSCC(O)CC 62a_100011218378_100012232248 [1,1,0,0,0,0|1,0,1]=4 9260 B11R0.40 CCOCCCSCC(O)CC 62a_100012232248_100011218378 [1,1,0,0,0,0|1,0,1]=4 9261 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100009816398_100012232248 [1,1,0,0,0,0|1,0,1]=4 9262 B11R0.40 CCOCCCSC[C@@H](C)CC 62a_100012232248_100009816398 [1,1,0,0,0,0|1,0,1]=4 9263 B11R0.40 CCOCCNCCC(C)CC 2230a_100020591266_100011215890 [1,1,0,0,0,0|1,0,1]=4 9264 B11R0.40 CCOCCOCCC(C)CC 7a_100011215188_100011215890 [1,1,0,0,0,0|1,0,1]=4 9265 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [1,1,0,0,0,0|1,0,1]=4 9266 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [1,1,0,0,0,0|1,0,1]=4 9267 B11R0.140 CC/C=C\CN(C)CCCCC 2230a_100000223495_100103147603 [1,1,0,0,0,0|2,0,0]=4 9268 B11R0.140 CC/C=C\CN(C)CCCCC 269982a_100000223495_100103147603 [1,1,0,0,0,0|2,0,0]=4 9269 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [1,1,0,0,0,0|0,0,2]=4 9270 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [1,1,0,0,0,0|0,0,2]=4 9271 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [1,1,0,0,0,0|0,0,2]=4 9272 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [1,1,0,0,0,0|1,0,1]=4 9273 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [1,1,0,0,0,0|1,0,1]=4 9274 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [1,1,0,0,0,0|1,0,1]=4 9275 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [1,1,0,0,0,0|1,0,1]=4 9276 B11R0.140 CCCCNC(C)CCOCC 270004a_100000102301_200011216536 [1,1,0,0,0,0|1,0,1]=4 9277 B11R0.148 CC(C)OCCCCCCCBr 34a_100000760002_100000210206 [1,1,0,0,0,0|1,0,1]=4 9278 B11R0.148 CC(C)OCCCCCCCBr 7a_100000760002_100000210206 [1,1,0,0,0,0|1,0,1]=4 9279 B11R0.148 CC(C)OCCCCCCCN 34a_100011996573_100000210206 [1,1,0,0,0,0|1,0,1]=4 9280 B11R0.148 CC(C)OCCCCCCCO 34a_100000212225_100000760002 [1,1,0,0,0,0|1,0,1]=4 9281 B11R0.148 CC/C=C/CCCOCC(C)C 34a_100016287902_100000210624 [1,1,0,0,0,0|2,0,0]=4 9282 B11R0.148 CC/C=C/CCCOCC(C)C 7a_100016287902_100000210760 [1,1,0,0,0,0|2,0,0]=4 9283 B11R0.148 CC/C=C/CCCOCC(C)O 34a_100016287902_100011218427 [1,1,0,0,0,0|2,0,0]=4 9284 B11R0.148 CC/C=C/CCCOCC(C)O 7a_100016287902_100011218427 [1,1,0,0,0,0|2,0,0]=4 9285 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 34a_100016287902_100009817552 [1,1,0,0,0,0|2,0,0]=4 9286 B11R0.148 CC/C=C/CCCOC[C@@H](C)O 7a_100016287902_100009817552 [1,1,0,0,0,0|2,0,0]=4 9287 B11R0.148 CC/C=C\CCCCOC(C)C 34a_100016287862_100000210206 [1,1,0,0,0,0|2,0,0]=4 9288 B11R0.148 CC/C=C\CCCCOC(C)C 7a_100016287862_100000210206 [1,1,0,0,0,0|2,0,0]=4 9289 B11R0.148 CC/C=C\CCNCCC(C)O 2230a_200000755665_100015370543 [1,1,0,0,0,0|2,0,0]=4 9290 B11R0.148 CC/C=C\CCOCCC(C)Br 34a_100009893172_100015370543 [1,1,0,0,0,0|2,0,0]=4 9291 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100000210254_100015370543 [1,1,0,0,0,0|2,0,0]=4 9292 B11R0.148 CC/C=C\CCOCCC(C)C 34a_100016288707_100000210312 [1,1,0,0,0,0|2,0,0]=4 9293 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100000210254_100015370543 [1,1,0,0,0,0|2,0,0]=4 9294 B11R0.148 CC/C=C\CCOCCC(C)C 7a_100016288707_100000210626 [1,1,0,0,0,0|2,0,0]=4 9295 B11R0.148 CC/C=C\CCOCCC(C)O 34a_100016288707_100012276601 [1,1,0,0,0,0|2,0,0]=4 9296 B11R0.148 CC/C=C\CCOCCC(C)O 7a_100016288707_100012276601 [1,1,0,0,0,0|2,0,0]=4 9297 B11R0.148 CC/C=C\CCOCC[C@@H](C)N 34a_100000706166_100015370543 [1,1,0,0,0,0|2,0,0]=4 9298 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100000210312_100015370543 [1,1,0,0,0,0|2,0,0]=4 9299 B11R0.148 CC/C=C\CCSCCC(C)C 62a_100015370543_100000210312 [1,1,0,0,0,0|2,0,0]=4 9300 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100012276601_100015370543 [1,1,0,0,0,0|2,0,0]=4 9301 B11R0.148 CC/C=C\CCSCCC(C)O 62a_100015370543_100012276601 [1,1,0,0,0,0|2,0,0]=4 9302 B11R0.148 CC/C=C\CNCCCC(C)C 2230a_200000737386_100103147603 [1,1,0,0,0,0|2,0,0]=4 9303 B11R0.148 CC/C=C\CNCCCC(C)C 34a_200000737386_100103147603 [1,1,0,0,0,0|2,0,0]=4 9304 B11R0.148 CC/C=C\COCCCC(C)C 34a_100000210774_100103147603 [1,1,0,0,0,0|2,0,0]=4 9305 B11R0.148 CC/C=C\COCCCC(C)C 34a_100016268518_100011214892 [1,1,0,0,0,0|2,0,0]=4 9306 B11R0.148 CC/C=C\COCCCC(C)C 7a_100000210774_100103147603 [1,1,0,0,0,0|2,0,0]=4 9307 B11R0.148 CC/C=C\COCCCC(C)O 34a_100016268518_200000718107 [1,1,0,0,0,0|2,0,0]=4 9308 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100011214892_100103147603 [1,1,0,0,0,0|2,0,0]=4 9309 B11R0.148 CC/C=C\CSCCCC(C)C 62a_100103147603_100011214892 [1,1,0,0,0,0|2,0,0]=4 9310 B11R0.148 CC/C=C\CSCCCC(C)O 62a_100103147603_200000718107 [1,1,0,0,0,0|2,0,0]=4 9311 B11R0.148 CC/C=C\CSCCCC(C)O 62a_200000718107_100103147603 [1,1,0,0,0,0|2,0,0]=4 9312 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [1,1,0,0,0,0|1,0,1]=4 9313 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [1,1,0,0,0,0|1,0,1]=4 9314 B11R0.148 CCCCCCCCNC(C)C 2230a_100000229939_100000210206 [1,1,0,0,0,0|1,0,1]=4 9315 B11R0.148 CCCCCCCCNC(C)C 2230a_100138425928_100000210759 [1,1,0,0,0,0|1,0,1]=4 9316 B11R0.148 CCCCCCCCNC(C)C 34a_100000229939_100000210206 [1,1,0,0,0,0|1,0,1]=4 9317 B11R0.148 CCCCCCCCNC(C)C 34a_100138425928_100000210759 [1,1,0,0,0,0|1,0,1]=4 9318 B11R0.148 CCCCCCCCOC(C)C 34a_100000210232_100000210206 [1,1,0,0,0,0|0,0,1]=3 9319 B11R0.148 CCCCCCCCOC(C)C 34a_100000212225_100000210759 [1,1,0,0,0,0|0,0,1]=3 9320 B11R0.148 CCCCCCCCOC(C)C 7a_100000210232_100000210206 [1,1,0,0,0,0|0,0,1]=3 9321 B11R0.148 CCCCCCCCSC(C)C 62a_100000210206_100000210317 [1,1,0,0,0,0|0,1,1]=4 9322 B11R0.148 CCCCCCCCSC(C)C 62a_100000210759_100000210206 [1,1,0,0,0,0|0,1,1]=4 9323 B11R0.148 CCCCCCCNCC(C)C 2230a_100000210953_100000210681 [1,1,0,0,0,0|2,0,0]=4 9324 B11R0.148 CCCCCCCNCC(C)C 2230a_100000229938_100000210760 [1,1,0,0,0,0|2,0,0]=4 9325 B11R0.148 CCCCCCCNCC(C)C 270004a_100000229938_100000210432 [1,1,0,0,0,0|2,0,0]=4 9326 B11R0.148 CCCCCCCNCC(C)C 34a_100000210953_100000210614 [1,1,0,0,0,0|2,0,0]=4 9327 B11R0.148 CCCCCCCNCC(C)O 2230a_100000210904_100000210681 [1,1,0,0,0,0|2,0,0]=4 9328 B11R0.148 CCCCCCCNCC(C)O 2230a_100000229938_100011218427 [1,1,0,0,0,0|2,0,0]=4 9329 B11R0.148 CCCCCCCNCC(C)O 34a_100000210904_100000210614 [1,1,0,0,0,0|2,0,0]=4 9330 B11R0.148 CCCCCCCNC[C@@H](C)O 2230a_100000229938_100009817552 [1,1,0,0,0,0|2,0,0]=4 9331 B11R0.148 CCCCCCCOCC(C)Br 34a_100012180447_100000210614 [1,1,0,0,0,0|2,0,0]=4 9332 B11R0.148 CCCCCCCOCC(C)C 34a_100000210257_100000210614 [1,1,0,0,0,0|2,0,0]=4 9333 B11R0.148 CCCCCCCOCC(C)C 34a_100000210272_100000210624 [1,1,0,0,0,0|2,0,0]=4 9334 B11R0.148 CCCCCCCOCC(C)C 7a_100000210272_100000210760 [1,1,0,0,0,0|2,0,0]=4 9335 B11R0.148 CCCCCCCOCC(C)F 34a_100015925927_100000210614 [1,1,0,0,0,0|2,0,0]=4 9336 B11R0.148 CCCCCCCOCC(C)O 34a_100000210272_100011218427 [1,1,0,0,0,0|2,0,0]=4 9337 B11R0.148 CCCCCCCOCC(C)O 7a_100000210272_100011218427 [1,1,0,0,0,0|2,0,0]=4 9338 B11R0.148 CCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210614 [1,1,0,0,0,0|2,0,0]=4 9339 B11R0.148 CCCCCCCOC[C@@H](C)N 34a_100000737577_100000210614 [1,1,0,0,0,0|2,0,0]=4 9340 B11R0.148 CCCCCCCOC[C@@H](C)O 34a_100000210272_100009817552 [1,1,0,0,0,0|2,0,0]=4 9341 B11R0.148 CCCCCCCOC[C@@H](C)O 7a_100000210272_100009817552 [1,1,0,0,0,0|2,0,0]=4 9342 B11R0.148 CCCCCCCSCC(C)C 62a_100000210614_100000210760 [1,1,0,0,0,0|2,0,0]=4 9343 B11R0.148 CCCCCCCSCC(C)C 62a_100000210624_100000210316 [1,1,0,0,0,0|2,0,0]=4 9344 B11R0.148 CCCCCCCSCC(C)O 62a_100000210614_100011218427 [1,1,0,0,0,0|2,0,0]=4 9345 B11R0.148 CCCCCCCSCC(C)O 62a_100011218427_100000210316 [1,1,0,0,0,0|2,0,0]=4 9346 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100000210614_100009817552 [1,1,0,0,0,0|2,0,0]=4 9347 B11R0.148 CCCCCCCSC[C@@H](C)O 62a_100009817552_100000210316 [1,1,0,0,0,0|2,0,0]=4 9348 B11R0.148 CCCCCCNCOC(C)C 2230a_100000210581_100000709892 [1,1,0,0,0,0|1,0,1]=4 9349 B11R0.148 CCCCCCOCOC(C)C 34a_100000210259_100000709892 [1,1,0,0,0,0|1,0,1]=4 9350 B11R0.148 CCCCCCSCOC(C)C 62a_100000210314_100000709892 [1,1,0,0,0,0|1,0,1]=4 9351 B11R0.148 CCCCCCSCOC(C)C 62a_100000709892_100000210757 [1,1,0,0,0,0|1,0,1]=4 9352 B11R0.148 CCCCCNCCOC(C)C 2230a_100000209983_100000211751 [1,1,0,0,0,0|1,0,1]=4 9353 B11R0.148 CCCCCNCCOC(C)C 2230a_100000701111_100000210326 [1,1,0,0,0,0|1,0,1]=4 9354 B11R0.148 CCCCCNCCOC(C)C 34a_100000224656_100000210206 [1,1,0,0,0,0|1,0,1]=4 9355 B11R0.148 CCCCCNCCOC(C)C 34a_100000701111_100000718602 [1,1,0,0,0,0|1,0,1]=4 9356 B11R0.148 CCCCCOCCOC(C)C 34a_100000210253_100000211751 [1,1,0,0,0,0|1,0,1]=4 9357 B11R0.148 CCCCCOCCOC(C)C 34a_100000211219_100000718602 [1,1,0,0,0,0|1,0,1]=4 9358 B11R0.148 CCCCCOCCOC(C)C 34a_100011215259_100000210206 [1,1,0,0,0,0|1,0,1]=4 9359 B11R0.148 CCCCCOCCOC(C)C 7a_100000210253_100000211751 [1,1,0,0,0,0|1,0,1]=4 9360 B11R0.148 CCCCCOCCOC(C)C 7a_100000211219_100000210326 [1,1,0,0,0,0|1,0,1]=4 9361 B11R0.148 CCCCCOCCOC(C)C 7a_100011215259_100000210206 [1,1,0,0,0,0|1,0,1]=4 9362 B11R0.148 CCCCCSCCOC(C)C 62a_100000210326_100000211751 [1,1,0,0,0,0|1,0,1]=4 9363 B11R0.148 CCCCCSCCOC(C)C 62a_100000211751_100000210326 [1,1,0,0,0,0|1,0,1]=4 9364 B11R0.148 CCCCNCCCOC(C)C 2230a_100000737246_100000210211 [1,1,0,0,0,0|1,0,1]=4 9365 B11R0.148 CCCCNCCCOC(C)C 34a_100000737246_100000210210 [1,1,0,0,0,0|1,0,1]=4 9366 B11R0.148 CCCCOCCCOC(C)C 34a_200011215613_100000210206 [1,1,0,0,0,0|1,0,1]=4 9367 B11R0.148 CCCCOCCCOC(C)C 7a_200011215613_100000210206 [1,1,0,0,0,0|1,0,1]=4 9368 B11R0.148 CCCNCCCCCC(C)C 2230a_100011290863_100000210303 [1,1,0,0,0,0|2,0,0]=4 9369 B11R0.148 CCCNCCCCCC(C)C 34a_100011290863_100000210303 [1,1,0,0,0,0|2,0,0]=4 9370 B11R0.148 CCCOCCCCCC(C)C 34a_100000210258_100000210682 [1,1,0,0,0,0|2,0,0]=4 9371 B11R0.148 CCCOCCCCCC(C)C 34a_100011995859_100000210303 [1,1,0,0,0,0|2,0,0]=4 9372 B11R0.148 CCCOCCCCCC(C)C 7a_100011995859_100000210303 [1,1,0,0,0,0|2,0,0]=4 9373 B11R0.148 CCCSCCCCCC(C)C 62a_100000210303_100000210682 [1,1,0,0,0,0|2,0,0]=4 9374 B11R0.148 CCCSCCCCCC(C)C 62a_100000210682_100000210303 [1,1,0,0,0,0|2,0,0]=4 9375 B11R0.148 CCNCCCCCCC(C)C 2230a_100000211014_100000210202 [1,1,0,0,0,0|1,0,1]=4 9376 B11R0.148 CCNCCCCCCC(C)C 34a_100000211014_100000210202 [1,1,0,0,0,0|1,0,1]=4 9377 B11R0.148 CCOCCCCCNC(C)C 34a_100011629493_100000210202 [1,1,0,0,0,0|1,0,1]=4 9378 B11R0.148 CCOCCCNCCC(C)C 2230a_100000210961_100000210312 [1,1,0,0,0,0|1,0,1]=4 9379 B11R0.148 CCOCCCNCCC(C)C 269862a_100000210961_100000185833 [1,1,0,0,0,0|1,0,1]=4 9380 B11R0.148 CCOCCCNCCC(C)C 34a_100000210961_100000210312 [1,1,0,0,0,0|1,0,1]=4 9381 B11R0.148 CCOCCCNCCC(C)O 2230a_100000210961_100012276601 [1,1,0,0,0,0|1,0,1]=4 9382 B11R0.148 CCOCCCNCCC(C)O 2230a_200000755665_100012232248 [1,1,0,0,0,0|1,0,1]=4 9383 B11R0.148 CCOCCCNCCC(C)O 34a_100000210961_100012276601 [1,1,0,0,0,0|1,0,1]=4 9384 B11R0.148 CCOCCCOCCC(C)Br 34a_100009893172_100012232248 [1,1,0,0,0,0|1,0,1]=4 9385 B11R0.148 CCOCCCOCCC(C)C 34a_100000210254_100012232248 [1,1,0,0,0,0|1,0,1]=4 9386 B11R0.148 CCOCCCOCCC(C)C 34a_100000757476_100000210312 [1,1,0,0,0,0|1,0,1]=4 9387 B11R0.148 CCOCCCOCCC(C)C 7a_100000210254_100012232248 [1,1,0,0,0,0|1,0,1]=4 9388 B11R0.148 CCOCCCOCCC(C)C 7a_100000757476_100000210626 [1,1,0,0,0,0|1,0,1]=4 9389 B11R0.148 CCOCCCOCCC(C)O 34a_100000757476_100012276601 [1,1,0,0,0,0|1,0,1]=4 9390 B11R0.148 CCOCCCOCCC(C)O 7a_100000757476_100012276601 [1,1,0,0,0,0|1,0,1]=4 9391 B11R0.148 CCOCCCOCC[C@@H](C)N 34a_100000706166_100012232248 [1,1,0,0,0,0|1,0,1]=4 9392 B11R0.148 CCOCCCSCCC(C)C 62a_100000210312_100012232248 [1,1,0,0,0,0|1,0,1]=4 9393 B11R0.148 CCOCCCSCCC(C)C 62a_100012232248_100000210312 [1,1,0,0,0,0|1,0,1]=4 9394 B11R0.148 CCOCCCSCCC(C)O 62a_100012232248_100012276601 [1,1,0,0,0,0|1,0,1]=4 9395 B11R0.148 CCOCCCSCCC(C)O 62a_100012276601_100012232248 [1,1,0,0,0,0|1,0,1]=4 9396 B11R0.148 CCOCCNCCCC(C)C 2230a_102516460346_100011214892 [1,1,0,0,0,0|1,0,1]=4 9397 B11R0.148 CCOCCNCCCC(C)C 2230a_200000737386_100011215890 [1,1,0,0,0,0|1,0,1]=4 9398 B11R0.148 CCOCCNCCCC(C)C 34a_102516460346_100011214892 [1,1,0,0,0,0|1,0,1]=4 9399 B11R0.148 CCOCCNCCCC(C)C 34a_200000737386_100000210147 [1,1,0,0,0,0|1,0,1]=4 9400 B11R0.148 CCOCCNCCCC(C)O 2230a_102516460346_200000718107 [1,1,0,0,0,0|1,0,1]=4 9401 B11R0.148 CCOCCNCCCC(C)O 34a_102516460346_200000718107 [1,1,0,0,0,0|1,0,1]=4 9402 B11R0.148 CCOCCOCCCC(C)C 34a_100000210136_100011214892 [1,1,0,0,0,0|1,0,1]=4 9403 B11R0.148 CCOCCOCCCC(C)C 34a_100000210774_100000210147 [1,1,0,0,0,0|1,0,1]=4 9404 B11R0.148 CCOCCOCCCC(C)C 7a_100000210136_100011214892 [1,1,0,0,0,0|1,0,1]=4 9405 B11R0.148 CCOCCOCCCC(C)C 7a_100000210774_100011215890 [1,1,0,0,0,0|1,0,1]=4 9406 B11R0.148 CCOCCOCCCC(C)O 34a_100000210136_200000718107 [1,1,0,0,0,0|1,0,1]=4 9407 B11R0.148 CCOCCOCCCC(C)O 7a_100000210136_200000718107 [1,1,0,0,0,0|1,0,1]=4 9408 B11R0.148 CCOCCSCCCC(C)C 62a_100000210147_100011214892 [1,1,0,0,0,0|1,0,1]=4 9409 B11R0.148 CCOCCSCCCC(C)C 62a_100011214892_100011215890 [1,1,0,0,0,0|1,0,1]=4 9410 B11R0.148 CCOCCSCCCC(C)O 62a_100000210147_200000718107 [1,1,0,0,0,0|1,0,1]=4 9411 B11R0.148 CCOCCSCCCC(C)O 62a_200000718107_100011215890 [1,1,0,0,0,0|1,0,1]=4 9412 B11R0.148 CCOCSCCCCC(C)C 62a_100000739092_100011216152 [1,1,0,0,0,0|1,0,1]=4 9413 B11R0.148 CCOCSCCCCC(C)C 62a_100011216152_100000739092 [1,1,0,0,0,0|1,0,1]=4 9414 B11R0.148 COCCCCCCOC(C)C 34a_100000212225_100011998445 [1,1,0,0,0,0|1,0,1]=4 9415 B11R0.148 COCCCCCCOC(C)C 34a_200012092642_100000210206 [1,1,0,0,0,0|1,0,1]=4 9416 B11R0.148 COCCCCCCOC(C)C 7a_200012092642_100000210206 [1,1,0,0,0,0|1,0,1]=4 9417 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000210198_100012094781 [1,1,0,0,0,0|0,0,2]=4 9418 B11R0.42 C#CCCCCCC(=O)C(C)C 1458a_100000694772_100000210206 [1,1,0,0,0,0|0,0,2]=4 9419 B11R0.42 C#CCCCCCC(=O)C(C)F 1458a_100000062450_100012094781 [1,1,0,0,0,0|0,0,2]=4 9420 B11R0.42 C#CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012094781 [1,1,0,0,0,0|0,0,2]=4 9421 B11R0.42 C#CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012094781 [1,1,0,0,0,0|0,0,2]=4 9422 B11R0.42 C=C(C)C(=O)CCCCCCC 1458a_100000185857_100000210614 [1,1,0,0,0,0|0,0,1]=3 9423 B11R0.42 C=C(C)C(=O)CCCCCCF 1458a_100000185857_100015922095 [1,1,0,0,0,0|1,0,1]=4 9424 B11R0.42 C=C(C)C(=O)CCCCCCO 1458a_100000185857_100000766143 [1,1,0,0,0,0|1,0,1]=4 9425 B11R0.42 C=C(C)C(=O)CCOCCCC 1458a_100000185857_100000743108 [1,1,0,0,0,0|1,0,1]=4 9426 B11R0.42 C=C(C)C(=O)NCCCCCC 11a_100000210581_100000185857 [1,1,0,0,0,0|1,0,1]=4 9427 B11R0.42 C=C(C)C(=O)NCCCCCC 1626a_100000210581_100000185857 [1,1,0,0,0,0|1,0,1]=4 9428 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100000210198_100000700193 [1,1,0,0,0,0|0,0,2]=4 9429 B11R0.42 C=CCCCCCC(=O)C(C)C 1458a_100011934241_100000210206 [1,1,0,0,0,0|0,0,2]=4 9430 B11R0.42 C=CCCCCCC(=O)C(C)F 1458a_100000062450_100000700193 [1,1,0,0,0,0|0,0,2]=4 9431 B11R0.42 C=CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000700193 [1,1,0,0,0,0|0,0,2]=4 9432 B11R0.42 C=CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000700193 [1,1,0,0,0,0|0,0,2]=4 9433 B11R0.42 CC(C)C(=O)CCCCCC#N 1458a_100000210198_100009813376 [1,1,0,0,0,0|1,0,1]=4 9434 B11R0.42 CC(C)C(=O)CCCCCCF 1458a_100000210198_100015922095 [1,1,0,0,0,0|1,0,0]=3 9435 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100000210198_100000766143 [1,1,0,0,0,0|1,0,0]=3 9436 B11R0.42 CC(C)C(=O)CCCCCCO 1458a_100011996774_100000210206 [1,1,0,0,0,0|1,0,0]=3 9437 B11R0.42 CC(C)C(=O)CNCCCCO 2230a_100000750430_100000753385 [1,1,0,0,0,0|2,0,0]=4 9438 B11R0.42 CC(C)C(=O)CNCCCCO 34a_100000750430_100000753385 [1,1,0,0,0,0|2,0,0]=4 9439 B11R0.42 CC(C)C(=O)COCCCCBr 34a_100011216708_100000753385 [1,1,0,0,0,0|2,0,0]=4 9440 B11R0.42 CC(C)C(=O)COCCCCCl 34a_100000210776_100000753385 [1,1,0,0,0,0|2,0,0]=4 9441 B11R0.42 CC(C)C(=O)COCCCCCl 7a_100000210776_100000753385 [1,1,0,0,0,0|2,0,0]=4 9442 B11R0.42 CC(C)C(=O)COCCCCF 34a_100011995726_100000753385 [1,1,0,0,0,0|2,0,0]=4 9443 B11R0.42 CC(C)C(=O)COCCCCF 7a_100011995726_100000753385 [1,1,0,0,0,0|2,0,0]=4 9444 B11R0.42 CC(C)C(=O)COCCCCI 34a_200012148704_100000753385 [1,1,0,0,0,0|2,0,0]=4 9445 B11R0.42 CC(C)C(=O)COCCCCN 34a_100000750430_100000753385 [1,1,0,0,0,0|2,0,0]=4 9446 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000729493_100000753385 [1,1,0,0,0,0|2,0,0]=4 9447 B11R0.42 CC(C)C(=O)CSCCCCF 62a_100000753385_100000729493 [1,1,0,0,0,0|2,0,0]=4 9448 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000210776_100000753385 [1,1,0,0,0,0|2,0,0]=4 9449 B11R0.42 CC(C)C(=O)CSCCCCO 62a_100000753385_100000210776 [1,1,0,0,0,0|2,0,0]=4 9450 B11R0.42 CC(C)C(=O)NCCCCCO 240690a_100000762737_100000210198 [1,1,0,0,0,0|2,0,0]=4 9451 B11R0.42 CC(F)C(=O)CCCCCC#N 1458a_100000062450_100009813376 [1,1,0,0,0,0|1,0,1]=4 9452 B11R0.42 CC(F)C(=O)CCCCCCF 1458a_100000062450_100015922095 [1,1,0,0,0,0|1,0,0]=3 9453 B11R0.42 CC(F)C(=O)CCCCCCO 1458a_100000062450_100000766143 [1,1,0,0,0,0|1,0,0]=3 9454 B11R0.42 CC(F)C(=O)NCCCCCO 240690a_100000762737_100000062450 [1,1,0,0,0,0|2,0,0]=4 9455 B11R0.42 CCCC/C=C/CC(=O)C(C)C 1458a_200016282684_100000210206 [1,1,0,0,0,0|0,0,2]=4 9456 B11R0.42 CCCCCC#CC(=O)C(C)C 1458a_100011215388_100000210206 [1,1,0,0,0,0|0,0,2]=4 9457 B11R0.42 CCCCCC=CC(=O)C(C)C 1458a_100016263427_100000210206 [1,1,0,0,0,0|0,0,2]=4 9458 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000210198_100000210614 [1,1,0,0,0,0|0,0,0]=2 9459 B11R0.42 CCCCCCCC(=O)C(C)C 1458a_100000211969_100000210206 [1,1,0,0,0,0|0,0,0]=2 9460 B11R0.42 CCCCCCCC(=O)C(C)F 1458a_100000062450_100000210614 [1,1,0,0,0,0|0,0,0]=2 9461 B11R0.42 CCCCCCCC(=O)C(O)O 1458a_100000233687_100000210614 [1,1,0,0,0,0|1,0,0]=3 9462 B11R0.42 CCCCCCCC(=O)N(C)C 11a_100102631434_100000211969 [1,1,0,0,0,0|1,0,0]=3 9463 B11R0.42 CCCCCCCC(=O)N(C)C 1626a_100102631434_100000211969 [1,1,0,0,0,0|1,0,0]=3 9464 B11R0.42 CCCCCCCC(=O)N(C)C 240690a_100102631434_100000211969 [1,1,0,0,0,0|1,0,0]=3 9465 B11R0.42 CCCCCCCC(=O)N(C)C 527a_100102631434_100000211969 [1,1,0,0,0,0|1,0,0]=3 9466 B11R0.42 CCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210614 [1,1,0,0,0,0|0,0,0]=2 9467 B11R0.42 CCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210614 [1,1,0,0,0,0|0,0,0]=2 9468 B11R0.42 CCCCCCCN(C)C(C)C 2230a_100000228206_100000210206 [1,1,0,0,0,0|2,0,0]=4 9469 B11R0.42 CCCCCCCN(C)C(C)C 269982a_100000228206_100000210206 [1,1,0,0,0,0|2,0,0]=4 9470 B11R0.42 CCCCCCCN(C)C(C)C 269982a_200000211004_100000210681 [1,1,0,0,0,0|2,0,0]=4 9471 B11R0.42 CCCCCCNC(=O)C(C)C 11a_100000210581_100000210198 [1,1,0,0,0,0|1,0,0]=3 9472 B11R0.42 CCCCCCNC(=O)C(C)C 1626a_100000210581_100000210198 [1,1,0,0,0,0|1,0,0]=3 9473 B11R0.42 CCCCCCNC(=O)C(C)C 240690a_100000210581_100000210198 [1,1,0,0,0,0|1,0,0]=3 9474 B11R0.42 CCCCCCNC(=O)C(C)C 527a_100000210581_100000210198 [1,1,0,0,0,0|1,0,0]=3 9475 B11R0.42 CCCCCCNC(=O)C(C)F 11a_100000210581_100000062450 [1,1,0,0,0,0|1,0,0]=3 9476 B11R0.42 CCCCCCNC(=O)C(C)F 1626a_100000210581_100000062450 [1,1,0,0,0,0|1,0,0]=3 9477 B11R0.42 CCCCCCNC(=O)C(C)F 240690a_100000210581_100000062450 [1,1,0,0,0,0|1,0,0]=3 9478 B11R0.42 CCCCCCNC(=O)C(C)F 527a_100000210581_100000062450 [1,1,0,0,0,0|1,0,0]=3 9479 B11R0.42 CCCCCCNC(=O)C(F)F 11a_100000210581_100000210393 [1,1,0,0,0,0|2,0,0]=4 9480 B11R0.42 CCCCCCNC(=O)C(F)F 1626a_100000210581_100000210393 [1,1,0,0,0,0|2,0,0]=4 9481 B11R0.42 CCCCCCNC(=O)C(F)F 240690a_100000210581_100000210393 [1,1,0,0,0,0|2,0,0]=4 9482 B11R0.42 CCCCCCNC(=O)C(F)F 527a_100000210581_100000210393 [1,1,0,0,0,0|2,0,0]=4 9483 B11R0.42 CCCCCCNC(=O)C(O)O 240690a_100000210581_100000233687 [1,1,0,0,0,0|2,0,0]=4 9484 B11R0.42 CCCCCCNC(=O)N(C)C 2708a_100000210581_100102631434 [1,1,0,0,0,0|2,0,0]=4 9485 B11R0.42 CCCCCCNC(=O)[C@@H](C)O 240690a_100000210581_100000717761 [1,1,0,0,0,0|1,0,0]=3 9486 B11R0.42 CCCCCCNC(=O)[C@H](C)O 1626a_100000210581_217856618621 [1,1,0,0,0,0|1,0,0]=3 9487 B11R0.42 CCCCCCNC(=O)[C@H](C)O 240690a_100000210581_217856618621 [1,1,0,0,0,0|1,0,0]=3 9488 B11R0.42 CCCCCNCC(=O)C(C)C 2230a_100000209983_100000753385 [1,1,0,0,0,0|1,0,0]=3 9489 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100000209983_100000185267 [1,1,0,0,0,0|2,0,0]=4 9490 B11R0.42 CCCCCNCC(=O)N(C)C 2230a_100015183351_100000210326 [1,1,0,0,0,0|2,0,0]=4 9491 B11R0.42 CCCCCNNC(=O)C(C)C 22a_100000694160_100000210198 [1,1,0,0,0,0|2,0,0]=4 9492 B11R0.42 CCCCCNNC(=O)C(C)F 22a_100000694160_100000062450 [1,1,0,0,0,0|2,0,0]=4 9493 B11R0.42 CCCCCNNC(=O)[C@@H](C)O 22a_100000694160_100000717761 [1,1,0,0,0,0|2,0,0]=4 9494 B11R0.42 CCCCCNNC(=O)[C@H](C)O 22a_100000694160_217856618621 [1,1,0,0,0,0|2,0,0]=4 9495 B11R0.42 CCCCCOCC(=O)C(=O)C 34a_100000210253_100011261029 [1,1,0,0,0,0|1,0,1]=4 9496 B11R0.42 CCCCCOCC(=O)C(C)C 34a_100000210253_100000753385 [1,1,0,0,0,0|1,0,0]=3 9497 B11R0.42 CCCCCOCC(=O)C(C)C 7a_100000210253_100000753385 [1,1,0,0,0,0|1,0,0]=3 9498 B11R0.42 CCCCCOCC(=O)N(C)C 34a_100000210253_100000692301 [1,1,0,0,0,0|2,0,0]=4 9499 B11R0.42 CCCCCOCC(=O)N(C)C 7a_100000210253_100000692301 [1,1,0,0,0,0|2,0,0]=4 9500 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100000210326_100011261029 [1,1,0,0,0,0|1,0,1]=4 9501 B11R0.42 CCCCCSCC(=O)C(=O)C 62a_100011261029_100000210326 [1,1,0,0,0,0|1,0,1]=4 9502 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000210326_100000753385 [1,1,0,0,0,0|1,0,0]=3 9503 B11R0.42 CCCCCSCC(=O)C(C)C 62a_100000753385_100000210326 [1,1,0,0,0,0|1,0,0]=3 9504 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000210326_100000692301 [1,1,0,0,0,0|2,0,0]=4 9505 B11R0.42 CCCCCSCC(=O)N(C)C 62a_100000692301_100000210326 [1,1,0,0,0,0|2,0,0]=4 9506 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000102301_100000737620 [1,1,0,0,0,0|2,0,0]=4 9507 B11R0.42 CCCCNCCC(=O)N(C)C 2230a_100000738053_100000210211 [1,1,0,0,0,0|2,0,0]=4 9508 B11R0.42 CCCCNCCC(=O)N(C)C 7a_106832991798_100000737620 [1,1,0,0,0,0|2,0,0]=4 9509 B11R0.42 CCCCOCCC(=O)C(C)C 1458a_100000210198_100000743108 [1,1,0,0,0,0|1,0,0]=3 9510 B11R0.42 CCCCOCCC(=O)C(C)F 1458a_100000062450_100000743108 [1,1,0,0,0,0|1,0,0]=3 9511 B11R0.42 CCCCOCCC(=O)C(O)O 1458a_100000233687_100000743108 [1,1,0,0,0,0|2,0,0]=4 9512 B11R0.42 CCCCOCCC(=O)N(C)C 34a_200000747469_100000210210 [1,1,0,0,0,0|2,0,0]=4 9513 B11R0.42 CCCCOCCC(=O)N(C)C 7a_100000210227_100000737620 [1,1,0,0,0,0|2,0,0]=4 9514 B11R0.42 CCCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000743108 [1,1,0,0,0,0|1,0,0]=3 9515 B11R0.42 CCCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000743108 [1,1,0,0,0,0|1,0,0]=3 9516 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000210211_100000737620 [1,1,0,0,0,0|2,0,0]=4 9517 B11R0.42 CCCCSCCC(=O)N(C)C 62a_100000737620_100000210210 [1,1,0,0,0,0|2,0,0]=4 9518 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000139345_100000210210 [1,1,0,0,0,0|2,0,0]=4 9519 B11R0.42 CCCCSCOC(=O)C(C)C 62a_100000210211_100000139345 [1,1,0,0,0,0|2,0,0]=4 9520 B11R0.42 CCCNCCCC(=O)N(C)C 2230a_200000744827_100000210303 [1,1,0,0,0,0|2,0,0]=4 9521 B11R0.42 CCCNCCNC(=O)C(C)C 2230a_100000752568_100000210303 [1,1,0,0,0,0|2,0,0]=4 9522 B11R0.42 CCCNCCNC(=O)C(C)C 34a_100000752568_100000210303 [1,1,0,0,0,0|2,0,0]=4 9523 B11R0.42 CCCOCCNC(=O)C(C)C 1626a_100161115042_100000210198 [1,1,0,0,0,0|2,0,0]=4 9524 B11R0.42 CCCOCCNC(=O)C(C)C 240690a_100161115042_100000210198 [1,1,0,0,0,0|2,0,0]=4 9525 B11R0.42 CCCOCCNC(=O)C(C)C 527a_100161115042_100000210198 [1,1,0,0,0,0|2,0,0]=4 9526 B11R0.42 CCCOCCNC(=O)C(C)F 1626a_100161115042_100000062450 [1,1,0,0,0,0|2,0,0]=4 9527 B11R0.42 CCCOCCNC(=O)C(C)F 240690a_100161115042_100000062450 [1,1,0,0,0,0|2,0,0]=4 9528 B11R0.42 CCCOCCNC(=O)C(C)F 527a_100161115042_100000062450 [1,1,0,0,0,0|2,0,0]=4 9529 B11R0.42 CCCOCCNC(=O)[C@@H](C)O 240690a_100161115042_100000717761 [1,1,0,0,0,0|2,0,0]=4 9530 B11R0.42 CCCOCCNC(=O)[C@H](C)O 1626a_100161115042_217856618621 [1,1,0,0,0,0|2,0,0]=4 9531 B11R0.42 CCCOCCNC(=O)[C@H](C)O 240690a_100161115042_217856618621 [1,1,0,0,0,0|2,0,0]=4 9532 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000210303_100000737642 [1,1,0,0,0,0|2,0,0]=4 9533 B11R0.42 CCCSCCCC(=O)N(C)C 62a_100000737642_100000210303 [1,1,0,0,0,0|2,0,0]=4 9534 B11R0.42 CCCSCCNC(=O)C(C)C 11a_100020603323_100000210198 [1,1,0,0,0,0|2,0,0]=4 9535 B11R0.42 CCCSCCNC(=O)C(C)C 240690a_100020603323_100000210198 [1,1,0,0,0,0|2,0,0]=4 9536 B11R0.42 CCCSCCNC(=O)C(C)C 527a_100020603323_100000210198 [1,1,0,0,0,0|2,0,0]=4 9537 B11R0.42 CCCSCCNC(=O)C(C)F 11a_100020603323_100000062450 [1,1,0,0,0,0|2,0,0]=4 9538 B11R0.42 CCCSCCNC(=O)C(C)F 240690a_100020603323_100000062450 [1,1,0,0,0,0|2,0,0]=4 9539 B11R0.42 CCCSCCNC(=O)C(C)F 527a_100020603323_100000062450 [1,1,0,0,0,0|2,0,0]=4 9540 B11R0.42 CCCSCCNC(=O)[C@@H](C)O 240690a_100020603323_100000717761 [1,1,0,0,0,0|2,0,0]=4 9541 B11R0.42 CCCSCCNC(=O)[C@H](C)O 240690a_100020603323_217856618621 [1,1,0,0,0,0|2,0,0]=4 9542 B11R0.42 CCOCCCCC(=O)N(C)C 34a_100121572206_100000752486 [1,1,0,0,0,0|2,0,0]=4 9543 B11R0.42 CCOCCCNC(=O)C(C)C 11a_100000210961_100000210198 [1,1,0,0,0,0|2,0,0]=4 9544 B11R0.42 CCOCCCNC(=O)C(C)C 1626a_100000210961_100000210198 [1,1,0,0,0,0|2,0,0]=4 9545 B11R0.42 CCOCCCNC(=O)C(C)C 240690a_100000210961_100000210198 [1,1,0,0,0,0|2,0,0]=4 9546 B11R0.42 CCOCCCNC(=O)C(C)C 527a_100000210961_100000210198 [1,1,0,0,0,0|2,0,0]=4 9547 B11R0.42 CCOCCCNC(=O)C(C)F 11a_100000210961_100000062450 [1,1,0,0,0,0|2,0,0]=4 9548 B11R0.42 CCOCCCNC(=O)C(C)F 1626a_100000210961_100000062450 [1,1,0,0,0,0|2,0,0]=4 9549 B11R0.42 CCOCCCNC(=O)C(C)F 240690a_100000210961_100000062450 [1,1,0,0,0,0|2,0,0]=4 9550 B11R0.42 CCOCCCNC(=O)C(C)F 527a_100000210961_100000062450 [1,1,0,0,0,0|2,0,0]=4 9551 B11R0.42 CCOCCCNC(=O)[C@@H](C)O 240690a_100000210961_100000717761 [1,1,0,0,0,0|2,0,0]=4 9552 B11R0.42 CCOCCCNC(=O)[C@H](C)O 1626a_100000210961_217856618621 [1,1,0,0,0,0|2,0,0]=4 9553 B11R0.42 CCOCCCNC(=O)[C@H](C)O 240690a_100000210961_217856618621 [1,1,0,0,0,0|2,0,0]=4 9554 B11R0.42 CCOCCNCC(=O)C(C)C 2230a_102516460346_100000753385 [1,1,0,0,0,0|2,0,0]=4 9555 B11R0.42 CCOCCNCC(=O)C(C)C 34a_102516460346_100000753385 [1,1,0,0,0,0|2,0,0]=4 9556 B11R0.42 CCOCCOCC(=O)C(C)C 34a_100000210136_100000753385 [1,1,0,0,0,0|2,0,0]=4 9557 B11R0.42 CCOCCOCC(=O)C(C)C 7a_100000210136_100000753385 [1,1,0,0,0,0|2,0,0]=4 9558 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000210147_100000753385 [1,1,0,0,0,0|2,0,0]=4 9559 B11R0.42 CCOCCSCC(=O)C(C)C 62a_100000753385_100011215890 [1,1,0,0,0,0|2,0,0]=4 9560 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000210202_100000752486 [1,1,0,0,0,0|2,0,0]=4 9561 B11R0.42 CCSCCCCC(=O)N(C)C 62a_100000752486_100000210202 [1,1,0,0,0,0|2,0,0]=4 9562 B11R0.42 CCSCCNCC(=O)C(C)C 2230a_100000106463_100000753385 [1,1,0,0,0,0|2,0,0]=4 9563 B11R0.42 CCSCCOCC(=O)C(C)C 34a_100000212035_100000753385 [1,1,0,0,0,0|2,0,0]=4 9564 B11R0.42 CCSCCOCC(=O)C(C)C 7a_100000212035_100000753385 [1,1,0,0,0,0|2,0,0]=4 9565 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000753385_100000757381 [1,1,0,0,0,0|2,0,0]=4 9566 B11R0.42 CCSCCSCC(=O)C(C)C 62a_100000757381_100000753385 [1,1,0,0,0,0|2,0,0]=4 9567 B11R0.42 CN(C)C(=O)CCCCCCO 240690a_100102631434_100011996774 [1,1,0,0,0,0|2,0,0]=4 9568 B11R0.42 CNCCCOCC(=O)C(C)C 34a_100000213112_100000753385 [1,1,0,0,0,0|2,0,0]=4 9569 B11R0.42 COCCCCCC(=O)C(C)C 1458a_100011935119_100000210206 [1,1,0,0,0,0|1,0,0]=3 9570 B11R0.42 COCCCCCC(=O)N(C)C 11a_100102631434_100011935119 [1,1,0,0,0,0|2,0,0]=4 9571 B11R0.42 COCCCCCC(=O)N(C)C 1626a_100102631434_100011935119 [1,1,0,0,0,0|2,0,0]=4 9572 B11R0.42 COCCCCCC(=O)N(C)C 240690a_100102631434_100011935119 [1,1,0,0,0,0|2,0,0]=4 9573 B11R0.42 COCCCCCC(=O)N(C)C 527a_100102631434_100011935119 [1,1,0,0,0,0|2,0,0]=4 9574 B11R0.42 COCCCNCC(=O)C(C)C 34a_100150723488_100000753385 [1,1,0,0,0,0|2,0,0]=4 9575 B11R0.42 COCCCOCC(=O)C(C)C 34a_100000740835_100000753385 [1,1,0,0,0,0|2,0,0]=4 9576 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000709357_100000753385 [1,1,0,0,0,0|2,0,0]=4 9577 B11R0.42 COCCCSCC(=O)C(C)C 62a_100000753385_100000709357 [1,1,0,0,0,0|2,0,0]=4 9578 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000210198_100000695917 [1,1,0,0,0,0|2,0,0]=4 9579 B11R0.42 COCCOCCC(=O)C(C)C 1458a_100000745395_100000210206 [1,1,0,0,0,0|2,0,0]=4 9580 B11R0.42 COCCOCCC(=O)C(C)F 1458a_100000062450_100000695917 [1,1,0,0,0,0|2,0,0]=4 9581 B11R0.42 COCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100000695917 [1,1,0,0,0,0|2,0,0]=4 9582 B11R0.42 COCCOCCC(=O)[C@H](C)O 1458a_217856618621_100000695917 [1,1,0,0,0,0|2,0,0]=4 9583 B11R0.42 CSCCCNCC(=O)C(C)C 2230a_100000749238_100000753385 [1,1,0,0,0,0|2,0,0]=4 9584 B11R0.42 CSCCCOCC(=O)C(C)C 34a_100000690336_100000753385 [1,1,0,0,0,0|2,0,0]=4 9585 B11R0.42 CSCCCOCC(=O)C(C)C 7a_100000690336_100000753385 [1,1,0,0,0,0|2,0,0]=4 9586 B11R0.42 C[C@@H](O)C(=O)CCCCCC#N 1458a_100000717761_100009813376 [1,1,0,0,0,0|1,0,1]=4 9587 B11R0.42 C[C@@H](O)C(=O)CCCCCCF 1458a_100000717761_100015922095 [1,1,0,0,0,0|1,0,0]=3 9588 B11R0.42 C[C@@H](O)C(=O)CCCCCCO 1458a_100000717761_100000766143 [1,1,0,0,0,0|1,0,0]=3 9589 B11R0.42 C[C@@H](O)C(=O)NCCCCCO 240690a_100000762737_100000717761 [1,1,0,0,0,0|2,0,0]=4 9590 B11R0.42 C[C@H](O)C(=O)CCCCCC#N 1458a_217856618621_100009813376 [1,1,0,0,0,0|1,0,1]=4 9591 B11R0.42 C[C@H](O)C(=O)CCCCCCF 1458a_217856618621_100015922095 [1,1,0,0,0,0|1,0,0]=3 9592 B11R0.42 C[C@H](O)C(=O)CCCCCCO 1458a_217856618621_100000766143 [1,1,0,0,0,0|1,0,0]=3 9593 B11R0.42 C[C@H](O)C(=O)NCCCCCO 240690a_100000762737_217856618621 [1,1,0,0,0,0|2,0,0]=4 9594 B11R0.42 O=C(CCCCCCF)C(O)O 1458a_100000233687_100015922095 [1,1,0,0,0,0|2,0,0]=4 9595 B11R0.42 O=C(CCCCCCO)C(O)O 1458a_100000233687_100000766143 [1,1,0,0,0,0|2,0,0]=4 9596 B11R0.49 CCCCCCCC(C)(C)OC 34a_100138415774_200000046972 [1,1,0,0,0,0|1,0,1]=4 9597 B11R0.49 CCCCCCNS(=O)(=O)CC 270084a_100000210581_100000211323 [1,1,0,0,0,0|2,0,0]=4 9598 B11R0.49 CCCCCCNS(=O)(=O)CC 274078a_100000210581_100000211323 [1,1,0,0,0,0|2,0,0]=4 9599 B11R0.49 CCCCCCNS(=O)(=O)CC 40a_100000210581_100000053943 [1,1,0,0,0,0|2,0,0]=4 9600 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000102301_100000756660 [1,1,0,0,0,0|2,0,0]=4 9601 B11R0.49 CCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210211 [1,1,0,0,0,0|2,0,0]=4 9602 B11R0.49 CCCCNCCS(=O)(=O)CC 34a_100000751051_100000210210 [1,1,0,0,0,0|2,0,0]=4 9603 B11R0.49 CCCCNCCS(=O)(=O)CC 7a_106832991798_100000756660 [1,1,0,0,0,0|2,0,0]=4 9604 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_100000210227_100000756660 [1,1,0,0,0,0|2,0,0]=4 9605 B11R0.49 CCCCOCCS(=O)(=O)CC 34a_200011216379_100000210210 [1,1,0,0,0,0|2,0,0]=4 9606 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_100000210227_100000756660 [1,1,0,0,0,0|2,0,0]=4 9607 B11R0.49 CCCCOCCS(=O)(=O)CC 7a_200011216379_100000210211 [1,1,0,0,0,0|2,0,0]=4 9608 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000210211_100000756660 [1,1,0,0,0,0|2,0,0]=4 9609 B11R0.49 CCCCSCCS(=O)(=O)CC 62a_100000756660_100000210210 [1,1,0,0,0,0|2,0,0]=4 9610 B11R0.70 CCC(=O)CCN(C)CCOC 1458a_200103286627_100000210202 [1,1,0,0,0,0|2,0,0]=4 9611 B11R0.70 CCC(=O)COC(C)CCCCl 7a_200000718107_100000747405 [1,1,0,0,0,0|2,0,0]=4 9612 B11R0.70 CCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000210414 [1,1,0,0,0,0|2,0,0]=4 9613 B11R0.70 CCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000210414 [1,1,0,0,0,0|2,0,0]=4 9614 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [1,1,0,0,0,0|1,0,1]=4 9615 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [1,1,0,0,0,0|0,0,1]=3 9616 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [1,1,0,0,0,0|1,0,1]=4 9617 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [1,1,0,0,0,0|1,0,1]=4 9618 B11R0.70 CCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210211 [1,1,0,0,0,0|1,0,1]=4 9619 B11R0.70 CCCCC(=O)NCC(=O)OC 188690a_100000185156_100000210183 [1,1,0,0,0,0|1,0,1]=4 9620 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [1,1,0,0,0,0|0,0,0]=2 9621 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [1,1,0,0,0,0|1,0,0]=3 9622 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [1,1,0,0,0,0|1,0,0]=3 9623 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 9624 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 9625 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 9626 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [1,1,0,0,0,0|2,0,0]=4 9627 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [1,1,0,0,0,0|2,0,0]=4 9628 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [1,1,0,0,0,0|2,0,0]=4 9629 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [1,1,0,0,0,0|1,0,0]=3 9630 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [1,1,0,0,0,0|1,0,0]=3 9631 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [1,1,0,0,0,0|1,0,0]=3 9632 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [1,1,0,0,0,0|2,0,0]=4 9633 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [1,1,0,0,0,0|2,0,0]=4 9634 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [1,1,0,0,0,0|2,0,0]=4 9635 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [1,1,0,0,0,0|1,0,0]=3 9636 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [1,1,0,0,0,0|1,0,0]=3 9637 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [1,1,0,0,0,0|1,0,0]=3 9638 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [1,1,0,0,0,0|1,0,0]=3 9639 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [1,1,0,0,0,0|2,0,0]=4 9640 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [1,1,0,0,0,0|2,0,0]=4 9641 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [1,1,0,0,0,0|1,0,0]=3 9642 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [1,1,0,0,0,0|1,0,0]=3 9643 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [1,1,0,0,0,0|2,0,0]=4 9644 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [1,1,0,0,0,0|2,0,0]=4 9645 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [1,1,0,0,0,0|2,0,0]=4 9646 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [1,1,0,0,0,0|2,0,0]=4 9647 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [1,1,0,0,0,0|1,0,0]=3 9648 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [1,1,0,0,0,0|1,0,0]=3 9649 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [1,1,0,0,0,0|1,0,0]=3 9650 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [1,1,0,0,0,0|1,0,1]=4 9651 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [1,1,0,0,0,0|1,0,1]=4 9652 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [1,1,0,0,0,0|1,0,1]=4 9653 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [1,1,0,0,0,0|1,0,1]=4 9654 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [1,1,0,0,0,0|1,0,1]=4 9655 B11R0.70 CCCOC(C)CNC(=O)CC 11a_100015185124_100000210414 [1,1,0,0,0,0|2,0,0]=4 9656 B11R0.70 CCCOC(C)CNC(=O)CC 1626a_100015185124_100000210414 [1,1,0,0,0,0|2,0,0]=4 9657 B11R0.70 CCCOC(C)CNC(=O)CC 240690a_100015185124_100000210414 [1,1,0,0,0,0|2,0,0]=4 9658 B11R0.70 CCCOC(C)CNC(=O)CC 527a_100015185124_100000210414 [1,1,0,0,0,0|2,0,0]=4 9659 B11R0.70 CCNCC(=O)CCC(=O)OC 2230a_100015525214_100000691467 [1,1,0,0,0,0|1,0,1]=4 9660 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [1,1,0,0,0,0|1,0,1]=4 9661 B11R0.70 CCOCC(C)OCC(=O)CC 7a_100000718985_100000747405 [1,1,0,0,0,0|2,0,0]=4 9662 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [1,1,0,0,0,0|2,0,0]=4 9663 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [1,1,0,0,0,0|2,0,0]=4 9664 B11R0.70 CCOCC(O)CNC(=O)CC 240690a_102515437182_100000210414 [1,1,0,0,0,0|2,0,0]=4 9665 B11R0.70 CCOCC(O)CNC(=O)CC 527a_102515437182_100000210414 [1,1,0,0,0,0|2,0,0]=4 9666 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [1,1,0,0,0,0|2,0,0]=4 9667 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000210202_100000691467 [1,1,0,0,0,0|1,0,1]=4 9668 B11R0.70 CCSCC(=O)CCC(=O)OC 62a_100000691467_100000210202 [1,1,0,0,0,0|1,0,1]=4 9669 B11R0.70 COC(=O)CCC(=O)CCCF 1458a_100000187943_100011934791 [1,1,0,0,0,0|1,0,1]=4 9670 B11R0.70 COC(=O)CCC(=O)CCCO 1458a_100000187943_100011215043 [1,1,0,0,0,0|1,0,1]=4 9671 B11R0.70 COC(=O)CCC(=O)CCSC 1458a_100000187943_100000751147 [1,1,0,0,0,0|1,0,1]=4 9672 B11R0.70 COC(=O)CCN(C)CCCF 269982a_100025711912_100011934791 [1,1,0,0,0,0|2,0,0]=4 9673 B11R0.70 COC(=O)CCN(C)CCCO 2230a_100000213112_100000204255 [1,1,0,0,0,0|2,0,0]=4 9674 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100000213112_100000204255 [1,1,0,0,0,0|2,0,0]=4 9675 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100025711912_100011215043 [1,1,0,0,0,0|2,0,0]=4 9676 B11R0.70 COC(=O)CCN(C)CCSC 2230a_100000686725_100000204255 [1,1,0,0,0,0|2,0,0]=4 9677 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100000686725_100000204255 [1,1,0,0,0,0|2,0,0]=4 9678 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100025711912_100000212216 [1,1,0,0,0,0|2,0,0]=4 9679 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [1,1,0,0,0,0|2,0,0]=4 9680 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [1,1,0,0,0,0|2,0,0]=4 9681 B11R0.70 COCCC(=O)CCC(=O)OC 1458a_100000187943_100000233755 [1,1,0,0,0,0|1,0,1]=4 9682 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [1,1,0,0,0,0|2,0,0]=4 9683 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [1,1,0,0,0,0|2,0,0]=4 9684 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [1,1,0,0,0,0|2,0,0]=4 9685 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000210414_100000204269 [1,1,0,0,0,0|0,0,1]=3 9686 B11R0.106 CCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210202 [1,1,0,0,0,0|0,0,1]=3 9687 B11R0.106 CCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210202 [1,1,0,0,0,0|1,0,1]=4 9688 B11R0.106 CCC(=O)CCOCC(=O)OC 1458a_100000210414_100000090808 [1,1,0,0,0,0|1,0,1]=4 9689 B11R0.106 CCC(=O)COCCC(=O)OC 34a_100000725409_100000742370 [1,1,0,0,0,0|1,0,1]=4 9690 B11R0.106 CCC(=O)COCCC(C)CC 7a_100011215188_100000747405 [1,1,0,0,0,0|1,0,0]=3 9691 B11R0.106 CCC(=O)COCCC(C)OC 7a_100000764861_100000747405 [1,1,0,0,0,0|2,0,0]=4 9692 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000204255_100000747405 [1,1,0,0,0,0|1,0,1]=4 9693 B11R0.106 CCC(=O)CSCCC(=O)OC 62a_100000747405_100000204255 [1,1,0,0,0,0|1,0,1]=4 9694 B11R0.106 CCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210414 [1,1,0,0,0,0|1,0,1]=4 9695 B11R0.106 CCC(=O)NCCNC(C)CC 34a_100132302217_100011215416 [1,1,0,0,0,0|2,0,0]=4 9696 B11R0.106 CCC(=O)NCCOC(C)CC 34a_200000158885_100011215416 [1,1,0,0,0,0|2,0,0]=4 9697 B11R0.106 CCC(=O)NCCOC(C)CC 7a_200000158885_100000758301 [1,1,0,0,0,0|2,0,0]=4 9698 B11R0.106 CCC(=O)OCCOC(C)CC 7a_200000031056_100000758301 [1,1,0,0,0,0|2,0,0]=4 9699 B11R0.106 CCC(C)CCNCC(=O)NC 2230a_100020591266_100000183359 [1,1,0,0,0,0|2,0,0]=4 9700 B11R0.106 CCC(C)CCNCC(=O)OC 2230a_100020591266_100000747449 [1,1,0,0,0,0|1,0,0]=3 9701 B11R0.106 CCC(C)CCOCC(=O)NC 7a_100011215188_100000183359 [1,1,0,0,0,0|2,0,0]=4 9702 B11R0.106 CCC(C)CCOCC(=O)OC 7a_100011215188_100000747449 [1,1,0,0,0,0|1,0,0]=3 9703 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100000738227_100000748023 [1,1,0,0,0,0|2,0,0]=4 9704 B11R0.106 CCC(C)CNCCC(=O)NC 2230a_100020588543_100000737683 [1,1,0,0,0,0|2,0,0]=4 9705 B11R0.106 CCC(C)CNCCC(=O)NC 270004a_100000738227_100000243153 [1,1,0,0,0,0|2,0,0]=4 9706 B11R0.106 CCC(C)CNCCC(=O)NC 34a_100000738227_100000748023 [1,1,0,0,0,0|2,0,0]=4 9707 B11R0.106 CCC(C)CNCCC(=O)OC 2230a_100020588543_100000204255 [1,1,0,0,0,0|1,0,0]=3 9708 B11R0.106 CCC(C)COCCC(=O)NC 34a_100000754576_100000748023 [1,1,0,0,0,0|2,0,0]=4 9709 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000737683_100000748023 [1,1,0,0,0,0|2,0,0]=4 9710 B11R0.106 CCC(C)CSCCC(=O)NC 62a_100000748023_100000737683 [1,1,0,0,0,0|2,0,0]=4 9711 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000204255_100000748023 [1,1,0,0,0,0|1,0,0]=3 9712 B11R0.106 CCC(C)CSCCC(=O)OC 62a_100000748023_100000204255 [1,1,0,0,0,0|1,0,0]=3 9713 B11R0.106 CCC(C)CSCOC(=O)OC 62a_100000748023_100000139417 [1,1,0,0,0,0|2,0,0]=4 9714 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000209981_100000741757 [1,1,0,0,0,0|2,0,0]=4 9715 B11R0.106 CCC(C)NCCCC(=O)NC 2230a_100000740002_100000758301 [1,1,0,0,0,0|2,0,0]=4 9716 B11R0.106 CCC(C)NCCCC(=O)NC 34a_100000740002_100011215416 [1,1,0,0,0,0|2,0,0]=4 9717 B11R0.106 CCC(C)NCCCC(=O)OC 2230a_100000209981_100011218270 [1,1,0,0,0,0|1,0,0]=3 9718 B11R0.106 CCC(C)OCCCC(=O)NC 7a_100000210228_100000741757 [1,1,0,0,0,0|2,0,0]=4 9719 B11R0.106 CCC(C)OCCCC(=O)OC 7a_100000210228_100011218270 [1,1,0,0,0,0|1,0,0]=3 9720 B11R0.106 CCC(C)OCCNC(=O)OC 34a_100000757965_100011215416 [1,1,0,0,0,0|2,0,0]=4 9721 B11R0.106 CCC(C)OCCOC(=O)OC 34a_100010262106_100011215416 [1,1,0,0,0,0|2,0,0]=4 9722 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000741757_100000758301 [1,1,0,0,0,0|2,0,0]=4 9723 B11R0.106 CCC(C)SCCCC(=O)NC 62a_100000758301_100000741757 [1,1,0,0,0,0|2,0,0]=4 9724 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100000758301_100011218270 [1,1,0,0,0,0|1,0,0]=3 9725 B11R0.106 CCC(C)SCCCC(=O)OC 62a_100011218270_100000758301 [1,1,0,0,0,0|1,0,0]=3 9726 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100000738227_100011218378 [1,1,0,0,0,0|2,0,0]=4 9727 B11R0.106 CCC(O)CNCCC(=O)NC 2230a_100011218483_100000737683 [1,1,0,0,0,0|2,0,0]=4 9728 B11R0.106 CCC(O)CNCCC(=O)NC 34a_100000738227_100011218378 [1,1,0,0,0,0|2,0,0]=4 9729 B11R0.106 CCC(O)CNCCC(=O)OC 2230a_100011218483_100000204255 [1,1,0,0,0,0|1,0,0]=3 9730 B11R0.106 CCC(O)COCCC(=O)NC 34a_100000754576_100011218378 [1,1,0,0,0,0|2,0,0]=4 9731 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100000737683_100011218378 [1,1,0,0,0,0|2,0,0]=4 9732 B11R0.106 CCC(O)CSCCC(=O)NC 62a_100011218378_100000737683 [1,1,0,0,0,0|2,0,0]=4 9733 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100000204255_100011218378 [1,1,0,0,0,0|1,0,0]=3 9734 B11R0.106 CCC(O)CSCCC(=O)OC 62a_100011218378_100000204255 [1,1,0,0,0,0|1,0,0]=3 9735 B11R0.106 CCC(O)CSCOC(=O)OC 62a_100011218378_100000139417 [1,1,0,0,0,0|2,0,0]=4 9736 B11R0.106 CCN(C)CCCCC(=O)OC 2230a_100000225621_100000204269 [1,1,0,0,0,0|1,0,0]=3 9737 B11R0.106 CCN(C)CCCCC(=O)OC 269982a_100000225621_100000204269 [1,1,0,0,0,0|1,0,0]=3 9738 B11R0.106 CCN(C)CCOCC(=O)OC 2230a_100000225621_100000090808 [1,1,0,0,0,0|2,0,0]=4 9739 B11R0.106 CC[C@H](C)CNCCC(=O)NC 2230a_100000738227_100009816398 [1,1,0,0,0,0|2,0,0]=4 9740 B11R0.106 CC[C@H](C)CNCCC(=O)NC 34a_100000738227_100009816398 [1,1,0,0,0,0|2,0,0]=4 9741 B11R0.106 CC[C@H](C)COCCC(=O)NC 34a_100000754576_100009816398 [1,1,0,0,0,0|2,0,0]=4 9742 B11R0.106 CC[C@H](C)COCCC(=O)NC 7a_100009816381_100000737683 [1,1,0,0,0,0|2,0,0]=4 9743 B11R0.106 CC[C@H](C)COCCC(=O)OC 7a_100009816381_100000204255 [1,1,0,0,0,0|1,0,0]=3 9744 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100000737683_100009816398 [1,1,0,0,0,0|2,0,0]=4 9745 B11R0.106 CC[C@H](C)CSCCC(=O)NC 62a_100009816398_100000737683 [1,1,0,0,0,0|2,0,0]=4 9746 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100000204255_100009816398 [1,1,0,0,0,0|1,0,0]=3 9747 B11R0.106 CC[C@H](C)CSCCC(=O)OC 62a_100009816398_100000204255 [1,1,0,0,0,0|1,0,0]=3 9748 B11R0.106 CC[C@H](C)CSCOC(=O)OC 62a_100009816398_100000139417 [1,1,0,0,0,0|2,0,0]=4 9749 B11R0.106 CNC(=O)CCCCC(=O)OC 11a_106832991635_100000695723 [1,1,0,0,0,0|1,0,1]=4 9750 B11R0.106 CNC(=O)CCCCC(=O)OC 1626a_100102657272_100000695723 [1,1,0,0,0,0|1,0,1]=4 9751 B11R0.106 CNC(=O)CCCCC(=O)OC 240690a_100102657272_100000695723 [1,1,0,0,0,0|1,0,1]=4 9752 B11R0.106 CNC(=O)CCCCC(=O)OC 527a_100102657272_100000695723 [1,1,0,0,0,0|1,0,1]=4 9753 B11R0.106 COC(=O)CCCCC(=O)CF 1458a_100000695723_100015361967 [1,1,0,0,0,0|1,0,1]=4 9754 B11R0.106 COC(=O)CCCCC(=O)CO 1458a_100000210174_100000204269 [1,1,0,0,0,0|1,0,1]=4 9755 B11R0.106 COC(=O)CCCN[C@H](C)CO 2230a_100000737577_100011218270 [1,1,0,0,0,0|2,0,0]=4 9756 B11R0.106 COC(=O)CCCOC(C)CF 34a_100016041109_100000742333 [1,1,0,0,0,0|2,0,0]=4 9757 B11R0.106 COC(=O)CCCOC(C)CF 7a_100016041109_100011218270 [1,1,0,0,0,0|2,0,0]=4 9758 B11R0.106 COC(=O)CCCOC(C)CN 34a_100000210904_100000742333 [1,1,0,0,0,0|2,0,0]=4 9759 B11R0.106 COC(=O)CCCSC(C)CO 62a_100012180447_100011218270 [1,1,0,0,0,0|2,0,0]=4 9760 B11R0.106 COC(=O)CCCSC(C)OC 62a_100009879195_100011218270 [1,1,0,0,0,0|2,0,0]=4 9761 B11R0.106 COC(=O)CCCSC(C)OC 62a_100011218270_100009879195 [1,1,0,0,0,0|2,0,0]=4 9762 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100011218270_100016084084 [1,1,0,0,0,0|2,0,0]=4 9763 B11R0.106 COC(=O)CCCS[C@H](C)CO 62a_100016084084_100011218270 [1,1,0,0,0,0|2,0,0]=4 9764 B11R0.106 COC(=O)CCNCC(C)CO 34a_100000744482_100000742370 [1,1,0,0,0,0|2,0,0]=4 9765 B11R0.106 COC(=O)CCNC[C@@H](C)OC 2230a_100020591295_100000204255 [1,1,0,0,0,0|2,0,0]=4 9766 B11R0.106 COC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000742370 [1,1,0,0,0,0|2,0,0]=4 9767 B11R0.106 COC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000204255 [1,1,0,0,0,0|2,0,0]=4 9768 B11R0.106 COC(=O)CCOCC(C)CN 34a_100000744482_100000742370 [1,1,0,0,0,0|2,0,0]=4 9769 B11R0.106 COC(=O)CCOCC(C)OC 34a_100000690652_100000742370 [1,1,0,0,0,0|2,0,0]=4 9770 B11R0.106 COC(=O)CCOCC(Cl)CCl 34a_100000033668_100000742370 [1,1,0,0,0,0|2,0,0]=4 9771 B11R0.106 COC(=O)CCOC[C@H](F)CN 34a_100015665980_100000742370 [1,1,0,0,0,0|2,0,0]=4 9772 B11R0.106 COC(=O)CCSCC(O)CO 62a_100000204255_100011219619 [1,1,0,0,0,0|2,0,0]=4 9773 B11R0.106 COC(=O)CCSCC(O)CO 62a_100011219619_100000204255 [1,1,0,0,0,0|2,0,0]=4 9774 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000204255 [1,1,0,0,0,0|2,0,0]=4 9775 B11R0.106 COC(=O)CCSC[C@@H](C)CO 62a_100000204255_100000059175 [1,1,0,0,0,0|2,0,0]=4 9776 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100000204255_100015614560 [1,1,0,0,0,0|2,0,0]=4 9777 B11R0.106 COC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000204255 [1,1,0,0,0,0|2,0,0]=4 9778 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100000204255_100009815848 [1,1,0,0,0,0|2,0,0]=4 9779 B11R0.106 COC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000204255 [1,1,0,0,0,0|2,0,0]=4 9780 B11R0.106 COC(=O)CNCCC(C)CO 2230a_106354213184_100000747449 [1,1,0,0,0,0|2,0,0]=4 9781 B11R0.106 COC(=O)CNCCC(C)CO 34a_106354213184_100000747449 [1,1,0,0,0,0|2,0,0]=4 9782 B11R0.106 COC(=O)COCCC(C)OC 7a_100000764861_100000747449 [1,1,0,0,0,0|2,0,0]=4 9783 B11R0.111 C#CC(=O)CCCCCC(C)C 1458a_100000211873_100000210682 [1,1,0,0,0,0|0,0,2]=4 9784 B11R0.111 C=C(C)CCOCCC(=O)OC 34a_100000764851_100000742370 [1,1,0,0,0,0|1,0,1]=4 9785 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000204255_100000730704 [1,1,0,0,0,0|1,0,1]=4 9786 B11R0.111 C=C(C)CCSCCC(=O)OC 62a_100000730704_100000204255 [1,1,0,0,0,0|1,0,1]=4 9787 B11R0.111 C=C(C)COCCCC(=O)OC 34a_100000210245_100000742333 [1,1,0,0,0,0|1,0,1]=4 9788 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100000748629_100011218270 [1,1,0,0,0,0|1,0,1]=4 9789 B11R0.111 C=C(C)CSCCCC(=O)OC 62a_100011218270_100000211660 [1,1,0,0,0,0|1,0,1]=4 9790 B11R0.111 C=CC(=O)CCCCCC(C)C 1458a_100000185746_100000210682 [1,1,0,0,0,0|0,0,2]=4 9791 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [1,1,0,0,0,0|1,0,0]=3 9792 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [1,1,0,0,0,0|1,0,0]=3 9793 B11R0.111 CCC(=O)CCCCCB(O)O 1458a_100000210414_200009817188 [1,1,0,0,0,0|2,0,0]=4 9794 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [1,1,0,0,0,0|1,0,1]=4 9795 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [1,1,0,0,0,0|0,0,0]=2 9796 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [1,1,0,0,0,0|0,0,0]=2 9797 B11R0.111 CCC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_100000210202 [1,1,0,0,0,0|2,0,0]=4 9798 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [1,1,0,0,0,0|1,0,1]=4 9799 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [1,1,0,0,0,0|1,0,1]=4 9800 B11R0.111 CCC(=O)COCCCC(=O)C 34a_100000725409_100000685027 [1,1,0,0,0,0|1,0,1]=4 9801 B11R0.111 CCC(=O)COCCCC(=O)C 7a_100000759063_100000747405 [1,1,0,0,0,0|1,0,1]=4 9802 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [1,1,0,0,0,0|1,0,0]=3 9803 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [1,1,0,0,0,0|1,0,0]=3 9804 B11R0.111 CCC(=O)COCCCC(C)O 34a_100000725409_200000718107 [1,1,0,0,0,0|1,0,0]=3 9805 B11R0.111 CCC(=O)COCCOC(C)C 34a_100000725409_100000211751 [1,1,0,0,0,0|2,0,0]=4 9806 B11R0.111 CCC(=O)COCCOC(C)C 7a_100000211219_100000747405 [1,1,0,0,0,0|2,0,0]=4 9807 B11R0.111 CCC(=O)COCCSC(C)C 34a_100000725409_100000730970 [1,1,0,0,0,0|2,0,0]=4 9808 B11R0.111 CCC(=O)COCCSC(C)C 7a_200011212901_100000747405 [1,1,0,0,0,0|2,0,0]=4 9809 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100000747405_100011215641 [1,1,0,0,0,0|1,0,1]=4 9810 B11R0.111 CCC(=O)CSCCCC(=O)C 62a_100011215641_100000747405 [1,1,0,0,0,0|1,0,1]=4 9811 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [1,1,0,0,0,0|1,0,0]=3 9812 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [1,1,0,0,0,0|1,0,0]=3 9813 B11R0.111 CCC(=O)CSCCCC(C)O 62a_100000747405_200000718107 [1,1,0,0,0,0|1,0,0]=3 9814 B11R0.111 CCC(=O)CSCCCC(C)O 62a_200000718107_100000747405 [1,1,0,0,0,0|1,0,0]=3 9815 B11R0.111 CCC(=O)CSCCCN(C)C 62a_100000747405_100000757444 [1,1,0,0,0,0|2,0,0]=4 9816 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000211751_100000747405 [1,1,0,0,0,0|2,0,0]=4 9817 B11R0.111 CCC(=O)CSCCOC(C)C 62a_100000747405_100000211751 [1,1,0,0,0,0|2,0,0]=4 9818 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000730970_100000747405 [1,1,0,0,0,0|2,0,0]=4 9819 B11R0.111 CCC(=O)CSCCSC(C)C 62a_100000747405_100000730970 [1,1,0,0,0,0|2,0,0]=4 9820 B11R0.111 CCC(=O)NCCCCN(C)C 240690a_100025707445_100000210414 [1,1,0,0,0,0|2,0,0]=4 9821 B11R0.111 CCC(=O)NCCCOC(C)C 11a_100000737246_100000210414 [1,1,0,0,0,0|2,0,0]=4 9822 B11R0.111 CCC(=O)NCCCOC(C)C 1626a_100000737246_100000210414 [1,1,0,0,0,0|2,0,0]=4 9823 B11R0.111 CCC(=O)NCCCOC(C)C 240690a_100000737246_100000210414 [1,1,0,0,0,0|2,0,0]=4 9824 B11R0.111 CCC(=O)NCCCOC(C)C 527a_100000737246_100000210414 [1,1,0,0,0,0|2,0,0]=4 9825 B11R0.111 CCC(=O)NCCNCC(C)C 270004a_100132302217_100000210432 [1,1,0,0,0,0|2,0,0]=4 9826 B11R0.111 CCC(=O)NCCNCC(C)C 34a_100132302217_100000210624 [1,1,0,0,0,0|2,0,0]=4 9827 B11R0.111 CCC(=O)NCCNCC(C)O 34a_100132302217_100011218427 [1,1,0,0,0,0|2,0,0]=4 9828 B11R0.111 CCC(=O)NCCNC[C@@H](C)O 34a_100132302217_100009817552 [1,1,0,0,0,0|2,0,0]=4 9829 B11R0.111 CCC(=O)NCCOCC(C)C 34a_200000158885_100000210624 [1,1,0,0,0,0|2,0,0]=4 9830 B11R0.111 CCC(=O)NCCOCC(C)C 7a_200000158885_100000210760 [1,1,0,0,0,0|2,0,0]=4 9831 B11R0.111 CCC(=O)NCCOCC(C)O 34a_200000158885_100011218427 [1,1,0,0,0,0|2,0,0]=4 9832 B11R0.111 CCC(=O)NCCOCC(C)O 7a_200000158885_100011218427 [1,1,0,0,0,0|2,0,0]=4 9833 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 34a_200000158885_100009817552 [1,1,0,0,0,0|2,0,0]=4 9834 B11R0.111 CCC(=O)NCCOC[C@@H](C)O 7a_200000158885_100009817552 [1,1,0,0,0,0|2,0,0]=4 9835 B11R0.111 CCC(=O)OCCOCC(C)C 7a_200000031056_100000210760 [1,1,0,0,0,0|2,0,0]=4 9836 B11R0.111 CCC(=O)OCCOCC(C)O 7a_200000031056_100011218427 [1,1,0,0,0,0|2,0,0]=4 9837 B11R0.111 CCC(=O)OCCOC[C@@H](C)O 7a_200000031056_100009817552 [1,1,0,0,0,0|2,0,0]=4 9838 B11R0.111 CCN(C)CCCCCC(C)C 2230a_100000225621_100000210682 [1,1,0,0,0,0|2,0,0]=4 9839 B11R0.111 CCN(C)CCCCCC(C)C 269982a_100000225621_100000210682 [1,1,0,0,0,0|2,0,0]=4 9840 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [1,1,0,0,0,0|1,0,0]=3 9841 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [1,1,0,0,0,0|1,0,0]=3 9842 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [1,1,0,0,0,0|1,0,0]=3 9843 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [1,1,0,0,0,0|1,0,0]=3 9844 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000210953_100000741757 [1,1,0,0,0,0|2,0,0]=4 9845 B11R0.111 CNC(=O)CCCNCC(C)C 2230a_100000740002_100000210760 [1,1,0,0,0,0|2,0,0]=4 9846 B11R0.111 CNC(=O)CCCNCC(C)C 270004a_100000740002_100000210432 [1,1,0,0,0,0|2,0,0]=4 9847 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000210953_100000741757 [1,1,0,0,0,0|2,0,0]=4 9848 B11R0.111 CNC(=O)CCCNCC(C)C 34a_100000740002_100000210624 [1,1,0,0,0,0|2,0,0]=4 9849 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000210904_100000741757 [1,1,0,0,0,0|2,0,0]=4 9850 B11R0.111 CNC(=O)CCCNCC(C)O 2230a_100000740002_100011218427 [1,1,0,0,0,0|2,0,0]=4 9851 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000210904_100000741757 [1,1,0,0,0,0|2,0,0]=4 9852 B11R0.111 CNC(=O)CCCNCC(C)O 34a_100000740002_100011218427 [1,1,0,0,0,0|2,0,0]=4 9853 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 2230a_100000740002_100009817552 [1,1,0,0,0,0|2,0,0]=4 9854 B11R0.111 CNC(=O)CCCNC[C@@H](C)O 34a_100000740002_100009817552 [1,1,0,0,0,0|2,0,0]=4 9855 B11R0.111 CNC(=O)CCCOCC(C)Br 34a_100012180447_100000741757 [1,1,0,0,0,0|2,0,0]=4 9856 B11R0.111 CNC(=O)CCCOCC(C)C 34a_100000210257_100000741757 [1,1,0,0,0,0|2,0,0]=4 9857 B11R0.111 CNC(=O)CCCOCC(C)F 34a_100015925927_100000741757 [1,1,0,0,0,0|2,0,0]=4 9858 B11R0.111 CNC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000741757 [1,1,0,0,0,0|2,0,0]=4 9859 B11R0.111 CNC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000741757 [1,1,0,0,0,0|2,0,0]=4 9860 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000210624_100000741757 [1,1,0,0,0,0|2,0,0]=4 9861 B11R0.111 CNC(=O)CCCSCC(C)C 62a_100000741757_100000210760 [1,1,0,0,0,0|2,0,0]=4 9862 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100000741757_100011218427 [1,1,0,0,0,0|2,0,0]=4 9863 B11R0.111 CNC(=O)CCCSCC(C)O 62a_100011218427_100000741757 [1,1,0,0,0,0|2,0,0]=4 9864 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100000741757_100009817552 [1,1,0,0,0,0|2,0,0]=4 9865 B11R0.111 CNC(=O)CCCSC[C@@H](C)O 62a_100009817552_100000741757 [1,1,0,0,0,0|2,0,0]=4 9866 B11R0.111 CNC(=O)CCNCCC(C)C 2230a_100000738227_100000210312 [1,1,0,0,0,0|2,0,0]=4 9867 B11R0.111 CNC(=O)CCNCCC(C)C 269862a_100000738227_100000185833 [1,1,0,0,0,0|2,0,0]=4 9868 B11R0.111 CNC(=O)CCNCCC(C)C 34a_100000738227_100000210312 [1,1,0,0,0,0|2,0,0]=4 9869 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_100000738227_100012276601 [1,1,0,0,0,0|2,0,0]=4 9870 B11R0.111 CNC(=O)CCNCCC(C)O 2230a_200000755665_100000737683 [1,1,0,0,0,0|2,0,0]=4 9871 B11R0.111 CNC(=O)CCNCCC(C)O 34a_100000738227_100012276601 [1,1,0,0,0,0|2,0,0]=4 9872 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [1,1,0,0,0,0|2,0,0]=4 9873 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [1,1,0,0,0,0|2,0,0]=4 9874 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [1,1,0,0,0,0|2,0,0]=4 9875 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [1,1,0,0,0,0|2,0,0]=4 9876 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [1,1,0,0,0,0|2,0,0]=4 9877 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [1,1,0,0,0,0|2,0,0]=4 9878 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000210312_100000737683 [1,1,0,0,0,0|2,0,0]=4 9879 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000737683_100000210312 [1,1,0,0,0,0|2,0,0]=4 9880 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100000737683_100012276601 [1,1,0,0,0,0|2,0,0]=4 9881 B11R0.111 CNC(=O)CCSCCC(C)O 62a_100012276601_100000737683 [1,1,0,0,0,0|2,0,0]=4 9882 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [1,1,0,0,0,0|2,0,0]=4 9883 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [1,1,0,0,0,0|2,0,0]=4 9884 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [1,1,0,0,0,0|2,0,0]=4 9885 B11R0.111 CNC(=O)CNCCCC(C)O 2230a_100000693194_200000718107 [1,1,0,0,0,0|2,0,0]=4 9886 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [1,1,0,0,0,0|2,0,0]=4 9887 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [1,1,0,0,0,0|2,0,0]=4 9888 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [1,1,0,0,0,0|2,0,0]=4 9889 B11R0.111 CNC(=O)COCCCC(C)O 34a_100000750040_200000718107 [1,1,0,0,0,0|2,0,0]=4 9890 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [1,1,0,0,0,0|2,0,0]=4 9891 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [1,1,0,0,0,0|2,0,0]=4 9892 B11R0.111 CNC(=O)CSCCCC(C)O 62a_100000183359_200000718107 [1,1,0,0,0,0|2,0,0]=4 9893 B11R0.111 CNC(=O)CSCCCC(C)O 62a_200000718107_100000183359 [1,1,0,0,0,0|2,0,0]=4 9894 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,1,0,0,0,0|0,0,1]=3 9895 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,1,0,0,0,0|0,0,1]=3 9896 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,1,0,0,0,0|0,0,1]=3 9897 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [1,1,0,0,0,0|1,0,0]=3 9898 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [1,1,0,0,0,0|1,0,0]=3 9899 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [1,1,0,0,0,0|1,0,1]=4 9900 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [1,1,0,0,0,0|1,0,0]=3 9901 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [1,1,0,0,0,0|1,0,0]=3 9902 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [1,1,0,0,0,0|1,0,0]=3 9903 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [1,1,0,0,0,0|1,0,0]=3 9904 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [1,1,0,0,0,0|1,0,0]=3 9905 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [1,1,0,0,0,0|1,0,0]=3 9906 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [1,1,0,0,0,0|1,0,0]=3 9907 B11R0.111 COC(=O)CCCNCC(C)C 2230a_100000210953_100011218270 [1,1,0,0,0,0|1,0,0]=3 9908 B11R0.111 COC(=O)CCCNCC(C)C 34a_100000210953_100000742333 [1,1,0,0,0,0|1,0,0]=3 9909 B11R0.111 COC(=O)CCCNCC(C)O 2230a_100000210904_100011218270 [1,1,0,0,0,0|1,0,0]=3 9910 B11R0.111 COC(=O)CCCNCC(C)O 34a_100000210904_100000742333 [1,1,0,0,0,0|1,0,0]=3 9911 B11R0.111 COC(=O)CCCNCC(F)F 34a_100000765723_100000742333 [1,1,0,0,0,0|2,0,0]=4 9912 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [1,1,0,0,0,0|1,0,1]=4 9913 B11R0.111 COC(=O)CCCOCC(C)Br 34a_100012180447_100000742333 [1,1,0,0,0,0|1,0,0]=3 9914 B11R0.111 COC(=O)CCCOCC(C)C 34a_100000210257_100000742333 [1,1,0,0,0,0|1,0,0]=3 9915 B11R0.111 COC(=O)CCCOCC(C)F 34a_100015925927_100000742333 [1,1,0,0,0,0|1,0,0]=3 9916 B11R0.111 COC(=O)CCCOCC(F)F 34a_100000743014_100000742333 [1,1,0,0,0,0|2,0,0]=4 9917 B11R0.111 COC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000742333 [1,1,0,0,0,0|1,0,0]=3 9918 B11R0.111 COC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000742333 [1,1,0,0,0,0|1,0,0]=3 9919 B11R0.111 COC(=O)CCCSCC(C)C 62a_100000210624_100011218270 [1,1,0,0,0,0|1,0,0]=3 9920 B11R0.111 COC(=O)CCCSCC(C)C 62a_100011218270_100000210760 [1,1,0,0,0,0|1,0,0]=3 9921 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218270_100011218427 [1,1,0,0,0,0|1,0,0]=3 9922 B11R0.111 COC(=O)CCCSCC(C)O 62a_100011218427_100011218270 [1,1,0,0,0,0|1,0,0]=3 9923 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011218270_100011934356 [1,1,0,0,0,0|2,0,0]=4 9924 B11R0.111 COC(=O)CCCSCC(F)F 62a_100011934356_100011218270 [1,1,0,0,0,0|2,0,0]=4 9925 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011218270 [1,1,0,0,0,0|1,0,0]=3 9926 B11R0.111 COC(=O)CCCSC[C@@H](C)O 62a_100011218270_100009817552 [1,1,0,0,0,0|1,0,0]=3 9927 B11R0.111 COC(=O)CCNCCC(C)O 2230a_200000755665_100000204255 [1,1,0,0,0,0|1,0,0]=3 9928 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [1,1,0,0,0,0|1,0,1]=4 9929 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [1,1,0,0,0,0|1,0,1]=4 9930 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [1,1,0,0,0,0|1,0,0]=3 9931 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [1,1,0,0,0,0|1,0,0]=3 9932 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [1,1,0,0,0,0|1,0,0]=3 9933 B11R0.111 COC(=O)CCOCCC(F)F 34a_100103093639_100000742370 [1,1,0,0,0,0|2,0,0]=4 9934 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [1,1,0,0,0,0|1,0,0]=3 9935 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [1,1,0,0,0,0|1,0,1]=4 9936 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [1,1,0,0,0,0|1,0,1]=4 9937 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [1,1,0,0,0,0|1,0,0]=3 9938 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [1,1,0,0,0,0|1,0,0]=3 9939 B11R0.111 COC(=O)CCSCCC(C)O 62a_100000204255_100012276601 [1,1,0,0,0,0|1,0,0]=3 9940 B11R0.111 COC(=O)CCSCCC(C)O 62a_100012276601_100000204255 [1,1,0,0,0,0|1,0,0]=3 9941 B11R0.111 COC(=O)CCSCCN(C)C 62a_100000204255_100000755713 [1,1,0,0,0,0|2,0,0]=4 9942 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000204255_100000709892 [1,1,0,0,0,0|2,0,0]=4 9943 B11R0.111 COC(=O)CCSCOC(C)C 62a_100000709892_100000204255 [1,1,0,0,0,0|2,0,0]=4 9944 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [1,1,0,0,0,0|1,0,0]=3 9945 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [1,1,0,0,0,0|1,0,0]=3 9946 B11R0.111 COC(=O)CNCCCS(=O)C 2230a_200000753449_100000747449 [1,1,0,0,0,0|2,0,0]=4 9947 B11R0.111 COC(=O)CNCCOC(C)C 2230a_100000701111_100000747449 [1,1,0,0,0,0|2,0,0]=4 9948 B11R0.111 COC(=O)CNCCOC(C)C 34a_100000701111_100000747449 [1,1,0,0,0,0|2,0,0]=4 9949 B11R0.111 COC(=O)CNCCSC(C)C 2230a_100000731138_100000747449 [1,1,0,0,0,0|2,0,0]=4 9950 B11R0.111 COC(=O)CNCCSC(C)C 34a_100000731138_100000747449 [1,1,0,0,0,0|2,0,0]=4 9951 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [1,1,0,0,0,0|1,0,1]=4 9952 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [1,1,0,0,0,0|1,0,1]=4 9953 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [1,1,0,0,0,0|1,0,0]=3 9954 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [1,1,0,0,0,0|1,0,0]=3 9955 B11R0.111 COC(=O)COCCNC(C)C 2230a_100138425928_100000090808 [1,1,0,0,0,0|2,0,0]=4 9956 B11R0.111 COC(=O)COCCNC(C)C 34a_100000224655_100000747449 [1,1,0,0,0,0|2,0,0]=4 9957 B11R0.111 COC(=O)COCCNC(C)C 34a_100138425928_100000090808 [1,1,0,0,0,0|2,0,0]=4 9958 B11R0.111 COC(=O)COCCOC(C)C 34a_100000211219_100000747449 [1,1,0,0,0,0|2,0,0]=4 9959 B11R0.111 COC(=O)COCCOC(C)C 34a_100000212225_100000090808 [1,1,0,0,0,0|2,0,0]=4 9960 B11R0.111 COC(=O)COCCOC(C)C 7a_100000211219_100000747449 [1,1,0,0,0,0|2,0,0]=4 9961 B11R0.111 COC(=O)COCCSC(C)C 34a_200011212901_100000747449 [1,1,0,0,0,0|2,0,0]=4 9962 B11R0.111 COC(=O)COCCSC(C)C 62a_100000090808_100000210206 [1,1,0,0,0,0|2,0,0]=4 9963 B11R0.111 COC(=O)COCCSC(C)C 62a_100000210206_100000090808 [1,1,0,0,0,0|2,0,0]=4 9964 B11R0.111 COC(=O)COCCSC(C)C 7a_200011212901_100000747449 [1,1,0,0,0,0|2,0,0]=4 9965 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [1,1,0,0,0,0|1,0,1]=4 9966 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [1,1,0,0,0,0|1,0,1]=4 9967 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [1,1,0,0,0,0|1,0,0]=3 9968 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [1,1,0,0,0,0|1,0,0]=3 9969 B11R0.111 COC(=O)CSCCCC(C)O 62a_100000747449_200000718107 [1,1,0,0,0,0|1,0,0]=3 9970 B11R0.111 COC(=O)CSCCCC(C)O 62a_200000718107_100000747449 [1,1,0,0,0,0|1,0,0]=3 9971 B11R0.111 COC(=O)CSCCCN(C)C 62a_100000747449_100000757444 [1,1,0,0,0,0|2,0,0]=4 9972 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000211751_100000747449 [1,1,0,0,0,0|2,0,0]=4 9973 B11R0.111 COC(=O)CSCCOC(C)C 62a_100000747449_100000211751 [1,1,0,0,0,0|2,0,0]=4 9974 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000730970_100000747449 [1,1,0,0,0,0|2,0,0]=4 9975 B11R0.111 COC(=O)CSCCSC(C)C 62a_100000747449_100000730970 [1,1,0,0,0,0|2,0,0]=4 9976 B11R0.111 COC(=O)NCCOCC(C)C 34a_100000757965_100000210624 [1,1,0,0,0,0|2,0,0]=4 9977 B11R0.111 COC(=O)NCCOCC(C)O 34a_100000757965_100011218427 [1,1,0,0,0,0|2,0,0]=4 9978 B11R0.111 COC(=O)NCCOC[C@@H](C)O 34a_100000757965_100009817552 [1,1,0,0,0,0|2,0,0]=4 9979 B11R0.111 COC(=O)OCCOCC(C)C 34a_100010262106_100000210624 [1,1,0,0,0,0|2,0,0]=4 9980 B11R0.111 COC(=O)OCCOCC(C)O 34a_100010262106_100011218427 [1,1,0,0,0,0|2,0,0]=4 9981 B11R0.111 COC(=O)OCCOC[C@@H](C)O 34a_100010262106_100009817552 [1,1,0,0,0,0|2,0,0]=4 9982 B11R0.111 COC(=O)OCSCCC(C)C 62a_100000210312_100000139417 [1,1,0,0,0,0|2,0,0]=4 9983 B11R0.111 COC(=O)OCSCCC(C)O 62a_100012276601_100000139417 [1,1,0,0,0,0|2,0,0]=4 9984 B11R0.124 C=CC(CCCCCCC)OC 34a_200011934235_200000210301 [1,1,0,0,0,0|1,0,1]=4 9985 B11R0.124 C=CC(CCCCCCC)OC 7a_200011934235_200000210301 [1,1,0,0,0,0|1,0,1]=4 9986 B11R0.124 C=CC(CCCCCCC)O[13CH3] 34a_200011934235_200025704644 [1,1,0,0,0,0|1,0,1]=4 9987 B11R0.124 C=CC(CCCCCCC)O[13CH3] 7a_200011934235_200025704644 [1,1,0,0,0,0|1,0,1]=4 9988 B11R0.124 CCCCCCCC(CC)NC 270004a_106832991635_200011217162 [1,1,0,0,0,0|1,0,1]=4 9989 B11R0.124 CCCCCCCC(CC)OC 34a_200011217053_200000210301 [1,1,0,0,0,0|0,0,2]=4 9990 B11R0.124 CCCCCCCC(CC)OC 7a_200011217053_200000210301 [1,1,0,0,0,0|0,0,2]=4 9991 B11R0.124 CCCCCCCC(CC)O[13CH3] 34a_200011217053_200025704644 [1,1,0,0,0,0|0,0,2]=4 9992 B11R0.124 CCCCCCCC(CC)O[13CH3] 7a_200011217053_200025704644 [1,1,0,0,0,0|0,0,2]=4 9993 B11R0.124 CCCCCCCN(CC)CC 2230a_100000228213_100000210202 [1,1,0,0,0,0|2,0,0]=4 9994 B11R0.124 CCCCCCCN(CC)CC 2230a_100000724800_100000210681 [1,1,0,0,0,0|2,0,0]=4 9995 B11R0.124 CCCCCCCN(CC)CC 269956a_100000042499_100000210614 [1,1,0,0,0,0|2,0,0]=4 9996 B11R0.124 CCCCCCCN(CC)CC 269982a_100000228213_100000204670 [1,1,0,0,0,0|2,0,0]=4 9997 B11R0.124 CCCCCCCN(CC)CC 269982a_100000724800_100000210681 [1,1,0,0,0,0|2,0,0]=4 9998 B11R0.124 CCCCCCCN(CC)CF 269982a_100000228213_100015361967 [1,1,0,0,0,0|2,0,0]=4 9999 B11R0.124 CCOCCCCN(CC)N=O 34a_200000035056_100000210202 [1,1,0,0,0,0|2,0,0]=4 10000 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [1,1,0,0,0,0|1,0,1]=4 10001 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [1,1,0,0,0,0|1,0,1]=4 10002 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [1,1,0,0,0,0|1,0,1]=4 10003 B11R0.154 CCC(=O)CN(C)CCCCO 269982a_100000717598_100000747405 [1,1,0,0,0,0|2,0,0]=4 10004 B11R0.154 CCC(=O)CN(C)CCCOC 269982a_100000224831_100000747405 [1,1,0,0,0,0|2,0,0]=4 10005 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,1,0,0,0,0|0,0,1]=3 10006 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,1,0,0,0,0|0,0,1]=3 10007 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [1,1,0,0,0,0|1,0,1]=4 10008 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,1,0,0,0,0|1,0,1]=4 10009 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,1,0,0,0,0|0,0,1]=3 10010 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,1,0,0,0,0|0,0,1]=3 10011 B11R0.154 CCCCCC(C)NC(=O)CC 11a_100000211957_100000210414 [1,1,0,0,0,0|1,0,0]=3 10012 B11R0.154 CCCCCC(C)NC(=O)CC 1626a_100000211957_100000210414 [1,1,0,0,0,0|1,0,0]=3 10013 B11R0.154 CCCCCC(C)NC(=O)CC 240690a_100000211957_100000210414 [1,1,0,0,0,0|1,0,0]=3 10014 B11R0.154 CCCCCC(C)NC(=O)CC 527a_100000211957_100000210414 [1,1,0,0,0,0|1,0,0]=3 10015 B11R0.154 CCCCCC(C)NC(=O)CO 240690a_100000211957_100000210174 [1,1,0,0,0,0|2,0,0]=4 10016 B11R0.154 CCCCCC(C)NC(=O)CO 527a_100000211957_100000210174 [1,1,0,0,0,0|2,0,0]=4 10017 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100000211957_106832991635 [1,1,0,0,0,0|2,0,0]=4 10018 B11R0.154 CCCCCC(C)NC(=O)NC 2708a_100102657272_100000211957 [1,1,0,0,0,0|2,0,0]=4 10019 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100000211957_100102657272 [1,1,0,0,0,0|2,0,0]=4 10020 B11R0.154 CCCCCC(C)NC(=O)NC 273464a_100102657272_100000211957 [1,1,0,0,0,0|2,0,0]=4 10021 B11R0.154 CCCCCC(C)NC(=O)NC 512a_100000211957_100102657272 [1,1,0,0,0,0|2,0,0]=4 10022 B11R0.154 CCCCCC(C)NC(=O)NC 512a_106832991638_100000211957 [1,1,0,0,0,0|2,0,0]=4 10023 B11R0.154 CCCCCN(C)CC(=O)CC 269982a_100000223495_100000747405 [1,1,0,0,0,0|1,0,0]=3 10024 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000189611_100000210326 [1,1,0,0,0,0|2,0,0]=4 10025 B11R0.154 CCCCCN(C)CC(=O)NC 2230a_100000223495_100000183359 [1,1,0,0,0,0|2,0,0]=4 10026 B11R0.154 CCCCCN(C)CC(=O)NC 269982a_100000223495_100000183359 [1,1,0,0,0,0|2,0,0]=4 10027 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000198492_100000210326 [1,1,0,0,0,0|1,0,0]=3 10028 B11R0.154 CCCCCN(C)CC(=O)OC 2230a_100000223495_100000747449 [1,1,0,0,0,0|1,0,0]=3 10029 B11R0.154 CCCCCN(C)CC(=O)OC 269982a_100000223495_100000747449 [1,1,0,0,0,0|1,0,0]=3 10030 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [1,1,0,0,0,0|1,0,1]=4 10031 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [1,1,0,0,0,0|1,0,1]=4 10032 B11R0.154 CCCCNC(C)CC(=O)OC 2230a_100000102301_100009817358 [1,1,0,0,0,0|1,0,0]=3 10033 B11R0.154 CCCCNC(C)CC(=O)OC 7a_106832991798_100009817358 [1,1,0,0,0,0|1,0,0]=3 10034 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [1,1,0,0,0,0|1,0,1]=4 10035 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [1,1,0,0,0,0|1,0,0]=3 10036 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [1,1,0,0,0,0|1,0,0]=3 10037 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100000210211_100009817358 [1,1,0,0,0,0|1,0,0]=3 10038 B11R0.154 CCCCSC(C)CC(=O)OC 62a_100009817358_100000210210 [1,1,0,0,0,0|1,0,0]=3 10039 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [1,1,0,0,0,0|1,0,1]=4 10040 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [1,1,0,0,0,0|1,0,1]=4 10041 B11R0.154 CCCOC[C@H](O)CC(=O)OC 34a_100000210258_100000754131 [1,1,0,0,0,0|1,0,0]=3 10042 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [1,1,0,0,0,0|1,0,1]=4 10043 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [1,1,0,0,0,0|1,0,1]=4 10044 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [1,1,0,0,0,0|1,0,1]=4 10045 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [1,1,0,0,0,0|1,0,1]=4 10046 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000210303_100000754131 [1,1,0,0,0,0|1,0,0]=3 10047 B11R0.154 CCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210303 [1,1,0,0,0,0|1,0,0]=3 10048 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [1,1,0,0,0,0|1,0,1]=4 10049 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [1,1,0,0,0,0|1,0,1]=4 10050 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [1,1,0,0,0,0|1,0,1]=4 10051 B11R0.154 CCOCCN(C)CC(=O)OC 2230a_100000198492_100011215890 [1,1,0,0,0,0|2,0,0]=4 10052 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100000739092_100009817358 [1,1,0,0,0,0|2,0,0]=4 10053 B11R0.154 CCOCSC(C)CC(=O)OC 62a_100009817358_100000739092 [1,1,0,0,0,0|2,0,0]=4 10054 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [1,1,0,0,0,0|1,0,1]=4 10055 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [1,1,0,0,0,0|1,0,1]=4 10056 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [1,1,0,0,0,0|1,0,1]=4 10057 B11R0.154 CCSCCN(C)CC(=O)OC 2230a_100000198492_100000757381 [1,1,0,0,0,0|2,0,0]=4 10058 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [1,1,0,0,0,0|1,0,1]=4 10059 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [1,1,0,0,0,0|1,0,1]=4 10060 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [1,1,0,0,0,0|1,0,1]=4 10061 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [1,1,0,0,0,0|1,0,1]=4 10062 B11R0.154 COC(=O)CC(C)NCCCF 2230a_100015189416_100009817358 [1,1,0,0,0,0|2,0,0]=4 10063 B11R0.154 COC(=O)CC(C)NCCCF 34a_100015189416_100009817358 [1,1,0,0,0,0|2,0,0]=4 10064 B11R0.154 COC(=O)CC(C)NCCSC 2230a_100020590264_100009817358 [1,1,0,0,0,0|2,0,0]=4 10065 B11R0.154 COC(=O)CC(C)OCCCBr 34a_100011217188_100009817358 [1,1,0,0,0,0|2,0,0]=4 10066 B11R0.154 COC(=O)CC(C)OCCCCl 34a_100000230001_100009817358 [1,1,0,0,0,0|2,0,0]=4 10067 B11R0.154 COC(=O)CC(C)OCCCF 34a_100000759539_100009817358 [1,1,0,0,0,0|2,0,0]=4 10068 B11R0.154 COC(=O)CC(C)OCCCN 34a_100000182051_100009817358 [1,1,0,0,0,0|2,0,0]=4 10069 B11R0.154 COC(=O)CC(C)OCCSC 34a_100000230434_100009817358 [1,1,0,0,0,0|2,0,0]=4 10070 B11R0.154 COC(=O)CC(C)OCCSC 7a_100000230434_100009817358 [1,1,0,0,0,0|2,0,0]=4 10071 B11R0.154 COC(=O)CC(C)SCCCF 62a_100009817358_100011934791 [1,1,0,0,0,0|2,0,0]=4 10072 B11R0.154 COC(=O)CC(C)SCCCF 62a_100011934791_100009817358 [1,1,0,0,0,0|2,0,0]=4 10073 B11R0.154 COC(=O)CC(C)SCCCO 62a_100009817358_100011215043 [1,1,0,0,0,0|2,0,0]=4 10074 B11R0.154 COC(=O)CC(C)SCCCO 62a_100011215043_100009817358 [1,1,0,0,0,0|2,0,0]=4 10075 B11R0.154 COC(=O)CC(C)SCCSC 62a_100000212216_100009817358 [1,1,0,0,0,0|2,0,0]=4 10076 B11R0.154 COC(=O)CC(C)SCCSC 62a_100009817358_100000751147 [1,1,0,0,0,0|2,0,0]=4 10077 B11R0.154 COC(=O)CN(C)CCCCF 2230a_100000198492_100000729493 [1,1,0,0,0,0|2,0,0]=4 10078 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000198492_100000210776 [1,1,0,0,0,0|2,0,0]=4 10079 B11R0.154 COC(=O)CN(C)CCCCO 2230a_100000717598_100000747449 [1,1,0,0,0,0|2,0,0]=4 10080 B11R0.154 COC(=O)CN(C)CCCCO 269982a_100000717598_100000747449 [1,1,0,0,0,0|2,0,0]=4 10081 B11R0.154 COC(=O)C[C@@H](O)CNCCF 34a_100000724931_100000754131 [1,1,0,0,0,0|2,0,0]=4 10082 B11R0.154 COC(=O)C[C@@H](O)CNCCO 34a_100016990907_100000754131 [1,1,0,0,0,0|2,0,0]=4 10083 B11R0.154 COC(=O)C[C@@H](O)COCCBr 34a_100000211926_100000754131 [1,1,0,0,0,0|2,0,0]=4 10084 B11R0.154 COC(=O)C[C@@H](O)COCCN 34a_100000210304_100000754131 [1,1,0,0,0,0|2,0,0]=4 10085 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100000754131_100011217306 [1,1,0,0,0,0|2,0,0]=4 10086 B11R0.154 COC(=O)C[C@@H](O)CSCCF 62a_100011217306_100000754131 [1,1,0,0,0,0|2,0,0]=4 10087 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000211926_100000754131 [1,1,0,0,0,0|2,0,0]=4 10088 B11R0.154 COC(=O)C[C@@H](O)CSCCO 62a_100000754131_100000211926 [1,1,0,0,0,0|2,0,0]=4 10089 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100000754131_100011218213 [1,1,0,0,0,0|2,0,0]=4 10090 B11R0.154 COC(=O)C[C@@H](O)CSCSC 62a_100011218213_100000754131 [1,1,0,0,0,0|2,0,0]=4 10091 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,1,0,0,0,0|1,0,1]=4 10092 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,1,0,0,0,0|1,0,1]=4 10093 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000198492_100000740836 [1,1,0,0,0,0|2,0,0]=4 10094 B11R0.154 COCCCN(C)CC(=O)OC 2230a_100000224831_100000747449 [1,1,0,0,0,0|2,0,0]=4 10095 B11R0.154 COCCCN(C)CC(=O)OC 269982a_100000224831_100000747449 [1,1,0,0,0,0|2,0,0]=4 10096 B11R0.154 COCCNC(C)CC(=O)OC 2230a_100000209980_100009817358 [1,1,0,0,0,0|2,0,0]=4 10097 B11R0.154 COCCOC(C)CC(=O)OC 34a_100000210237_100009817358 [1,1,0,0,0,0|2,0,0]=4 10098 B11R0.154 COCCSC(C)CC(=O)OC 62a_100000233755_100009817358 [1,1,0,0,0,0|2,0,0]=4 10099 B11R0.154 COCCSC(C)CC(=O)OC 62a_100009817358_100000233755 [1,1,0,0,0,0|2,0,0]=4 10100 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000754131_100000766300 [1,1,0,0,0,0|2,0,0]=4 10101 B11R0.154 COCSC[C@H](O)CC(=O)OC 62a_100000766300_100000754131 [1,1,0,0,0,0|2,0,0]=4 10102 B13R0.2 C#CCCCCCCCC(=O)C#CC 1458a_100000763181_100153394163 [0,2,0,0,0,0|1,0,1]=4 10103 B13R0.2 C#CCCCCCCCC(=O)C=CC 1458a_100000210699_100153394163 [0,2,0,0,0,0|1,0,1]=4 10104 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,2,0,0,0,0|1,0,0]=3 10105 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,2,0,0,0,0|1,0,0]=3 10106 B13R0.2 C#CCCCCCCCC(=O)CCF 1458a_100000087357_100011217306 [0,2,0,0,0,0|2,0,0]=4 10107 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,2,0,0,0,0|2,0,0]=4 10108 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,2,0,0,0,0|2,0,0]=4 10109 B13R0.2 C#CCCCCCCCC(=O)COC 1458a_100000210968_100153394163 [0,2,0,0,0,0|2,0,0]=4 10110 B13R0.2 C#CCCCCCCCC(=O)CSC 1458a_100000184570_100153394163 [0,2,0,0,0,0|2,0,0]=4 10111 B13R0.2 C#CCCCCCCCC(=O)NCC 11a_100015525214_100000087357 [0,2,0,0,0,0|1,0,0]=3 10112 B13R0.2 C#CCCCCCCCC(=O)NCC 240690a_100015525214_100000087357 [0,2,0,0,0,0|1,0,0]=3 10113 B13R0.2 C#CCCCCCCCC(=O)NCC 527a_100015525214_100000087357 [0,2,0,0,0,0|1,0,0]=3 10114 B13R0.2 C#CCCCCCCCC(=O)NNC 22a_100016993582_100000087357 [0,2,0,0,0,0|2,0,0]=4 10115 B13R0.2 C#CCCCCCNCC(=O)NCC 2230a_100016988866_100012094781 [0,2,0,0,0,0|1,0,1]=4 10116 B13R0.2 C#CCCCCCOCC(=O)CCC 7a_100000766912_100000747444 [0,2,0,0,0,0|1,0,1]=4 10117 B13R0.2 C#CCCCCCOCC(=O)NCC 34a_100000766912_100000183381 [0,2,0,0,0,0|1,0,1]=4 10118 B13R0.2 C#CCCCCCOCC(=O)NCC 7a_100000766912_100000183381 [0,2,0,0,0,0|1,0,1]=4 10119 B13R0.2 C#CCCCCCOCC(=O)OCC 34a_100000766912_100000188475 [0,2,0,0,0,0|0,0,1]=3 10120 B13R0.2 C#CCCCCCOCC(=O)OCC 7a_100000766912_100000188475 [0,2,0,0,0,0|0,0,1]=3 10121 B13R0.2 C#CCCCCCSCC(=O)CCC 62a_100000747444_100012094781 [0,2,0,0,0,0|1,0,1]=4 10122 B13R0.2 C#CCCCCCSCC(=O)CCC 62a_100012094781_100000747444 [0,2,0,0,0,0|1,0,1]=4 10123 B13R0.2 C#CCCCCCSCC(=O)NCC 62a_100000183381_100012094781 [0,2,0,0,0,0|1,0,1]=4 10124 B13R0.2 C#CCCCCCSCC(=O)NCC 62a_100012094781_100000183381 [0,2,0,0,0,0|1,0,1]=4 10125 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100000188475_100012094781 [0,2,0,0,0,0|0,0,1]=3 10126 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100012094781_100000188475 [0,2,0,0,0,0|0,0,1]=3 10127 B13R0.2 C#CCCCCNCCC(=O)NCC 2230a_100000706060_100000737597 [0,2,0,0,0,0|1,0,1]=4 10128 B13R0.2 C#CCCCCNCCC(=O)NCC 34a_100025743525_100010269958 [0,2,0,0,0,0|1,0,1]=4 10129 B13R0.2 C#CCCCCNCCC(=O)OCC 2230a_100000706060_100011206558 [0,2,0,0,0,0|0,0,1]=3 10130 B13R0.2 C#CCCCCNCCC(=O)OCC 34a_100000706060_100000765890 [0,2,0,0,0,0|0,0,1]=3 10131 B13R0.2 C#CCCCCOCCC(=O)NCC 7a_100000766709_100000737597 [0,2,0,0,0,0|1,0,1]=4 10132 B13R0.2 C#CCCCCOCCC(=O)OCC 34a_100000766709_100000765890 [0,2,0,0,0,0|0,0,1]=3 10133 B13R0.2 C#CCCCCOCCC(=O)OCC 7a_100000766709_100011206558 [0,2,0,0,0,0|0,0,1]=3 10134 B13R0.2 C#CCCCCSCCC(=O)NCC 62a_100000737597_100010269958 [0,2,0,0,0,0|1,0,1]=4 10135 B13R0.2 C#CCCCCSCCC(=O)NCC 62a_100010269958_100000737597 [0,2,0,0,0,0|1,0,1]=4 10136 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100000765890_100010269958 [0,2,0,0,0,0|0,0,1]=3 10137 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100010269958_100000765890 [0,2,0,0,0,0|0,0,1]=3 10138 B13R0.2 C#CCCCCSCOC(=O)OCC 62a_100010269958_100000075025 [0,2,0,0,0,0|0,0,2]=4 10139 B13R0.2 C#CCCCNCCCC(=O)OCC 34a_100000718082_100009991533 [0,2,0,0,0,0|0,0,1]=3 10140 B13R0.2 C#CCCCOCCCC(=O)OCC 34a_100000215630_100009991533 [0,2,0,0,0,0|0,0,1]=3 10141 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100000215630_100011215271 [0,2,0,0,0,0|0,0,1]=3 10142 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100012001163_100011215417 [0,2,0,0,0,0|0,0,1]=3 10143 B13R0.2 C#CCCCOCCNC(=O)OCC 34a_100000158857_100000695029 [0,2,0,0,0,0|0,0,2]=4 10144 B13R0.2 C#CCCCOCCNC(=O)OCC 7a_100000215630_200011445536 [0,2,0,0,0,0|0,0,2]=4 10145 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100009991533_100011215417 [0,2,0,0,0,0|0,0,1]=3 10146 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100011215417_100009991533 [0,2,0,0,0,0|0,0,1]=3 10147 B13R0.2 C#CCCCSCCNC(=O)OCC 62a_100011215417_200011445536 [0,2,0,0,0,0|0,0,2]=4 10148 B13R0.2 C#CCCNCCCCC(=O)OCC 34a_100000755551_100000750268 [0,2,0,0,0,0|0,0,1]=3 10149 B13R0.2 C#CCCNCCOCC(=O)OCC 34a_100000755551_100000088970 [0,2,0,0,0,0|0,0,2]=4 10150 B13R0.2 C#CCCOCCCCC(=O)OCC 34a_100011215631_100000750268 [0,2,0,0,0,0|0,0,1]=3 10151 B13R0.2 C#CCCOCCOCC(=O)OCC 34a_100011215631_100000088970 [0,2,0,0,0,0|0,0,2]=4 10152 B13R0.2 C#CCCOCCSCC(=O)OCC 7a_200000230590_100000688953 [0,2,0,0,0,0|0,0,2]=4 10153 B13R0.2 C#CCCSCCCCC(=O)OCC 62a_100000688953_100000750268 [0,2,0,0,0,0|0,0,1]=3 10154 B13R0.2 C#CCCSCCCCC(=O)OCC 62a_100000750268_100000688953 [0,2,0,0,0,0|0,0,1]=3 10155 B13R0.2 C#CCCSCCOCC(=O)OCC 62a_100000088970_100000688953 [0,2,0,0,0,0|0,0,2]=4 10156 B13R0.2 C#CCCSCCOCC(=O)OCC 62a_100000688953_100000088970 [0,2,0,0,0,0|0,0,2]=4 10157 B13R0.2 C#CCNCCCCCC(=O)OCC 34a_100000212058_100000755133 [0,2,0,0,0,0|0,0,1]=3 10158 B13R0.2 C#CCNCCCOCC(=O)OCC 34a_100000212058_100009893628 [0,2,0,0,0,0|0,0,2]=4 10159 B13R0.2 C#CCOCCCCCC(=O)OCC 34a_100000210247_100000755133 [0,2,0,0,0,0|0,0,1]=3 10160 B13R0.2 C#CCOCCCCCC(=O)OCC 7a_100011214988_100000038162 [0,2,0,0,0,0|0,0,1]=3 10161 B13R0.2 C#CCOCCCOCC(=O)OCC 34a_100000210247_100009893628 [0,2,0,0,0,0|0,0,2]=4 10162 B13R0.2 C#CCOCCNCCC(=O)OCC 2230a_100000700922_100011206558 [0,2,0,0,0,0|0,0,2]=4 10163 B13R0.2 C#CCOCCNCCC(=O)OCC 34a_100000700922_100000765890 [0,2,0,0,0,0|0,0,2]=4 10164 B13R0.2 C#CCOCCOCCC(=O)OCC 34a_100000054580_100000765890 [0,2,0,0,0,0|0,0,2]=4 10165 B13R0.2 C#CCOCCOCCC(=O)OCC 7a_100000054580_100011206558 [0,2,0,0,0,0|0,0,2]=4 10166 B13R0.2 C#CCOCCSCCC(=O)OCC 62a_100000765890_100010402529 [0,2,0,0,0,0|0,0,2]=4 10167 B13R0.2 C#CCOCCSCCC(=O)OCC 62a_100010402529_100000765890 [0,2,0,0,0,0|0,0,2]=4 10168 B13R0.2 C#CCSCCCCCC(=O)OCC 62a_100000038162_100000755133 [0,2,0,0,0,0|0,0,1]=3 10169 B13R0.2 C#CCSCCCOCC(=O)OCC 62a_100000038162_100009893628 [0,2,0,0,0,0|0,0,2]=4 10170 B13R0.2 C/C=C/CCOCCCC(=O)OCC 34a_100016278192_100009991533 [0,2,0,0,0,0|0,0,1]=3 10171 B13R0.2 C/C=C/COCCCCC(=O)OCC 34a_100016270725_100000750268 [0,2,0,0,0,0|0,0,1]=3 10172 B13R0.2 C/C=C/COCCOCC(=O)OCC 34a_100016270725_100000088970 [0,2,0,0,0,0|0,0,2]=4 10173 B13R0.2 C/C=C/COCCSCC(=O)OCC 7a_200000230590_100102629194 [0,2,0,0,0,0|0,0,2]=4 10174 B13R0.2 C/C=C/CSCCCCC(=O)OCC 62a_100000750268_100102629194 [0,2,0,0,0,0|0,0,1]=3 10175 B13R0.2 C/C=C/CSCCCCC(=O)OCC 62a_100102629194_100000750268 [0,2,0,0,0,0|0,0,1]=3 10176 B13R0.2 C/C=C/CSCCOCC(=O)OCC 62a_100000088970_100102629194 [0,2,0,0,0,0|0,0,2]=4 10177 B13R0.2 C/C=C/CSCCOCC(=O)OCC 62a_100102629194_100000088970 [0,2,0,0,0,0|0,0,2]=4 10178 B13R0.2 C=CCCCCCCCC(=O)C#CC 1458a_100000763181_100012355270 [0,2,0,0,0,0|1,0,1]=4 10179 B13R0.2 C=CCCCCCCCC(=O)C=CC 1458a_100000210699_100012355270 [0,2,0,0,0,0|1,0,1]=4 10180 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,2,0,0,0,0|1,0,0]=3 10181 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,2,0,0,0,0|1,0,0]=3 10182 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,2,0,0,0,0|2,0,0]=4 10183 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,2,0,0,0,0|2,0,0]=4 10184 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,2,0,0,0,0|2,0,0]=4 10185 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,2,0,0,0,0|2,0,0]=4 10186 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,2,0,0,0,0|2,0,0]=4 10187 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,2,0,0,0,0|1,0,0]=3 10188 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,2,0,0,0,0|1,0,0]=3 10189 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,2,0,0,0,0|1,0,0]=3 10190 B13R0.2 C=CCCCCCCCC(=O)NNC 22a_100016993582_100011216160 [0,2,0,0,0,0|2,0,0]=4 10191 B13R0.2 C=CCCCCCNCC(=O)NCC 2230a_100016988866_100000700193 [0,2,0,0,0,0|1,0,1]=4 10192 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,2,0,0,0,0|1,0,1]=4 10193 B13R0.2 C=CCCCCCOCC(=O)NCC 34a_100011216702_100000183381 [0,2,0,0,0,0|1,0,1]=4 10194 B13R0.2 C=CCCCCCOCC(=O)NCC 7a_100011216702_100000183381 [0,2,0,0,0,0|1,0,1]=4 10195 B13R0.2 C=CCCCCCOCC(=O)OCC 34a_100011216702_100000188475 [0,2,0,0,0,0|0,0,1]=3 10196 B13R0.2 C=CCCCCCOCC(=O)OCC 7a_100011216702_100000188475 [0,2,0,0,0,0|0,0,1]=3 10197 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000700193_100000747444 [0,2,0,0,0,0|1,0,1]=4 10198 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000747444_100000700193 [0,2,0,0,0,0|1,0,1]=4 10199 B13R0.2 C=CCCCCCSCC(=O)NCC 62a_100000183381_100000700193 [0,2,0,0,0,0|1,0,1]=4 10200 B13R0.2 C=CCCCCCSCC(=O)NCC 62a_100000700193_100000183381 [0,2,0,0,0,0|1,0,1]=4 10201 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000188475_100000700193 [0,2,0,0,0,0|0,0,1]=3 10202 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000700193_100000188475 [0,2,0,0,0,0|0,0,1]=3 10203 B13R0.2 C=CCCCCNCCC(=O)NCC 2230a_100000703577_100000737597 [0,2,0,0,0,0|1,0,1]=4 10204 B13R0.2 C=CCCCCNCCC(=O)NCC 34a_100025743525_100011215482 [0,2,0,0,0,0|1,0,1]=4 10205 B13R0.2 C=CCCCCNCCC(=O)OCC 2230a_100000703577_100011206558 [0,2,0,0,0,0|0,0,1]=3 10206 B13R0.2 C=CCCCCNCCC(=O)OCC 34a_100000703577_100000765890 [0,2,0,0,0,0|0,0,1]=3 10207 B13R0.2 C=CCCCCOCCC(=O)NCC 7a_100000766645_100000737597 [0,2,0,0,0,0|1,0,1]=4 10208 B13R0.2 C=CCCCCOCCC(=O)OCC 34a_100000766645_100000765890 [0,2,0,0,0,0|0,0,1]=3 10209 B13R0.2 C=CCCCCOCCC(=O)OCC 7a_100000766645_100011206558 [0,2,0,0,0,0|0,0,1]=3 10210 B13R0.2 C=CCCCCSCCC(=O)NCC 62a_100000737597_100011215482 [0,2,0,0,0,0|1,0,1]=4 10211 B13R0.2 C=CCCCCSCCC(=O)NCC 62a_100011215482_100000737597 [0,2,0,0,0,0|1,0,1]=4 10212 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100000765890_100011215482 [0,2,0,0,0,0|0,0,1]=3 10213 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100011215482_100000765890 [0,2,0,0,0,0|0,0,1]=3 10214 B13R0.2 C=CCCCCSCOC(=O)OCC 62a_100011215482_100000075025 [0,2,0,0,0,0|0,0,2]=4 10215 B13R0.2 C=CCCCNCCCC(=O)OCC 2230a_100000700776_100009991533 [0,2,0,0,0,0|0,0,1]=3 10216 B13R0.2 C=CCCCNCCCC(=O)OCC 34a_100000700776_100009991533 [0,2,0,0,0,0|0,0,1]=3 10217 B13R0.2 C=CCCCOCCCC(=O)OCC 34a_100000758997_100009991533 [0,2,0,0,0,0|0,0,1]=3 10218 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100000758997_100011215271 [0,2,0,0,0,0|0,0,1]=3 10219 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100012001163_100000757094 [0,2,0,0,0,0|0,0,1]=3 10220 B13R0.2 C=CCCCOCCNC(=O)OCC 34a_100000158857_100000757094 [0,2,0,0,0,0|0,0,2]=4 10221 B13R0.2 C=CCCCOCCNC(=O)OCC 7a_100000758997_200011445536 [0,2,0,0,0,0|0,0,2]=4 10222 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100009991533_100000757094 [0,2,0,0,0,0|0,0,1]=3 10223 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100011713584_100009991533 [0,2,0,0,0,0|0,0,1]=3 10224 B13R0.2 C=CCCCSCCNC(=O)OCC 62a_100011713584_200011445536 [0,2,0,0,0,0|0,0,2]=4 10225 B13R0.2 C=CCCNCCCCC(=O)OCC 2230a_100015191253_100000750268 [0,2,0,0,0,0|0,0,1]=3 10226 B13R0.2 C=CCCNCCOCC(=O)OCC 2230a_100015191253_100000088970 [0,2,0,0,0,0|0,0,2]=4 10227 B13R0.2 C=CCCOCCCCC(=O)OCC 34a_100011205117_100000750268 [0,2,0,0,0,0|0,0,1]=3 10228 B13R0.2 C=CCCOCCOCC(=O)OCC 34a_100011205117_100000088970 [0,2,0,0,0,0|0,0,2]=4 10229 B13R0.2 C=CCCOCCSCC(=O)OCC 7a_200000230590_100000754431 [0,2,0,0,0,0|0,0,2]=4 10230 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000750268_100000754431 [0,2,0,0,0,0|0,0,1]=3 10231 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000754431_100000750268 [0,2,0,0,0,0|0,0,1]=3 10232 B13R0.2 C=CCCSCCOCC(=O)OCC 62a_100000088970_100000754431 [0,2,0,0,0,0|0,0,2]=4 10233 B13R0.2 C=CCCSCCOCC(=O)OCC 62a_100000754431_100000088970 [0,2,0,0,0,0|0,0,2]=4 10234 B13R0.2 C=CCNCCCCCC(=O)OCC 2230a_100020586998_100000755133 [0,2,0,0,0,0|0,0,1]=3 10235 B13R0.2 C=CCNCCCOCC(=O)OCC 2230a_100020586998_100009893628 [0,2,0,0,0,0|0,0,2]=4 10236 B13R0.2 C=CCOCCCCCC(=O)OCC 34a_200000210373_100000755133 [0,2,0,0,0,0|0,0,1]=3 10237 B13R0.2 C=CCOCCCCCC(=O)OCC 7a_100011214988_100015514636 [0,2,0,0,0,0|0,0,1]=3 10238 B13R0.2 C=CCOCCCOCC(=O)OCC 34a_200000210373_100009893628 [0,2,0,0,0,0|0,0,2]=4 10239 B13R0.2 C=CCOCCOCCC(=O)OCC 34a_100000037705_100000765890 [0,2,0,0,0,0|0,0,2]=4 10240 B13R0.2 C=CCOCCOCCC(=O)OCC 7a_100000037705_100011206558 [0,2,0,0,0,0|0,0,2]=4 10241 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000210623_100000755133 [0,2,0,0,0,0|0,0,1]=3 10242 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000755133_100000210623 [0,2,0,0,0,0|0,0,1]=3 10243 B13R0.2 C=CCSCCCOCC(=O)OCC 62a_100000210623_100009893628 [0,2,0,0,0,0|0,0,2]=4 10244 B13R0.2 C=CCSCCCOCC(=O)OCC 62a_100009893628_100000210623 [0,2,0,0,0,0|0,0,2]=4 10245 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,2,0,0,0,0|0,0,2]=4 10246 B13R0.2 C=COC(=O)CNCCCCCCO 2230a_100000686447_100000036128 [0,2,0,0,0,0|0,0,2]=4 10247 B13R0.2 C=COC(=O)CNCCCCCCO 34a_100000686447_100000036128 [0,2,0,0,0,0|0,0,2]=4 10248 B13R0.2 C=COC(=O)CNCCCCCOC 2230a_100000747528_100000036128 [0,2,0,0,0,0|0,0,2]=4 10249 B13R0.2 C=COC(=O)CNCCCCCOC 34a_100000747528_100000036128 [0,2,0,0,0,0|0,0,2]=4 10250 B13R0.2 C=COC(=O)CNCCCOCCC 2230a_100011217757_100000036128 [0,2,0,0,0,0|0,0,2]=4 10251 B13R0.2 C=COC(=O)CNCCCOCCC 34a_100011217757_100000036128 [0,2,0,0,0,0|0,0,2]=4 10252 B13R0.2 C=COC(=O)CNCCSCCCC 2230a_100025743550_100000036128 [0,2,0,0,0,0|0,0,2]=4 10253 B13R0.2 C=COC(=O)COCCCCCCBr 34a_100011215345_100000036128 [0,2,0,0,0,0|0,0,2]=4 10254 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,2,0,0,0,0|0,0,2]=4 10255 B13R0.2 C=COC(=O)COCCCCCCCl 34a_100000766143_100000036128 [0,2,0,0,0,0|0,0,2]=4 10256 B13R0.2 C=COC(=O)COCCCCCCF 34a_100000732779_100000036128 [0,2,0,0,0,0|0,0,2]=4 10257 B13R0.2 C=COC(=O)COCCCCCCN 34a_100000686447_100000036128 [0,2,0,0,0,0|0,0,2]=4 10258 B13R0.2 C=COC(=O)COCCCCCNC 34a_100000722520_100000036128 [0,2,0,0,0,0|0,0,2]=4 10259 B13R0.2 C=COC(=O)COCCOCCCC 34a_100000210238_100000036128 [0,2,0,0,0,0|0,0,2]=4 10260 B13R0.2 C=COC(=O)COCCSCCCC 34a_200000230436_100000036128 [0,2,0,0,0,0|0,0,2]=4 10261 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,2,0,0,0,0|0,0,2]=4 10262 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,2,0,0,0,0|0,0,2]=4 10263 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100000036128_100015922095 [0,2,0,0,0,0|0,0,2]=4 10264 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100015922095_100000036128 [0,2,0,0,0,0|0,0,2]=4 10265 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000036128_100000766143 [0,2,0,0,0,0|0,0,2]=4 10266 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000766143_100000036128 [0,2,0,0,0,0|0,0,2]=4 10267 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000036128_100000743108 [0,2,0,0,0,0|0,0,2]=4 10268 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000743108_100000036128 [0,2,0,0,0,0|0,0,2]=4 10269 B13R0.2 C=COCCCCOCC(=O)OCC 34a_100000031558_100000188475 [0,2,0,0,0,0|0,0,2]=4 10270 B13R0.2 C=COCCCCOCC(=O)OCC 7a_100000031558_100000188475 [0,2,0,0,0,0|0,0,2]=4 10271 B13R0.2 C=COCCCNCCC(=O)OCC 2230a_100000210767_100011206558 [0,2,0,0,0,0|0,0,2]=4 10272 B13R0.2 C=COCCCNCCC(=O)OCC 34a_100000210767_100000765890 [0,2,0,0,0,0|0,0,2]=4 10273 B13R0.2 C=COCCOCCCC(=O)OCC 34a_100000033082_100009991533 [0,2,0,0,0,0|0,0,2]=4 10274 B13R0.2 C=COCCOCCCC(=O)OCC 7a_100012001163_100000039644 [0,2,0,0,0,0|0,0,2]=4 10275 B13R0.2 C=COCCSCCCC(=O)OCC 62a_100000039644_100009991533 [0,2,0,0,0,0|0,0,2]=4 10276 B13R0.2 C=COCCSCCCC(=O)OCC 62a_100009991533_100000039644 [0,2,0,0,0,0|0,0,2]=4 10277 B13R0.2 CC#CC(=O)CCCC#CCCCC 1458a_100000763181_200000047210 [0,2,0,0,0,0|1,0,1]=4 10278 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,2,0,0,0,0|1,0,1]=4 10279 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,2,0,0,0,0|1,0,1]=4 10280 B13R0.2 CC#CCCOCCCC(=O)OCC 34a_100000750427_100009991533 [0,2,0,0,0,0|0,0,1]=3 10281 B13R0.2 CC#CCNCCCCC(=O)OCC 2230a_100000685387_100000750268 [0,2,0,0,0,0|0,0,1]=3 10282 B13R0.2 CC#CCNCCCCC(=O)OCC 34a_100000685387_100000750268 [0,2,0,0,0,0|0,0,1]=3 10283 B13R0.2 CC#CCNCCOCC(=O)OCC 2230a_100000685387_100000088970 [0,2,0,0,0,0|0,0,2]=4 10284 B13R0.2 CC#CCNCCOCC(=O)OCC 34a_100000685387_100000088970 [0,2,0,0,0,0|0,0,2]=4 10285 B13R0.2 CC#CCOCCCCC(=O)OCC 34a_100000761923_100000750268 [0,2,0,0,0,0|0,0,1]=3 10286 B13R0.2 CC#CCOCCOCC(=O)OCC 34a_100000761923_100000088970 [0,2,0,0,0,0|0,0,2]=4 10287 B13R0.2 CC#CCOCCSCC(=O)OCC 7a_200000230590_100000748600 [0,2,0,0,0,0|0,0,2]=4 10288 B13R0.2 CC#CCSCCCCC(=O)OCC 62a_100000748600_100000750268 [0,2,0,0,0,0|0,0,1]=3 10289 B13R0.2 CC#CCSCCCCC(=O)OCC 62a_100000750268_100000748600 [0,2,0,0,0,0|0,0,1]=3 10290 B13R0.2 CC#CCSCCOCC(=O)OCC 62a_100000088970_100000748600 [0,2,0,0,0,0|0,0,2]=4 10291 B13R0.2 CC#CCSCCOCC(=O)OCC 62a_100000748600_100000088970 [0,2,0,0,0,0|0,0,2]=4 10292 B13R0.2 CC/C=C/CCCOCC(=O)CCC 7a_100016287902_100000747444 [0,2,0,0,0,0|1,0,1]=4 10293 B13R0.2 CC/C=C/CCCOCC(=O)NCC 34a_100016287902_100000183381 [0,2,0,0,0,0|1,0,1]=4 10294 B13R0.2 CC/C=C/CCCOCC(=O)NCC 7a_100016287902_100000183381 [0,2,0,0,0,0|1,0,1]=4 10295 B13R0.2 CC/C=C/CCCOCC(=O)OCC 34a_100016287902_100000188475 [0,2,0,0,0,0|0,0,1]=3 10296 B13R0.2 CC/C=C/CCCOCC(=O)OCC 7a_100016287902_100000188475 [0,2,0,0,0,0|0,0,1]=3 10297 B13R0.2 CC/C=C\CCNCCC(=O)NCC 34a_100025743525_100015370543 [0,2,0,0,0,0|1,0,1]=4 10298 B13R0.2 CC/C=C\CCOCCC(=O)NCC 7a_100016288707_100000737597 [0,2,0,0,0,0|1,0,1]=4 10299 B13R0.2 CC/C=C\CCOCCC(=O)OCC 34a_100016288707_100000765890 [0,2,0,0,0,0|0,0,1]=3 10300 B13R0.2 CC/C=C\CCOCCC(=O)OCC 7a_100016288707_100011206558 [0,2,0,0,0,0|0,0,1]=3 10301 B13R0.2 CC/C=C\CCSCCC(=O)NCC 62a_100000737597_100015370543 [0,2,0,0,0,0|1,0,1]=4 10302 B13R0.2 CC/C=C\CCSCCC(=O)NCC 62a_100015370543_100000737597 [0,2,0,0,0,0|1,0,1]=4 10303 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100000765890_100015370543 [0,2,0,0,0,0|0,0,1]=3 10304 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100015370543_100000765890 [0,2,0,0,0,0|0,0,1]=3 10305 B13R0.2 CC/C=C\CCSCOC(=O)OCC 62a_100015370543_100000075025 [0,2,0,0,0,0|0,0,2]=4 10306 B13R0.2 CC/C=C\COCCCC(=O)OCC 34a_100016268518_100009991533 [0,2,0,0,0,0|0,0,1]=3 10307 B13R0.2 CC/C=C\COCCCC(=O)OCC 7a_100012001163_100103147603 [0,2,0,0,0,0|0,0,1]=3 10308 B13R0.2 CC/C=C\COCCNC(=O)OCC 34a_100000158857_100103147603 [0,2,0,0,0,0|0,0,2]=4 10309 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100009991533_100103147603 [0,2,0,0,0,0|0,0,1]=3 10310 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100103147603_100009991533 [0,2,0,0,0,0|0,0,1]=3 10311 B13R0.2 CC/C=C\CSCCNC(=O)OCC 62a_100103147603_200011445536 [0,2,0,0,0,0|0,0,2]=4 10312 B13R0.2 CC=C=CCCOCCC(=O)OCC 34a_100011020354_100000765890 [0,2,0,0,0,0|0,0,2]=4 10313 B13R0.2 CC=CC(=O)CCCC#CCCCC 1458a_100000210699_200000047210 [0,2,0,0,0,0|1,0,1]=4 10314 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,2,0,0,0,0|1,0,1]=4 10315 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,2,0,0,0,0|1,0,1]=4 10316 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,2,0,0,0,0|1,0,1]=4 10317 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,2,0,0,0,0|1,0,1]=4 10318 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,2,0,0,0,0|1,0,1]=4 10319 B13R0.2 CC=CC(=O)NCCCCCCCO 240690a_100011996573_100000210699 [0,2,0,0,0,0|1,0,1]=4 10320 B13R0.2 CC=CC(=O)NCCCOCCCC 1626a_200000211371_100000210699 [0,2,0,0,0,0|1,0,1]=4 10321 B13R0.2 CC=CC(=O)NCCCOCCCC 240690a_200000211371_100000210699 [0,2,0,0,0,0|1,0,1]=4 10322 B13R0.2 CC=CCCCOCCC(=O)OCC 34a_100020645299_100000765890 [0,2,0,0,0,0|0,0,1]=3 10323 B13R0.2 CC=CCOCCSCC(=O)OCC 7a_200000230590_100000070051 [0,2,0,0,0,0|0,0,2]=4 10324 B13R0.2 CC=CCSCCCCC(=O)OCC 62a_100000070051_100000750268 [0,2,0,0,0,0|0,0,1]=3 10325 B13R0.2 CC=CCSCCCCC(=O)OCC 62a_100000750268_100000070051 [0,2,0,0,0,0|0,0,1]=3 10326 B13R0.2 CC=CCSCCOCC(=O)OCC 62a_100000070051_100000088970 [0,2,0,0,0,0|0,0,2]=4 10327 B13R0.2 CC=CCSCCOCC(=O)OCC 62a_100000088970_100000070051 [0,2,0,0,0,0|0,0,2]=4 10328 B13R0.2 CCC#CCCOCCC(=O)NCC 7a_100000036655_100000737597 [0,2,0,0,0,0|1,0,1]=4 10329 B13R0.2 CCC#CCCOCCC(=O)OCC 34a_100000036655_100000765890 [0,2,0,0,0,0|0,0,1]=3 10330 B13R0.2 CCC#CCCOCCC(=O)OCC 7a_100000036655_100011206558 [0,2,0,0,0,0|0,0,1]=3 10331 B13R0.2 CCC#CCOCCCC(=O)OCC 34a_100000032950_100009991533 [0,2,0,0,0,0|0,0,1]=3 10332 B13R0.2 CCC#CCOCCCC(=O)OCC 7a_100012001163_100009813939 [0,2,0,0,0,0|0,0,1]=3 10333 B13R0.2 CCC#CCOCCNC(=O)OCC 34a_100000158857_100009813939 [0,2,0,0,0,0|0,0,2]=4 10334 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009813939_100009991533 [0,2,0,0,0,0|0,0,1]=3 10335 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009991533_100009813939 [0,2,0,0,0,0|0,0,1]=3 10336 B13R0.2 CCC#CCSCCNC(=O)OCC 62a_100009813939_200011445536 [0,2,0,0,0,0|0,0,2]=4 10337 B13R0.2 CCC/C=C/COCCC(=O)NCC 7a_100016278788_100000737597 [0,2,0,0,0,0|1,0,1]=4 10338 B13R0.2 CCC/C=C/COCCC(=O)OCC 34a_100016278788_100000765890 [0,2,0,0,0,0|0,0,1]=3 10339 B13R0.2 CCC/C=C/COCCC(=O)OCC 7a_100016278788_100011206558 [0,2,0,0,0,0|0,0,1]=3 10340 B13R0.2 CCCC#CCCOCC(=O)CCC 7a_100000042726_100000747444 [0,2,0,0,0,0|1,0,1]=4 10341 B13R0.2 CCCC#CCCOCC(=O)NCC 34a_100000042726_100000183381 [0,2,0,0,0,0|1,0,1]=4 10342 B13R0.2 CCCC#CCCOCC(=O)NCC 7a_100000042726_100000183381 [0,2,0,0,0,0|1,0,1]=4 10343 B13R0.2 CCCC#CCCOCC(=O)OCC 34a_100000042726_100000188475 [0,2,0,0,0,0|0,0,1]=3 10344 B13R0.2 CCCC#CCCOCC(=O)OCC 7a_100000042726_100000188475 [0,2,0,0,0,0|0,0,1]=3 10345 B13R0.2 CCCC#CCOCCC(=O)NCC 7a_100000034806_100000737597 [0,2,0,0,0,0|1,0,1]=4 10346 B13R0.2 CCCC#CCOCCC(=O)OCC 34a_100000034806_100000765890 [0,2,0,0,0,0|0,0,1]=3 10347 B13R0.2 CCCC#CCOCCC(=O)OCC 7a_100000034806_100011206558 [0,2,0,0,0,0|0,0,1]=3 10348 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,2,0,0,0,0|1,0,0]=3 10349 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100000211992_100000032323 [0,2,0,0,0,0|2,0,0]=4 10350 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100009915118_100000210303 [0,2,0,0,0,0|2,0,0]=4 10351 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,2,0,0,0,0|1,0,0]=3 10352 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,2,0,0,0,0|1,0,0]=3 10353 B13R0.2 CCCC(=O)CNCCOCCOC 2230a_100000745349_100000747444 [0,2,0,0,0,0|2,0,0]=4 10354 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,2,0,0,0,0|1,0,0]=3 10355 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,2,0,0,0,0|1,0,0]=3 10356 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,2,0,0,0,0|1,0,0]=3 10357 B13R0.2 CCCC(=O)COCCOCCOC 1458a_100011214951_100000210303 [0,2,0,0,0,0|2,0,0]=4 10358 B13R0.2 CCCC(=O)COCCOCCOC 7a_100011215163_100000747444 [0,2,0,0,0,0|2,0,0]=4 10359 B13R0.2 CCCC(=O)CSCCCCCC#N 62a_100000747444_100009813376 [0,2,0,0,0,0|1,0,1]=4 10360 B13R0.2 CCCC(=O)CSCCCCCC#N 62a_100009813376_100000747444 [0,2,0,0,0,0|1,0,1]=4 10361 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [0,2,0,0,0,0|1,0,1]=4 10362 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [0,2,0,0,0,0|1,0,1]=4 10363 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,2,0,0,0,0|1,0,0]=3 10364 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,2,0,0,0,0|1,0,0]=3 10365 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,2,0,0,0,0|1,0,0]=3 10366 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,2,0,0,0,0|1,0,0]=3 10367 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000695917_100000747444 [0,2,0,0,0,0|2,0,0]=4 10368 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000747444_100000695917 [0,2,0,0,0,0|2,0,0]=4 10369 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,2,0,0,0,0|1,0,0]=3 10370 B13R0.2 CCCC(=O)NCCCOCCCO 240690a_100011310245_100000211992 [0,2,0,0,0,0|2,0,0]=4 10371 B13R0.2 CCCC(=O)NCCCOCCOC 1626a_100000206027_100000211992 [0,2,0,0,0,0|2,0,0]=4 10372 B13R0.2 CCCC(=O)NCCCOCCOC 240690a_100000206027_100000211992 [0,2,0,0,0,0|2,0,0]=4 10373 B13R0.2 CCCC(=O)NCCOCCOCC 11a_100102712874_100000211992 [0,2,0,0,0,0|2,0,0]=4 10374 B13R0.2 CCCC(=O)NCCOCCOCC 1626a_100102712874_100000211992 [0,2,0,0,0,0|2,0,0]=4 10375 B13R0.2 CCCC(=O)NCCOCCOCC 240690a_100102712874_100000211992 [0,2,0,0,0,0|2,0,0]=4 10376 B13R0.2 CCCC(=O)NCCOCCOCC 527a_100102712874_100000211992 [0,2,0,0,0,0|2,0,0]=4 10377 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,2,0,0,0,0|2,0,0]=4 10378 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,2,0,0,0,0|2,0,0]=4 10379 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,2,0,0,0,0|2,0,0]=4 10380 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,2,0,0,0,0|2,0,0]=4 10381 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,2,0,0,0,0|2,0,0]=4 10382 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,2,0,0,0,0|2,0,0]=4 10383 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,2,0,0,0,0|2,0,0]=4 10384 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,2,0,0,0,0|2,0,0]=4 10385 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,2,0,0,0,0|2,0,0]=4 10386 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,2,0,0,0,0|2,0,0]=4 10387 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,2,0,0,0,0|2,0,0]=4 10388 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,2,0,0,0,0|2,0,0]=4 10389 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,2,0,0,0,0|2,0,0]=4 10390 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,2,0,0,0,0|2,0,0]=4 10391 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,2,0,0,0,0|2,0,0]=4 10392 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,2,0,0,0,0|2,0,0]=4 10393 B13R0.2 CCCC/C=C/COCC(=O)CCC 7a_200016272032_100000747444 [0,2,0,0,0,0|1,0,1]=4 10394 B13R0.2 CCCC/C=C/COCC(=O)NCC 34a_200016272032_100000183381 [0,2,0,0,0,0|1,0,1]=4 10395 B13R0.2 CCCC/C=C/COCC(=O)NCC 7a_200016272032_100000183381 [0,2,0,0,0,0|1,0,1]=4 10396 B13R0.2 CCCC/C=C/COCC(=O)OCC 34a_200016272032_100000188475 [0,2,0,0,0,0|0,0,1]=3 10397 B13R0.2 CCCC/C=C/COCC(=O)OCC 7a_200016272032_100000188475 [0,2,0,0,0,0|0,0,1]=3 10398 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,2,0,0,0,0|1,0,0]=3 10399 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,2,0,0,0,0|2,0,0]=4 10400 B13R0.2 CCCCC#CCCCC(=O)COC 1458a_100000210968_200000047210 [0,2,0,0,0,0|2,0,0]=4 10401 B13R0.2 CCCCC#CCCCC(=O)CSC 1458a_100000184570_200000047210 [0,2,0,0,0,0|2,0,0]=4 10402 B13R0.2 CCCCC#CCOCC(=O)CCC 7a_200000034558_100000747444 [0,2,0,0,0,0|1,0,1]=4 10403 B13R0.2 CCCCC#CCOCC(=O)NCC 34a_200000034558_100000183381 [0,2,0,0,0,0|1,0,1]=4 10404 B13R0.2 CCCCC#CCOCC(=O)NCC 7a_200000034558_100000183381 [0,2,0,0,0,0|1,0,1]=4 10405 B13R0.2 CCCCC#CCOCC(=O)OCC 34a_200000034558_100000188475 [0,2,0,0,0,0|0,0,1]=3 10406 B13R0.2 CCCCC#CCOCC(=O)OCC 7a_200000034558_100000188475 [0,2,0,0,0,0|0,0,1]=3 10407 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,2,0,0,0,0|1,0,0]=3 10408 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,2,0,0,0,0|2,0,0]=4 10409 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,2,0,0,0,0|2,0,0]=4 10410 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 10411 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 10412 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,2,0,0,0,0|1,0,0]=3 10413 B13R0.2 CCCCC/C=C/CCC(=O)NNC 22a_100016993582_200015255902 [0,2,0,0,0,0|2,0,0]=4 10414 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,2,0,0,0,0|1,0,0]=3 10415 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,2,0,0,0,0|2,0,0]=4 10416 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,2,0,0,0,0|2,0,0]=4 10417 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,2,0,0,0,0|1,0,0]=3 10418 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,2,0,0,0,0|1,0,0]=3 10419 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,2,0,0,0,0|2,0,0]=4 10420 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,2,0,0,0,0|1,0,1]=4 10421 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,2,0,0,0,0|1,0,0]=3 10422 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,2,0,0,0,0|2,0,0]=4 10423 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,2,0,0,0,0|2,0,0]=4 10424 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,2,0,0,0,0|1,0,0]=3 10425 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,2,0,0,0,0|1,0,0]=3 10426 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,2,0,0,0,0|2,0,0]=4 10427 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,2,0,0,0,0|1,0,0]=3 10428 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,2,0,0,0,0|1,0,0]=3 10429 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,2,0,0,0,0|2,0,0]=4 10430 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,2,0,0,0,0|2,0,0]=4 10431 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,2,0,0,0,0|2,0,0]=4 10432 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,2,0,0,0,0|2,0,0]=4 10433 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,2,0,0,0,0|2,0,0]=4 10434 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 10435 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 10436 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,2,0,0,0,0|1,0,0]=3 10437 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,2,0,0,0,0|2,0,0]=4 10438 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,2,0,0,0,0|1,0,1]=4 10439 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,2,0,0,0,0|1,0,1]=4 10440 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 10441 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 10442 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 10443 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,2,0,0,0,0|1,0,0]=3 10444 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,2,0,0,0,0|2,0,0]=4 10445 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,2,0,0,0,0|2,0,0]=4 10446 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,2,0,0,0,0|2,0,0]=4 10447 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,2,0,0,0,0|2,0,0]=4 10448 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,2,0,0,0,0|2,0,0]=4 10449 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,2,0,0,0,0|2,0,0]=4 10450 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,2,0,0,0,0|2,0,0]=4 10451 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,2,0,0,0,0|2,0,0]=4 10452 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,2,0,0,0,0|2,0,0]=4 10453 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 10454 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 10455 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 10456 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 10457 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,2,0,0,0,0|1,0,0]=3 10458 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,2,0,0,0,0|1,0,0]=3 10459 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,2,0,0,0,0|2,0,0]=4 10460 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,2,0,0,0,0|2,0,0]=4 10461 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,2,0,0,0,0|2,0,0]=4 10462 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,2,0,0,0,0|1,0,0]=3 10463 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,2,0,0,0,0|1,0,0]=3 10464 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,2,0,0,0,0|1,0,0]=3 10465 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,2,0,0,0,0|2,0,0]=4 10466 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,2,0,0,0,0|0,0,0]=2 10467 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,2,0,0,0,0|1,0,0]=3 10468 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,2,0,0,0,0|1,0,0]=3 10469 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,2,0,0,0,0|1,0,0]=3 10470 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,2,0,0,0,0|2,0,0]=4 10471 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,2,0,0,0,0|2,0,0]=4 10472 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,2,0,0,0,0|0,0,0]=2 10473 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,2,0,0,0,0|0,0,0]=2 10474 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,2,0,0,0,0|1,0,0]=3 10475 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,2,0,0,0,0|1,0,0]=3 10476 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,2,0,0,0,0|1,0,0]=3 10477 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,2,0,0,0,0|1,0,0]=3 10478 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,2,0,0,0,0|2,0,0]=4 10479 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,2,0,0,0,0|2,0,0]=4 10480 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,2,0,0,0,0|0,0,0]=2 10481 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,2,0,0,0,0|0,0,0]=2 10482 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,2,0,0,0,0|1,0,0]=3 10483 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,2,0,0,0,0|1,0,0]=3 10484 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,2,0,0,0,0|0,0,0]=2 10485 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,2,0,0,0,0|1,0,0]=3 10486 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,2,0,0,0,0|1,0,0]=3 10487 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,2,0,0,0,0|0,0,0]=2 10488 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,2,0,0,0,0|0,0,0]=2 10489 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,2,0,0,0,0|1,0,0]=3 10490 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,2,0,0,0,0|1,0,0]=3 10491 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,2,0,0,0,0|1,0,0]=3 10492 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,2,0,0,0,0|0,0,0]=2 10493 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,2,0,0,0,0|0,0,0]=2 10494 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,2,0,0,0,0|1,0,0]=3 10495 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,2,0,0,0,0|0,0,0]=2 10496 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,2,0,0,0,0|0,0,1]=3 10497 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,2,0,0,0,0|0,0,0]=2 10498 B13R0.2 CCCCCNN=C[CH-]C(=O)OCC 4a_100000694160_100010622808 [0,2,0,0,0,0|0,0,2]=4 10499 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,2,0,0,0,0|0,0,1]=3 10500 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,2,0,0,0,0|0,0,1]=3 10501 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,2,0,0,0,0|0,0,0]=2 10502 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,2,0,0,0,0|0,0,0]=2 10503 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,2,0,0,0,0|0,0,0]=2 10504 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,2,0,0,0,0|0,0,0]=2 10505 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,2,0,0,0,0|0,0,0]=2 10506 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,2,0,0,0,0|0,0,1]=3 10507 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,2,0,0,0,0|0,0,1]=3 10508 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,2,0,0,0,0|0,0,0]=2 10509 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,2,0,0,0,0|0,0,0]=2 10510 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,2,0,0,0,0|0,0,0]=2 10511 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,2,0,0,0,0|0,0,0]=2 10512 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,2,0,0,0,0|0,0,0]=2 10513 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,2,0,0,0,0|0,0,0]=2 10514 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,2,0,0,0,0|0,0,0]=2 10515 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,2,0,0,0,0|0,0,0]=2 10516 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,2,0,0,0,0|0,0,0]=2 10517 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,2,0,0,0,0|1,0,0]=3 10518 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,2,0,0,0,0|1,0,0]=3 10519 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,2,0,0,0,0|1,0,0]=3 10520 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,2,0,0,0,0|2,0,0]=4 10521 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 10522 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 10523 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,2,0,0,0,0|2,0,0]=4 10524 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 10525 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 10526 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,2,0,0,0,0|2,0,0]=4 10527 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,2,0,0,0,0|1,0,0]=3 10528 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,2,0,0,0,0|1,0,0]=3 10529 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,2,0,0,0,0|1,0,0]=3 10530 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,2,0,0,0,0|1,0,0]=3 10531 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,2,0,0,0,0|1,0,0]=3 10532 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,2,0,0,0,0|1,0,0]=3 10533 B13R0.2 CCCCOCCCNC(=O)NNC 273464a_200000211371_100016993582 [0,2,0,0,0,0|2,0,0]=4 10534 B13R0.2 CCCCOCCCNC(=O)NNC 512a_100016993582_200000211371 [0,2,0,0,0,0|2,0,0]=4 10535 B13R0.2 CCCCOCCCNC(=O)NNC 512a_200000211371_100016993582 [0,2,0,0,0,0|2,0,0]=4 10536 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [0,2,0,0,0,0|1,0,0]=3 10537 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,2,0,0,0,0|1,0,0]=3 10538 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,2,0,0,0,0|1,0,0]=3 10539 B13R0.2 CCCCOCCOCC(=O)CCF 1458a_100011216887_100011217306 [0,2,0,0,0,0|2,0,0]=4 10540 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,2,0,0,0,0|2,0,0]=4 10541 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,2,0,0,0,0|1,0,0]=3 10542 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,2,0,0,0,0|1,0,0]=3 10543 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,2,0,0,0,0|1,0,0]=3 10544 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,2,0,0,0,0|1,0,0]=3 10545 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,2,0,0,0,0|1,0,0]=3 10546 B13R0.2 CCCCOCCOCC(=O)NCO 34a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 10547 B13R0.2 CCCCOCCOCC(=O)NCO 7a_100000210238_100000185155 [0,2,0,0,0,0|2,0,0]=4 10548 B13R0.2 CCCCOCCOCC(=O)NNC 22a_100016993582_100011216887 [0,2,0,0,0,0|2,0,0]=4 10549 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,2,0,0,0,0|0,0,0]=2 10550 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,2,0,0,0,0|0,0,0]=2 10551 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,2,0,0,0,0|0,0,0]=2 10552 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,2,0,0,0,0|0,0,0]=2 10553 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,2,0,0,0,0|1,0,0]=3 10554 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,2,0,0,0,0|1,0,0]=3 10555 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [0,2,0,0,0,0|1,0,0]=3 10556 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [0,2,0,0,0,0|1,0,0]=3 10557 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000185155_100000743108 [0,2,0,0,0,0|2,0,0]=4 10558 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000743108_100000185155 [0,2,0,0,0,0|2,0,0]=4 10559 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,2,0,0,0,0|0,0,0]=2 10560 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,2,0,0,0,0|0,0,0]=2 10561 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,2,0,0,0,0|0,0,0]=2 10562 B13R0.2 CCCCOCNCCC(=O)NCC 34a_100025743525_100011995733 [0,2,0,0,0,0|1,0,0]=3 10563 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100000737597_100011995733 [0,2,0,0,0,0|1,0,0]=3 10564 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100011995733_100000737597 [0,2,0,0,0,0|1,0,0]=3 10565 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,2,0,0,0,0|0,0,0]=2 10566 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,2,0,0,0,0|0,0,0]=2 10567 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,2,0,0,0,0|2,0,0]=4 10568 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,2,0,0,0,0|1,0,0]=3 10569 B13R0.2 CCCCSCC=NNC(=O)OCC 62a_100000210211_100015372823 [0,2,0,0,0,0|1,0,1]=4 10570 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,2,0,0,0,0|0,0,0]=2 10571 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,2,0,0,0,0|0,0,0]=2 10572 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,2,0,0,0,0|1,0,0]=3 10573 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [0,2,0,0,0,0|1,0,0]=3 10574 B13R0.2 CCCCSCCNCC(=O)NCO 2230a_100025743550_100000185155 [0,2,0,0,0,0|2,0,0]=4 10575 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,2,0,0,0,0|0,0,0]=2 10576 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,2,0,0,0,0|1,0,0]=3 10577 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,2,0,0,0,0|1,0,0]=3 10578 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,2,0,0,0,0|1,0,0]=3 10579 B13R0.2 CCCCSCCOCC(=O)NCO 34a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 10580 B13R0.2 CCCCSCCOCC(=O)NCO 7a_200000230436_100000185155 [0,2,0,0,0,0|2,0,0]=4 10581 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,2,0,0,0,0|0,0,0]=2 10582 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,2,0,0,0,0|0,0,0]=2 10583 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,2,0,0,0,0|0,0,0]=2 10584 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,2,0,0,0,0|0,0,0]=2 10585 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,2,0,0,0,0|0,0,0]=2 10586 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,2,0,0,0,0|0,0,0]=2 10587 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,2,0,0,0,0|1,0,0]=3 10588 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [0,2,0,0,0,0|1,0,0]=3 10589 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [0,2,0,0,0,0|1,0,0]=3 10590 B13R0.2 CCCOCCCNCC(=O)NCO 2230a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 10591 B13R0.2 CCCOCCCNCC(=O)NCO 34a_100011217757_100000185155 [0,2,0,0,0,0|2,0,0]=4 10592 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,2,0,0,0,0|0,0,0]=2 10593 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,2,0,0,0,0|0,0,0]=2 10594 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,2,0,0,0,0|0,0,0]=2 10595 B13R0.2 CCCOCCNCCC(=O)NCC 2230a_100161115042_100000737597 [0,2,0,0,0,0|1,0,0]=3 10596 B13R0.2 CCCOCCNCCC(=O)NCC 34a_100025743525_100011215938 [0,2,0,0,0,0|1,0,0]=3 10597 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,2,0,0,0,0|0,0,0]=2 10598 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,2,0,0,0,0|0,0,0]=2 10599 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,2,0,0,0,0|2,0,0]=4 10600 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,2,0,0,0,0|2,0,0]=4 10601 B13R0.2 CCCOCCOCCC(=O)NCC 7a_100000752267_100000737597 [0,2,0,0,0,0|1,0,0]=3 10602 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,2,0,0,0,0|0,0,0]=2 10603 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,2,0,0,0,0|0,0,0]=2 10604 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,2,0,0,0,0|2,0,0]=4 10605 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100000737597_100011215938 [0,2,0,0,0,0|1,0,0]=3 10606 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100011215938_100000737597 [0,2,0,0,0,0|1,0,0]=3 10607 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,2,0,0,0,0|0,0,0]=2 10608 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,2,0,0,0,0|0,0,0]=2 10609 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,2,0,0,0,0|2,0,0]=4 10610 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,2,0,0,0,0|1,0,0]=3 10611 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,2,0,0,0,0|0,0,0]=2 10612 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,2,0,0,0,0|0,0,0]=2 10613 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,2,0,0,0,0|0,0,0]=2 10614 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,2,0,0,0,0|0,0,0]=2 10615 B13R0.2 CCCSCCNCCC(=O)NCC 2230a_100020603323_100000737597 [0,2,0,0,0,0|1,0,0]=3 10616 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,2,0,0,0,0|0,0,0]=2 10617 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,2,0,0,0,0|2,0,0]=4 10618 B13R0.2 CCCSCCOCCC(=O)NCC 7a_200000230433_100000737597 [0,2,0,0,0,0|1,0,0]=3 10619 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,2,0,0,0,0|0,0,0]=2 10620 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,2,0,0,0,0|0,0,0]=2 10621 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,2,0,0,0,0|2,0,0]=4 10622 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,2,0,0,0,0|1,0,0]=3 10623 B13R0.2 CCNC(=O)CCNCCCCCF 34a_100025743525_100000729378 [0,2,0,0,0,0|1,0,0]=3 10624 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [0,2,0,0,0,0|1,0,0]=3 10625 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [0,2,0,0,0,0|1,0,0]=3 10626 B13R0.2 CCNC(=O)CCNCCCCOC 34a_100025743525_100000755781 [0,2,0,0,0,0|1,0,0]=3 10627 B13R0.2 CCNC(=O)CCNCCCOCC 2230a_100000210961_100000737597 [0,2,0,0,0,0|1,0,0]=3 10628 B13R0.2 CCNC(=O)CCNCCCOCC 34a_100025743525_100012232248 [0,2,0,0,0,0|1,0,0]=3 10629 B13R0.2 CCNC(=O)CCNCCOCCO 2230a_100000211614_100000737597 [0,2,0,0,0,0|2,0,0]=4 10630 B13R0.2 CCNC(=O)CCNCCOCCO 34a_100025743525_100000692535 [0,2,0,0,0,0|2,0,0]=4 10631 B13R0.2 CCNC(=O)CCNCCSCCO 2230a_100011219999_100000737597 [0,2,0,0,0,0|2,0,0]=4 10632 B13R0.2 CCNC(=O)CCOCCCCCBr 7a_100000746331_100000737597 [0,2,0,0,0,0|1,0,0]=3 10633 B13R0.2 CCNC(=O)CCOCCCCCCl 7a_100000746330_100000737597 [0,2,0,0,0,0|1,0,0]=3 10634 B13R0.2 CCNC(=O)CCOCCCCCI 7a_200012148887_100000737597 [0,2,0,0,0,0|1,0,0]=3 10635 B13R0.2 CCNC(=O)CCOCCCCSC 7a_100011217163_100000737597 [0,2,0,0,0,0|1,0,0]=3 10636 B13R0.2 CCNC(=O)CCOCCCOCC 7a_100000757476_100000737597 [0,2,0,0,0,0|1,0,0]=3 10637 B13R0.2 CCNC(=O)CCOCCCSCC 7a_100011216438_100000737597 [0,2,0,0,0,0|1,0,0]=3 10638 B13R0.2 CCNC(=O)CCOCCOCCBr 7a_100000692535_100000737597 [0,2,0,0,0,0|2,0,0]=4 10639 B13R0.2 CCNC(=O)CCOCCOCCCl 7a_100011215305_100000737597 [0,2,0,0,0,0|2,0,0]=4 10640 B13R0.2 CCNC(=O)CCOCCOCCF 7a_200015357709_100000737597 [0,2,0,0,0,0|2,0,0]=4 10641 B13R0.2 CCNC(=O)CCOCCOCCI 7a_100012149058_100000737597 [0,2,0,0,0,0|2,0,0]=4 10642 B13R0.2 CCNC(=O)CCOCCOCCO 240690a_100015525214_100009915118 [0,2,0,0,0,0|2,0,0]=4 10643 B13R0.2 CCNC(=O)CCSCCCCC#N 62a_100000737597_100000211819 [0,2,0,0,0,0|1,0,1]=4 10644 B13R0.2 CCNC(=O)CCSCCCCC#N 62a_100011219923_100000737597 [0,2,0,0,0,0|1,0,1]=4 10645 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000139335_100000737597 [0,2,0,0,0,0|1,0,1]=4 10646 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000737597_100000139335 [0,2,0,0,0,0|1,0,1]=4 10647 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000729378_100000737597 [0,2,0,0,0,0|1,0,0]=3 10648 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000737597_100000729378 [0,2,0,0,0,0|1,0,0]=3 10649 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [0,2,0,0,0,0|1,0,0]=3 10650 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [0,2,0,0,0,0|1,0,0]=3 10651 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000730899_100000737597 [0,2,0,0,0,0|1,0,0]=3 10652 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000737597_100000730899 [0,2,0,0,0,0|1,0,0]=3 10653 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100000737597_100012232248 [0,2,0,0,0,0|1,0,0]=3 10654 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100012232248_100000737597 [0,2,0,0,0,0|1,0,0]=3 10655 B13R0.2 CCNC(=O)CCSCCOCCO 62a_100000737597_100011215305 [0,2,0,0,0,0|2,0,0]=4 10656 B13R0.2 CCNC(=O)CCSCCOCCO 62a_100011215305_100000737597 [0,2,0,0,0,0|2,0,0]=4 10657 B13R0.2 CCNC(=O)CCSCOCCOC 62a_100000231047_100000737597 [0,2,0,0,0,0|2,0,0]=4 10658 B13R0.2 CCNC(=O)CCSCOCCOC 62a_100000737597_100000231047 [0,2,0,0,0,0|2,0,0]=4 10659 B13R0.2 CCNC(=O)CNCCCCCC#N 2230a_100016988866_100009813376 [0,2,0,0,0,0|1,0,1]=4 10660 B13R0.2 CCNC(=O)CNCCCCCC=O 2230a_100016988866_100000139337 [0,2,0,0,0,0|1,0,1]=4 10661 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [0,2,0,0,0,0|1,0,0]=3 10662 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,2,0,0,0,0|1,0,0]=3 10663 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,2,0,0,0,0|1,0,0]=3 10664 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,2,0,0,0,0|1,0,0]=3 10665 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [0,2,0,0,0,0|1,0,0]=3 10666 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [0,2,0,0,0,0|1,0,0]=3 10667 B13R0.2 CCNC(=O)CNCCOCCOC 2230a_100000745349_100000183381 [0,2,0,0,0,0|2,0,0]=4 10668 B13R0.2 CCNC(=O)CNCCOCCOC 2230a_100016988866_100000695917 [0,2,0,0,0,0|2,0,0]=4 10669 B13R0.2 CCNC(=O)CNCCOCCOC 34a_100000745349_100000183381 [0,2,0,0,0,0|2,0,0]=4 10670 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,2,0,0,0,0|1,0,0]=3 10671 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,2,0,0,0,0|1,0,0]=3 10672 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,2,0,0,0,0|1,0,0]=3 10673 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,2,0,0,0,0|1,0,0]=3 10674 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,2,0,0,0,0|1,0,0]=3 10675 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,2,0,0,0,0|1,0,0]=3 10676 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,2,0,0,0,0|1,0,0]=3 10677 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,2,0,0,0,0|1,0,0]=3 10678 B13R0.2 CCNC(=O)COCCOCCNC 34a_100000228057_100000183381 [0,2,0,0,0,0|2,0,0]=4 10679 B13R0.2 CCNC(=O)COCCOCCOC 11a_100015525214_100011214951 [0,2,0,0,0,0|2,0,0]=4 10680 B13R0.2 CCNC(=O)COCCOCCOC 240690a_100015525214_100011214951 [0,2,0,0,0,0|2,0,0]=4 10681 B13R0.2 CCNC(=O)COCCOCCOC 34a_100011215163_100000183381 [0,2,0,0,0,0|2,0,0]=4 10682 B13R0.2 CCNC(=O)COCCOCCOC 527a_100015525214_100011214951 [0,2,0,0,0,0|2,0,0]=4 10683 B13R0.2 CCNC(=O)COCCOCCOC 7a_100011215163_100000183381 [0,2,0,0,0,0|2,0,0]=4 10684 B13R0.2 CCNC(=O)CSCCCCCC#N 62a_100000183381_100009813376 [0,2,0,0,0,0|1,0,1]=4 10685 B13R0.2 CCNC(=O)CSCCCCCC#N 62a_100009813376_100000183381 [0,2,0,0,0,0|1,0,1]=4 10686 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000139337_100000183381 [0,2,0,0,0,0|1,0,1]=4 10687 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000183381_100000139337 [0,2,0,0,0,0|1,0,1]=4 10688 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [0,2,0,0,0,0|1,0,0]=3 10689 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [0,2,0,0,0,0|1,0,0]=3 10690 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,2,0,0,0,0|1,0,0]=3 10691 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,2,0,0,0,0|1,0,0]=3 10692 B13R0.2 CCNC(=O)CSCCOCCOC 62a_100000183381_100000695917 [0,2,0,0,0,0|2,0,0]=4 10693 B13R0.2 CCNC(=O)CSCCOCCOC 62a_100000695917_100000183381 [0,2,0,0,0,0|2,0,0]=4 10694 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,2,0,0,0,0|1,0,0]=3 10695 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,2,0,0,0,0|1,0,0]=3 10696 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,2,0,0,0,0|1,0,0]=3 10697 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,2,0,0,0,0|1,0,0]=3 10698 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,2,0,0,0,0|1,0,0]=3 10699 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,2,0,0,0,0|1,0,0]=3 10700 B13R0.2 CCNC(=O)NCCCOCCCO 2708a_100015525214_100011310245 [0,2,0,0,0,0|2,0,0]=4 10701 B13R0.2 CCNC(=O)NCCCOCCCO 273464a_100011310245_100015525214 [0,2,0,0,0,0|2,0,0]=4 10702 B13R0.2 CCNC(=O)NCCCOCCCO 273464a_100015525214_100011310245 [0,2,0,0,0,0|2,0,0]=4 10703 B13R0.2 CCNC(=O)NCCCOCCOC 2708a_100000206027_100015525214 [0,2,0,0,0,0|2,0,0]=4 10704 B13R0.2 CCNC(=O)NCCCOCCOC 2708a_100015525214_100000206027 [0,2,0,0,0,0|2,0,0]=4 10705 B13R0.2 CCNC(=O)NCCCOCCOC 273464a_100000206027_100015525214 [0,2,0,0,0,0|2,0,0]=4 10706 B13R0.2 CCNC(=O)NCCCOCCOC 273464a_100015525214_100000206027 [0,2,0,0,0,0|2,0,0]=4 10707 B13R0.2 CCNC(=O)NCCOCCOCC 2708a_100015525214_100102712874 [0,2,0,0,0,0|2,0,0]=4 10708 B13R0.2 CCNC(=O)NCCOCCOCC 2708a_100102712874_100015525214 [0,2,0,0,0,0|2,0,0]=4 10709 B13R0.2 CCNC(=O)NCCOCCOCC 273464a_100015525214_100102712874 [0,2,0,0,0,0|2,0,0]=4 10710 B13R0.2 CCNC(=O)NCCOCCOCC 273464a_100102712874_100015525214 [0,2,0,0,0,0|2,0,0]=4 10711 B13R0.2 CCNC(=O)NCCOCCOCC 512a_100102712874_100015525214 [0,2,0,0,0,0|2,0,0]=4 10712 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,2,0,0,0,0|0,0,0]=2 10713 B13R0.2 CCNN=CCCCCC(=O)OCC 4a_100000756455_100012182868 [0,2,0,0,0,0|0,0,1]=3 10714 B13R0.2 CCOC(=O)/C=C/CNCCCCO 2230a_100000750430_100016267167 [0,2,0,0,0,0|0,0,2]=4 10715 B13R0.2 CCOC(=O)/C=C/CNCCCCO 34a_100000750430_100016267167 [0,2,0,0,0,0|0,0,2]=4 10716 B13R0.2 CCOC(=O)/C=C/CNCCCOC 34a_100150723488_100016267167 [0,2,0,0,0,0|0,0,2]=4 10717 B13R0.2 CCOC(=O)/C=C/CNCCCSC 2230a_100000749238_100016267167 [0,2,0,0,0,0|0,0,2]=4 10718 B13R0.2 CCOC(=O)/C=C/CNCCSCC 2230a_100000106463_100016267167 [0,2,0,0,0,0|0,0,2]=4 10719 B13R0.2 CCOC(=O)/C=C/COCCCCBr 34a_100011216708_100016267167 [0,2,0,0,0,0|0,0,2]=4 10720 B13R0.2 CCOC(=O)/C=C/COCCCCCl 34a_100000210776_100016267167 [0,2,0,0,0,0|0,0,2]=4 10721 B13R0.2 CCOC(=O)/C=C/COCCCCCl 7a_100000210776_100016267167 [0,2,0,0,0,0|0,0,2]=4 10722 B13R0.2 CCOC(=O)/C=C/COCCCCF 34a_100011995726_100016267167 [0,2,0,0,0,0|0,0,2]=4 10723 B13R0.2 CCOC(=O)/C=C/COCCCCF 7a_100011995726_100016267167 [0,2,0,0,0,0|0,0,2]=4 10724 B13R0.2 CCOC(=O)/C=C/COCCCCI 34a_200012148704_100016267167 [0,2,0,0,0,0|0,0,2]=4 10725 B13R0.2 CCOC(=O)/C=C/COCCCCN 34a_100000750430_100016267167 [0,2,0,0,0,0|0,0,2]=4 10726 B13R0.2 CCOC(=O)/C=C/COCCCNC 34a_100000213112_100016267167 [0,2,0,0,0,0|0,0,2]=4 10727 B13R0.2 CCOC(=O)/C=C/COCCCOC 34a_100000740835_100016267167 [0,2,0,0,0,0|0,0,2]=4 10728 B13R0.2 CCOC(=O)/C=C/COCCCSC 34a_100000690336_100016267167 [0,2,0,0,0,0|0,0,2]=4 10729 B13R0.2 CCOC(=O)/C=C/COCCCSC 7a_100000690336_100016267167 [0,2,0,0,0,0|0,0,2]=4 10730 B13R0.2 CCOC(=O)/C=C/COCCSCC 34a_100000212035_100016267167 [0,2,0,0,0,0|0,0,2]=4 10731 B13R0.2 CCOC(=O)/C=C/COCCSCC 7a_100000212035_100016267167 [0,2,0,0,0,0|0,0,2]=4 10732 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100000729493_100016267167 [0,2,0,0,0,0|0,0,2]=4 10733 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100016267167_100000729493 [0,2,0,0,0,0|0,0,2]=4 10734 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100000210776_100016267167 [0,2,0,0,0,0|0,0,2]=4 10735 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100016267167_100000210776 [0,2,0,0,0,0|0,0,2]=4 10736 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100000709357_100016267167 [0,2,0,0,0,0|0,0,2]=4 10737 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100016267167_100000709357 [0,2,0,0,0,0|0,0,2]=4 10738 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100000757381_100016267167 [0,2,0,0,0,0|0,0,2]=4 10739 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100016267167_100000757381 [0,2,0,0,0,0|0,0,2]=4 10740 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,2,0,0,0,0|0,0,0]=2 10741 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,2,0,0,0,0|0,0,0]=2 10742 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,2,0,0,0,0|0,0,0]=2 10743 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,2,0,0,0,0|0,0,0]=2 10744 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,2,0,0,0,0|0,0,0]=2 10745 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,2,0,0,0,0|0,0,0]=2 10746 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,2,0,0,0,0|0,0,0]=2 10747 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,2,0,0,0,0|0,0,0]=2 10748 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,2,0,0,0,0|0,0,0]=2 10749 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,2,0,0,0,0|0,0,0]=2 10750 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,2,0,0,0,0|0,0,0]=2 10751 B13R0.2 CCOC(=O)CCCCCOCC#N 7a_100011214988_100011215382 [0,2,0,0,0,0|0,0,1]=3 10752 B13R0.2 CCOC(=O)CCCCCOCC=O 7a_100011214988_200015260668 [0,2,0,0,0,0|0,0,1]=3 10753 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,2,0,0,0,0|0,0,0]=2 10754 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,2,0,0,0,0|0,0,0]=2 10755 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,2,0,0,0,0|0,0,0]=2 10756 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,2,0,0,0,0|0,0,0]=2 10757 B13R0.2 CCOC(=O)CCCCCSCC#N 62a_100000755133_100011215382 [0,2,0,0,0,0|0,0,1]=3 10758 B13R0.2 CCOC(=O)CCCCCSCC#N 62a_100011215382_100000755133 [0,2,0,0,0,0|0,0,1]=3 10759 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_100000755133_200015260668 [0,2,0,0,0,0|0,0,1]=3 10760 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_200015260668_100000755133 [0,2,0,0,0,0|0,0,1]=3 10761 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,2,0,0,0,0|0,0,0]=2 10762 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,2,0,0,0,0|0,0,0]=2 10763 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,2,0,0,0,0|0,0,0]=2 10764 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,2,0,0,0,0|0,0,0]=2 10765 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,2,0,0,0,0|0,0,0]=2 10766 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,2,0,0,0,0|0,0,0]=2 10767 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,2,0,0,0,0|0,0,0]=2 10768 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,2,0,0,0,0|0,0,0]=2 10769 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,2,0,0,0,0|0,0,0]=2 10770 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,2,0,0,0,0|0,0,0]=2 10771 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,2,0,0,0,0|0,0,0]=2 10772 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,2,0,0,0,0|0,0,0]=2 10773 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,2,0,0,0,0|0,0,0]=2 10774 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,2,0,0,0,0|0,0,0]=2 10775 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,2,0,0,0,0|0,0,0]=2 10776 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,2,0,0,0,0|0,0,0]=2 10777 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,2,0,0,0,0|0,0,0]=2 10778 B13R0.2 CCOC(=O)CCCCOCCON 34a_100000700252_100000750268 [0,2,0,0,0,0|1,0,0]=3 10779 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,2,0,0,0,0|0,0,0]=2 10780 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,2,0,0,0,0|0,0,0]=2 10781 B13R0.2 CCOC(=O)CCCCSCCC#N 62a_100000750268_100011215226 [0,2,0,0,0,0|0,0,1]=3 10782 B13R0.2 CCOC(=O)CCCCSCCC#N 62a_100011215226_100000750268 [0,2,0,0,0,0|0,0,1]=3 10783 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,2,0,0,0,0|0,0,0]=2 10784 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,2,0,0,0,0|0,0,0]=2 10785 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,2,0,0,0,0|0,0,0]=2 10786 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,2,0,0,0,0|0,0,0]=2 10787 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,2,0,0,0,0|0,0,0]=2 10788 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,2,0,0,0,0|0,0,0]=2 10789 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,2,0,0,0,0|0,0,0]=2 10790 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,2,0,0,0,0|0,0,0]=2 10791 B13R0.2 CCOC(=O)CCCCSCSC#N 62a_100000211825_100000750268 [0,2,0,0,0,0|1,0,1]=4 10792 B13R0.2 CCOC(=O)CCCCSCSC#N 62a_100000750268_100000211825 [0,2,0,0,0,0|1,0,1]=4 10793 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,2,0,0,0,0|0,0,0]=2 10794 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,2,0,0,0,0|0,0,0]=2 10795 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,2,0,0,0,0|0,0,0]=2 10796 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,2,0,0,0,0|0,0,0]=2 10797 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,2,0,0,0,0|0,0,0]=2 10798 B13R0.2 CCOC(=O)CCCOCC#CCCl 34a_200000047223_100009991533 [0,2,0,0,0,0|0,0,2]=4 10799 B13R0.2 CCOC(=O)CCCOCC#CCO 7a_100012001163_200000047223 [0,2,0,0,0,0|0,0,2]=4 10800 B13R0.2 CCOC(=O)CCCOCCCC#N 7a_100012001163_100000687738 [0,2,0,0,0,0|0,0,1]=3 10801 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,2,0,0,0,0|0,0,1]=3 10802 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,2,0,0,0,0|0,0,0]=2 10803 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,2,0,0,0,0|0,0,0]=2 10804 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,2,0,0,0,0|0,0,0]=2 10805 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,2,0,0,0,0|0,0,0]=2 10806 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,2,0,0,0,0|0,0,0]=2 10807 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,2,0,0,0,0|0,0,0]=2 10808 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,2,0,0,0,0|0,0,0]=2 10809 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,2,0,0,0,0|0,0,0]=2 10810 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,2,0,0,0,0|0,0,0]=2 10811 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,2,0,0,0,0|0,0,0]=2 10812 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,2,0,0,0,0|0,0,0]=2 10813 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,2,0,0,0,0|0,0,0]=2 10814 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,2,0,0,0,0|0,0,0]=2 10815 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,2,0,0,0,0|0,0,0]=2 10816 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,2,0,0,0,0|0,0,0]=2 10817 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,2,0,0,0,0|0,0,0]=2 10818 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,2,0,0,0,0|0,0,0]=2 10819 B13R0.2 CCOC(=O)CCCSCC#CCO 62a_100009991533_200000047223 [0,2,0,0,0,0|0,0,2]=4 10820 B13R0.2 CCOC(=O)CCCSCC#CCO 62a_200000047223_100009991533 [0,2,0,0,0,0|0,0,2]=4 10821 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100000687738_100009991533 [0,2,0,0,0,0|0,0,1]=3 10822 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100009991533_100000687738 [0,2,0,0,0,0|0,0,1]=3 10823 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,2,0,0,0,0|0,0,1]=3 10824 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,2,0,0,0,0|0,0,1]=3 10825 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,2,0,0,0,0|0,0,0]=2 10826 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,2,0,0,0,0|0,0,0]=2 10827 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,2,0,0,0,0|0,0,0]=2 10828 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,2,0,0,0,0|0,0,0]=2 10829 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,2,0,0,0,0|0,0,0]=2 10830 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,2,0,0,0,0|0,0,0]=2 10831 B13R0.2 CCOC(=O)CCCSCCSC#N 62a_100000034367_100009991533 [0,2,0,0,0,0|1,0,1]=4 10832 B13R0.2 CCOC(=O)CCCSCCSC#N 62a_100009991533_100000034367 [0,2,0,0,0,0|1,0,1]=4 10833 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,2,0,0,0,0|0,0,0]=2 10834 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,2,0,0,0,0|0,0,0]=2 10835 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,2,0,0,0,0|0,0,0]=2 10836 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,2,0,0,0,0|0,0,0]=2 10837 B13R0.2 CCOC(=O)CCNCCCN=[N+]=[N-] 2230a_100000744732_100011206558 [0,2,0,0,0,0|2,0,0]=4 10838 B13R0.2 CCOC(=O)CCNCCOCCO 2230a_100000211614_100011206558 [0,2,0,0,0,0|1,0,0]=3 10839 B13R0.2 CCOC(=O)CCNCCOCCO 34a_100000211614_100000765890 [0,2,0,0,0,0|1,0,0]=3 10840 B13R0.2 CCOC(=O)CCNCCSCCO 2230a_100011219999_100011206558 [0,2,0,0,0,0|1,0,0]=3 10841 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,2,0,0,0,0|0,0,0]=2 10842 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,2,0,0,0,0|0,0,0]=2 10843 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,2,0,0,0,0|0,0,0]=2 10844 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,2,0,0,0,0|0,0,0]=2 10845 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,2,0,0,0,0|0,0,0]=2 10846 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,2,0,0,0,0|0,0,0]=2 10847 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,2,0,0,0,0|0,0,0]=2 10848 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,2,0,0,0,0|0,0,0]=2 10849 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,2,0,0,0,0|0,0,0]=2 10850 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,2,0,0,0,0|0,0,0]=2 10851 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,2,0,0,0,0|0,0,0]=2 10852 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,2,0,0,0,0|0,0,0]=2 10853 B13R0.2 CCOC(=O)CCOCCOCCBr 34a_100000692535_100000765890 [0,2,0,0,0,0|1,0,0]=3 10854 B13R0.2 CCOC(=O)CCOCCOCCBr 7a_100000692535_100011206558 [0,2,0,0,0,0|1,0,0]=3 10855 B13R0.2 CCOC(=O)CCOCCOCCCl 34a_100011215305_100000765890 [0,2,0,0,0,0|1,0,0]=3 10856 B13R0.2 CCOC(=O)CCOCCOCCCl 7a_100011215305_100011206558 [0,2,0,0,0,0|1,0,0]=3 10857 B13R0.2 CCOC(=O)CCOCCOCCF 34a_200015357709_100000765890 [0,2,0,0,0,0|1,0,0]=3 10858 B13R0.2 CCOC(=O)CCOCCOCCF 7a_200015357709_100011206558 [0,2,0,0,0,0|1,0,0]=3 10859 B13R0.2 CCOC(=O)CCOCCOCCI 34a_100012149058_100000765890 [0,2,0,0,0,0|1,0,0]=3 10860 B13R0.2 CCOC(=O)CCOCCOCCI 7a_100012149058_100011206558 [0,2,0,0,0,0|1,0,0]=3 10861 B13R0.2 CCOC(=O)CCOCCOCCN 34a_100000211614_100000765890 [0,2,0,0,0,0|1,0,0]=3 10862 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100000765890_100000211819 [0,2,0,0,0,0|0,0,1]=3 10863 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100011219923_100000765890 [0,2,0,0,0,0|0,0,1]=3 10864 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,2,0,0,0,0|0,0,1]=3 10865 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,2,0,0,0,0|0,0,1]=3 10866 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,2,0,0,0,0|0,0,0]=2 10867 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,2,0,0,0,0|0,0,0]=2 10868 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,2,0,0,0,0|0,0,0]=2 10869 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,2,0,0,0,0|0,0,0]=2 10870 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,2,0,0,0,0|0,0,0]=2 10871 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,2,0,0,0,0|0,0,0]=2 10872 B13R0.2 CCOC(=O)CCSCCOCC#N 62a_100000765890_200000047693 [0,2,0,0,0,0|1,0,1]=4 10873 B13R0.2 CCOC(=O)CCSCCOCC#N 62a_200000047693_100000765890 [0,2,0,0,0,0|1,0,1]=4 10874 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100000765890_100011215305 [0,2,0,0,0,0|1,0,0]=3 10875 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100011215305_100000765890 [0,2,0,0,0,0|1,0,0]=3 10876 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000231047_100000765890 [0,2,0,0,0,0|1,0,0]=3 10877 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000765890_100000231047 [0,2,0,0,0,0|1,0,0]=3 10878 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,2,0,0,0,0|0,0,0]=2 10879 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,2,0,0,0,0|0,0,0]=2 10880 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,2,0,0,0,0|0,0,0]=2 10881 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,2,0,0,0,0|0,0,0]=2 10882 B13R0.2 CCOC(=O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100000188475 [0,2,0,0,0,0|2,0,0]=4 10883 B13R0.2 CCOC(=O)CNCCOCCOC 2230a_100000745349_100000188475 [0,2,0,0,0,0|1,0,0]=3 10884 B13R0.2 CCOC(=O)CNCCOCCOC 34a_100000745349_100000188475 [0,2,0,0,0,0|1,0,0]=3 10885 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,2,0,0,0,0|0,0,0]=2 10886 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,2,0,0,0,0|0,0,0]=2 10887 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,2,0,0,0,0|0,0,0]=2 10888 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,2,0,0,0,0|0,0,0]=2 10889 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,2,0,0,0,0|0,0,0]=2 10890 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,2,0,0,0,0|0,0,0]=2 10891 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,2,0,0,0,0|0,0,0]=2 10892 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,2,0,0,0,0|0,0,0]=2 10893 B13R0.2 CCOC(=O)COCCCNCCF 34a_100000724931_100009893628 [0,2,0,0,0,0|1,0,0]=3 10894 B13R0.2 CCOC(=O)COCCCNCCO 2230a_100016997473_100009893628 [0,2,0,0,0,0|1,0,0]=3 10895 B13R0.2 CCOC(=O)COCCCNCCO 34a_100016990907_100009893628 [0,2,0,0,0,0|1,0,0]=3 10896 B13R0.2 CCOC(=O)COCCCOCCBr 34a_100000211926_100009893628 [0,2,0,0,0,0|1,0,0]=3 10897 B13R0.2 CCOC(=O)COCCCOCCN 34a_100000210304_100009893628 [0,2,0,0,0,0|1,0,0]=3 10898 B13R0.2 CCOC(=O)COCCCSCC#N 62a_100009893628_100011215382 [0,2,0,0,0,0|1,0,1]=4 10899 B13R0.2 CCOC(=O)COCCCSCC#N 62a_100011215382_100009893628 [0,2,0,0,0,0|1,0,1]=4 10900 B13R0.2 CCOC(=O)COCCCSCC=O 62a_100009893628_200015260668 [0,2,0,0,0,0|1,0,1]=4 10901 B13R0.2 CCOC(=O)COCCCSCC=O 62a_200015260668_100009893628 [0,2,0,0,0,0|1,0,1]=4 10902 B13R0.2 CCOC(=O)COCCCSCCF 62a_100009893628_100011217306 [0,2,0,0,0,0|1,0,0]=3 10903 B13R0.2 CCOC(=O)COCCCSCCF 62a_100011217306_100009893628 [0,2,0,0,0,0|1,0,0]=3 10904 B13R0.2 CCOC(=O)COCCCSCCO 62a_100000211926_100009893628 [0,2,0,0,0,0|1,0,0]=3 10905 B13R0.2 CCOC(=O)COCCCSCCO 62a_100009893628_100000211926 [0,2,0,0,0,0|1,0,0]=3 10906 B13R0.2 CCOC(=O)COCCCSCOC 62a_100000766300_100009893628 [0,2,0,0,0,0|1,0,0]=3 10907 B13R0.2 CCOC(=O)COCCCSCOC 62a_100009893628_100000766300 [0,2,0,0,0,0|1,0,0]=3 10908 B13R0.2 CCOC(=O)COCCCSCSC 62a_100009893628_100011218213 [0,2,0,0,0,0|1,0,0]=3 10909 B13R0.2 CCOC(=O)COCCCSCSC 62a_100011218213_100009893628 [0,2,0,0,0,0|1,0,0]=3 10910 B13R0.2 CCOC(=O)COCCNCCCF 2230a_100015189416_100000088970 [0,2,0,0,0,0|1,0,0]=3 10911 B13R0.2 CCOC(=O)COCCNCCCF 34a_100015189416_100000088970 [0,2,0,0,0,0|1,0,0]=3 10912 B13R0.2 CCOC(=O)COCCNCCOC 2230a_100000209980_100000088970 [0,2,0,0,0,0|1,0,0]=3 10913 B13R0.2 CCOC(=O)COCCNCCSC 2230a_100020590264_100000088970 [0,2,0,0,0,0|1,0,0]=3 10914 B13R0.2 CCOC(=O)COCCOCCCBr 34a_100011217188_100000088970 [0,2,0,0,0,0|1,0,0]=3 10915 B13R0.2 CCOC(=O)COCCOCCCCl 34a_100000230001_100000088970 [0,2,0,0,0,0|1,0,0]=3 10916 B13R0.2 CCOC(=O)COCCOCCCF 34a_100000759539_100000088970 [0,2,0,0,0,0|1,0,0]=3 10917 B13R0.2 CCOC(=O)COCCOCCCN 34a_100000182051_100000088970 [0,2,0,0,0,0|1,0,0]=3 10918 B13R0.2 CCOC(=O)COCCOCCNC 34a_100000228057_100000188475 [0,2,0,0,0,0|1,0,0]=3 10919 B13R0.2 CCOC(=O)COCCOCCOC 34a_100000210237_100000088970 [0,2,0,0,0,0|1,0,0]=3 10920 B13R0.2 CCOC(=O)COCCOCCOC 34a_100011215163_100000188475 [0,2,0,0,0,0|1,0,0]=3 10921 B13R0.2 CCOC(=O)COCCOCCOC 7a_100011215163_100000188475 [0,2,0,0,0,0|1,0,0]=3 10922 B13R0.2 CCOC(=O)COCCOCCON 34a_100000700252_100000088970 [0,2,0,0,0,0|2,0,0]=4 10923 B13R0.2 CCOC(=O)COCCOCCSC 34a_100000230434_100000088970 [0,2,0,0,0,0|1,0,0]=3 10924 B13R0.2 CCOC(=O)COCCOCCSC 7a_100000230434_100000088970 [0,2,0,0,0,0|1,0,0]=3 10925 B13R0.2 CCOC(=O)COCCSCCC#N 62a_100000088970_100011215226 [0,2,0,0,0,0|1,0,1]=4 10926 B13R0.2 CCOC(=O)COCCSCCC#N 62a_100011215226_100000088970 [0,2,0,0,0,0|1,0,1]=4 10927 B13R0.2 CCOC(=O)COCCSCCCF 62a_100000088970_100011934791 [0,2,0,0,0,0|1,0,0]=3 10928 B13R0.2 CCOC(=O)COCCSCCCF 62a_100011934791_100000088970 [0,2,0,0,0,0|1,0,0]=3 10929 B13R0.2 CCOC(=O)COCCSCCCO 62a_100000088970_100011215043 [0,2,0,0,0,0|1,0,0]=3 10930 B13R0.2 CCOC(=O)COCCSCCCO 62a_100011215043_100000088970 [0,2,0,0,0,0|1,0,0]=3 10931 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000088970_100000233755 [0,2,0,0,0,0|1,0,0]=3 10932 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000233755_100000088970 [0,2,0,0,0,0|1,0,0]=3 10933 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000088970_100000751147 [0,2,0,0,0,0|1,0,0]=3 10934 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000212216_100000088970 [0,2,0,0,0,0|1,0,0]=3 10935 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100000188475_100009813376 [0,2,0,0,0,0|0,0,1]=3 10936 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100009813376_100000188475 [0,2,0,0,0,0|0,0,1]=3 10937 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,2,0,0,0,0|0,0,1]=3 10938 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,2,0,0,0,0|0,0,1]=3 10939 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,2,0,0,0,0|0,0,0]=2 10940 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,2,0,0,0,0|0,0,0]=2 10941 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,2,0,0,0,0|0,0,0]=2 10942 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,2,0,0,0,0|0,0,0]=2 10943 B13R0.2 CCOC(=O)CSCCOCCC#N 7a_200000230590_100000184422 [0,2,0,0,0,0|1,0,1]=4 10944 B13R0.2 CCOC(=O)CSCCOCCCF 7a_200000230590_100011934791 [0,2,0,0,0,0|1,0,0]=3 10945 B13R0.2 CCOC(=O)CSCCOCCCO 7a_200000230590_100011215043 [0,2,0,0,0,0|1,0,0]=3 10946 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000188475_100000695917 [0,2,0,0,0,0|1,0,0]=3 10947 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000695917_100000188475 [0,2,0,0,0,0|1,0,0]=3 10948 B13R0.2 CCOC(=O)CSCCOCCOC 7a_200000230590_100000233755 [0,2,0,0,0,0|1,0,0]=3 10949 B13R0.2 CCOC(=O)CSCCOCCSC 7a_200000230590_100000212216 [0,2,0,0,0,0|1,0,0]=3 10950 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,2,0,0,0,0|1,0,0]=3 10951 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,2,0,0,0,0|1,0,0]=3 10952 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,2,0,0,0,0|1,0,0]=3 10953 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,2,0,0,0,0|1,0,0]=3 10954 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,2,0,0,0,0|1,0,0]=3 10955 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,2,0,0,0,0|1,0,0]=3 10956 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,2,0,0,0,0|1,0,0]=3 10957 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,2,0,0,0,0|1,0,0]=3 10958 B13R0.2 CCOC(=O)NCCSCCCC#N 62a_100000687738_200011445536 [0,2,0,0,0,0|1,0,1]=4 10959 B13R0.2 CCOC(=O)NCCSCCCC=O 62a_200011292268_200011445536 [0,2,0,0,0,0|1,0,1]=4 10960 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,2,0,0,0,0|1,0,0]=3 10961 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,2,0,0,0,0|1,0,0]=3 10962 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,2,0,0,0,0|1,0,0]=3 10963 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,2,0,0,0,0|1,0,0]=3 10964 B13R0.2 CCOC(=O)OCSCCCCC#N 62a_100011219923_100000075025 [0,2,0,0,0,0|1,0,1]=4 10965 B13R0.2 CCOC(=O)OCSCCCCC=O 62a_100000139335_100000075025 [0,2,0,0,0,0|1,0,1]=4 10966 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,2,0,0,0,0|1,0,0]=3 10967 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,2,0,0,0,0|1,0,0]=3 10968 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,2,0,0,0,0|1,0,0]=3 10969 B13R0.2 CCOC(=O)OCSCCOCCO 62a_100011215305_100000075025 [0,2,0,0,0,0|2,0,0]=4 10970 B13R0.2 CCOC(=O)OCSCOCCOC 62a_100000231047_100000075025 [0,2,0,0,0,0|2,0,0]=4 10971 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,2,0,0,0,0|0,0,0]=2 10972 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,2,0,0,0,0|0,0,0]=2 10973 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,2,0,0,0,0|0,0,0]=2 10974 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,2,0,0,0,0|0,0,0]=2 10975 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,2,0,0,0,0|0,0,0]=2 10976 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,2,0,0,0,0|0,0,0]=2 10977 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,2,0,0,0,0|0,0,0]=2 10978 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,2,0,0,0,0|1,0,0]=3 10979 B13R0.2 CCOCCNC/C=C/C(=O)OCC 2230a_102516460346_100016267167 [0,2,0,0,0,0|0,0,2]=4 10980 B13R0.2 CCOCCNC/C=C/C(=O)OCC 34a_102516460346_100016267167 [0,2,0,0,0,0|0,0,2]=4 10981 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,2,0,0,0,0|0,0,0]=2 10982 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,2,0,0,0,0|0,0,0]=2 10983 B13R0.2 CCOCCOC/C=C/C(=O)OCC 34a_100000210136_100016267167 [0,2,0,0,0,0|0,0,2]=4 10984 B13R0.2 CCOCCOC/C=C/C(=O)OCC 7a_100000210136_100016267167 [0,2,0,0,0,0|0,0,2]=4 10985 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,2,0,0,0,0|0,0,0]=2 10986 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,2,0,0,0,0|0,0,0]=2 10987 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,2,0,0,0,0|0,0,0]=2 10988 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,2,0,0,0,0|1,0,0]=3 10989 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,2,0,0,0,0|1,0,0]=3 10990 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100000210147_100016267167 [0,2,0,0,0,0|0,0,2]=4 10991 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215890 [0,2,0,0,0,0|0,0,2]=4 10992 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,2,0,0,0,0|0,0,0]=2 10993 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,2,0,0,0,0|0,0,0]=2 10994 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,2,0,0,0,0|1,0,0]=3 10995 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,2,0,0,0,0|0,0,0]=2 10996 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,2,0,0,0,0|0,0,0]=2 10997 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000088970_100000739092 [0,2,0,0,0,0|1,0,0]=3 10998 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000739092_100000088970 [0,2,0,0,0,0|1,0,0]=3 10999 B13R0.2 CNCCCCCOCC(=O)NCO 34a_100000722520_100000185155 [0,2,0,0,0,0|2,0,0]=4 11000 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,2,0,0,0,0|2,0,0]=4 11001 B13R0.2 CNNC(=O)NCCCCCCCO 273464a_100011996573_100016993582 [0,2,0,0,0,0|2,0,0]=4 11002 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100011996573_100016993582 [0,2,0,0,0,0|2,0,0]=4 11003 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100016993582_100011996573 [0,2,0,0,0,0|2,0,0]=4 11004 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,2,0,0,0,0|2,0,0]=4 11005 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,2,0,0,0,0|2,0,0]=4 11006 B13R0.2 COCCCCCNCC(=O)NCO 2230a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 11007 B13R0.2 COCCCCCNCC(=O)NCO 34a_100000747528_100000185155 [0,2,0,0,0,0|2,0,0]=4 11008 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,2,0,0,0,0|2,0,0]=4 11009 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,2,0,0,0,0|2,0,0]=4 11010 B13R0.2 NCCCCCCOCC(=O)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 11011 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,2,0,0,0,0|2,0,0]=4 11012 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,2,0,0,0,0|2,0,0]=4 11013 B13R0.2 O=C(CNCCCCCCO)NCO 2230a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 11014 B13R0.2 O=C(CNCCCCCCO)NCO 34a_100000686447_100000185155 [0,2,0,0,0,0|2,0,0]=4 11015 B13R0.2 O=C(COCCCCCCBr)NCO 34a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 11016 B13R0.2 O=C(COCCCCCCBr)NCO 7a_100011215345_100000185155 [0,2,0,0,0,0|2,0,0]=4 11017 B13R0.2 O=C(COCCCCCCCl)NCO 34a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 11018 B13R0.2 O=C(COCCCCCCCl)NCO 7a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 11019 B13R0.2 O=C(COCCCCCCF)NCO 34a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 11020 B13R0.2 O=C(COCCCCCCF)NCO 7a_100000732779_100000185155 [0,2,0,0,0,0|2,0,0]=4 11021 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100000185155_100015922095 [0,2,0,0,0,0|2,0,0]=4 11022 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100015922095_100000185155 [0,2,0,0,0,0|2,0,0]=4 11023 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000185155_100000766143 [0,2,0,0,0,0|2,0,0]=4 11024 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000766143_100000185155 [0,2,0,0,0,0|2,0,0]=4 11025 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [0,2,0,0,0,0|1,0,1]=4 11026 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [0,2,0,0,0,0|1,0,1]=4 11027 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100000692101_100000760002 [0,2,0,0,0,0|1,0,1]=4 11028 B13R0.66 C#CCCC(=O)CCCCCCCO 1458a_100011219782_100000753159 [0,2,0,0,0,0|1,0,1]=4 11029 B13R0.66 C#CCCC(=O)CCCCCCOC 1458a_100000692101_100011998445 [0,2,0,0,0,0|1,0,1]=4 11030 B13R0.66 C#CCCC(=O)CCOCCCCC 34a_100011064465_100000718602 [0,2,0,0,0,0|1,0,1]=4 11031 B13R0.66 C#CCCC(=O)CCOCCCCC 7a_100011064465_100000210326 [0,2,0,0,0,0|1,0,1]=4 11032 B13R0.66 C#CCCC(=O)NCCCCCCC 11a_100000229938_100000692101 [0,2,0,0,0,0|1,0,1]=4 11033 B13R0.66 C#CCCC(=O)NCCCCCCC 1626a_100000229938_100000692101 [0,2,0,0,0,0|1,0,1]=4 11034 B13R0.66 C#CCCC(=O)NCCCCCCC 240690a_100000229938_100000692101 [0,2,0,0,0,0|1,0,1]=4 11035 B13R0.66 C#CCCC(=O)NCCCCCCC 527a_100000229938_100000692101 [0,2,0,0,0,0|1,0,1]=4 11036 B13R0.66 C#CCCCCCCC(=O)C#CCC 1458a_100011827653_100012276617 [0,2,0,0,0,0|1,0,1]=4 11037 B13R0.66 C#CCCCCCCC(=O)C=CCC 1458a_100000212282_100012276617 [0,2,0,0,0,0|1,0,1]=4 11038 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000034748_100000210211 [0,2,0,0,0,0|1,0,1]=4 11039 B13R0.66 C#CCCCCCCC(=O)CCCC 1458a_100000210183_100012276617 [0,2,0,0,0,0|1,0,1]=4 11040 B13R0.66 C#CCCCCCCC(=O)CCCF 1458a_100000034748_100011934791 [0,2,0,0,0,0|1,0,1]=4 11041 B13R0.66 C#CCCCCCCC(=O)CCCO 1458a_100000034748_100011215043 [0,2,0,0,0,0|1,0,1]=4 11042 B13R0.66 C#CCCCCCCC(=O)CCOC 1458a_100000034748_100000233755 [0,2,0,0,0,0|1,0,1]=4 11043 B13R0.66 C#CCCCCCCC(=O)CCOC 1458a_100000749529_100012276617 [0,2,0,0,0,0|1,0,1]=4 11044 B13R0.66 C#CCCCCCCC(=O)CCSC 1458a_100000034748_100000751147 [0,2,0,0,0,0|1,0,1]=4 11045 B13R0.66 C#CCCCCCCC(=O)CCSC 1458a_100000174002_100012276617 [0,2,0,0,0,0|1,0,1]=4 11046 B13R0.66 C#CCCCCCCC(=O)COCC 1458a_100000211967_100012276617 [0,2,0,0,0,0|0,0,1]=3 11047 B13R0.66 C#CCCCCCCC(=O)CSCC 1458a_100000230394_100012276617 [0,2,0,0,0,0|0,1,1]=4 11048 B13R0.66 C#CCCCCCCC(=O)NCCC 11a_100020643023_100000034748 [0,2,0,0,0,0|1,0,1]=4 11049 B13R0.66 C#CCCCCCCC(=O)NCCC 1626a_100020643023_100000034748 [0,2,0,0,0,0|1,0,1]=4 11050 B13R0.66 C#CCCCCCCC(=O)NCCC 240690a_100020643023_100000034748 [0,2,0,0,0,0|1,0,1]=4 11051 B13R0.66 C#CCCCCCCC(=O)NCCC 527a_100020643023_100000034748 [0,2,0,0,0,0|1,0,1]=4 11052 B13R0.66 C#CCCCCCCC(=O)NCCF 11a_100000724931_100000034748 [0,2,0,0,0,0|1,0,1]=4 11053 B13R0.66 C#CCCCCCCC(=O)NCCF 1626a_100000724931_100000034748 [0,2,0,0,0,0|1,0,1]=4 11054 B13R0.66 C#CCCCCCCC(=O)NCCF 240690a_100000724931_100000034748 [0,2,0,0,0,0|1,0,1]=4 11055 B13R0.66 C#CCCCCCCC(=O)NCCF 527a_100000724931_100000034748 [0,2,0,0,0,0|1,0,1]=4 11056 B13R0.66 C#CCCCCCCC(=O)NCCO 240690a_100000210304_100000034748 [0,2,0,0,0,0|1,0,1]=4 11057 B13R0.66 C#CCCCCCCC(=O)NCCO 527a_100000210304_100000034748 [0,2,0,0,0,0|1,0,1]=4 11058 B13R0.66 C#CCCCCCCC(=O)NNCC 22a_100000756455_100000034748 [0,2,0,0,0,0|1,0,1]=4 11059 B13R0.66 C#CCCCCNCC(=O)OCCC 2230a_100000706060_200011215008 [0,2,0,0,0,0|0,0,2]=4 11060 B13R0.66 C#CCCCCNCC(=O)OCCC 34a_100000706060_200011215008 [0,2,0,0,0,0|0,0,2]=4 11061 B13R0.66 C#CCCCCOCC(=O)OCCC 34a_100000766709_200011215008 [0,2,0,0,0,0|0,0,2]=4 11062 B13R0.66 C#CCCCCOCC(=O)OCCC 7a_100000766709_200011215008 [0,2,0,0,0,0|0,0,2]=4 11063 B13R0.66 C#CCCCCSCC(=O)OCCC 62a_100010269958_200011215008 [0,2,0,0,0,0|0,0,2]=4 11064 B13R0.66 C#CCCCCSCC(=O)OCCC 62a_200011215008_100010269958 [0,2,0,0,0,0|0,0,2]=4 11065 B13R0.66 C#CCNC(=O)CCCCCCCC 11a_100000212058_100000210188 [0,2,0,0,0,0|1,0,1]=4 11066 B13R0.66 C#CCNC(=O)CCCCCCCC 1626a_100000212058_100000210188 [0,2,0,0,0,0|1,0,1]=4 11067 B13R0.66 C#CCNC(=O)CCCCCCCC 240690a_100000212058_100000210188 [0,2,0,0,0,0|1,0,1]=4 11068 B13R0.66 C#CCNC(=O)CCCCCCCC 527a_100000212058_100000210188 [0,2,0,0,0,0|1,0,1]=4 11069 B13R0.66 C#CCNC(=O)CCCCCCCO 240690a_100000212058_100011219782 [0,2,0,0,0,0|1,0,1]=4 11070 B13R0.66 C#CCNC(=O)CNCCCCCC 2230a_100000747989_100000210314 [0,2,0,0,0,0|1,0,1]=4 11071 B13R0.66 C#CCNC(=O)CNCCCCCC 34a_100000747989_100000210314 [0,2,0,0,0,0|1,0,1]=4 11072 B13R0.66 C#CCNC(=O)NCCCCCCC 2708a_100000212058_100000229938 [0,2,0,0,0,0|1,0,1]=4 11073 B13R0.66 C#CCNC(=O)NCCCCCCC 2708a_100000229938_100000212058 [0,2,0,0,0,0|1,0,1]=4 11074 B13R0.66 C#CCNC(=O)NCCCCCCC 273464a_100000212058_100000229938 [0,2,0,0,0,0|1,0,1]=4 11075 B13R0.66 C#CCNC(=O)NCCCCCCC 273464a_100000229938_100000212058 [0,2,0,0,0,0|1,0,1]=4 11076 B13R0.66 C#CCNC(=O)NCCCCCCC 512a_100000212058_100000229938 [0,2,0,0,0,0|1,0,1]=4 11077 B13R0.66 C#CCNC(=O)NCCCCCCC 512a_100000229938_100000212058 [0,2,0,0,0,0|1,0,1]=4 11078 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [0,2,0,0,0,0|1,0,1]=4 11079 B13R0.66 C/C=C/CC(=O)CCCCCCCO 1458a_100011219782_100102629194 [0,2,0,0,0,0|1,0,1]=4 11080 B13R0.66 C=C(CNCCCCCO)OCOC 34a_100000762737_100000042856 [0,2,0,0,0,0|2,0,0]=4 11081 B13R0.66 C=C(CNCCCOCC)OCOC 34a_100000210961_100000042856 [0,2,0,0,0,0|2,0,0]=4 11082 B13R0.66 C=C(CNCCOCCC)OCOC 34a_100161115042_100000042856 [0,2,0,0,0,0|2,0,0]=4 11083 B13R0.66 C=C(COCCCCCBr)OCOC 34a_100000746331_100000042856 [0,2,0,0,0,0|2,0,0]=4 11084 B13R0.66 C=C(COCCCCCC)OCOC 34a_100000210259_100000042856 [0,2,0,0,0,0|1,0,0]=3 11085 B13R0.66 C=C(COCCCCCCl)OCOC 34a_100000746330_100000042856 [0,2,0,0,0,0|2,0,0]=4 11086 B13R0.66 C=C(COCCCCCI)OCOC 34a_200012148887_100000042856 [0,2,0,0,0,0|2,0,0]=4 11087 B13R0.66 C=C(COCCCCCN)OCOC 34a_100000762737_100000042856 [0,2,0,0,0,0|2,0,0]=4 11088 B13R0.66 C=C(COCCCCOC)OCOC 34a_100000740925_100000042856 [0,2,0,0,0,0|2,0,0]=4 11089 B13R0.66 C=C(COCCCCSC)OCOC 34a_100011217163_100000042856 [0,2,0,0,0,0|2,0,0]=4 11090 B13R0.66 C=C(COCCCOCC)OCOC 34a_100000757476_100000042856 [0,2,0,0,0,0|2,0,0]=4 11091 B13R0.66 C=C(COCCCSCC)OCOC 34a_100011216438_100000042856 [0,2,0,0,0,0|2,0,0]=4 11092 B13R0.66 C=C(COCCOCCC)OCOC 34a_100000752267_100000042856 [0,2,0,0,0,0|2,0,0]=4 11093 B13R0.66 C=C(COCCSCCC)OCOC 34a_200000230433_100000042856 [0,2,0,0,0,0|2,0,0]=4 11094 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000042856_100000210757 [0,2,0,0,0,0|1,0,0]=3 11095 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000210314_100000042856 [0,2,0,0,0,0|1,0,0]=3 11096 B13R0.66 C=C(CSCCCCCF)OCOC 62a_100000042856_100000729378 [0,2,0,0,0,0|2,0,0]=4 11097 B13R0.66 C=C(CSCCCCCF)OCOC 62a_100000729378_100000042856 [0,2,0,0,0,0|2,0,0]=4 11098 B13R0.66 C=C(CSCCCCCO)OCOC 62a_100000042856_100000746330 [0,2,0,0,0,0|2,0,0]=4 11099 B13R0.66 C=C(CSCCCCCO)OCOC 62a_100000746330_100000042856 [0,2,0,0,0,0|2,0,0]=4 11100 B13R0.66 C=C(CSCCCCOC)OCOC 62a_100000042856_100000730899 [0,2,0,0,0,0|2,0,0]=4 11101 B13R0.66 C=C(CSCCCCOC)OCOC 62a_100000730899_100000042856 [0,2,0,0,0,0|2,0,0]=4 11102 B13R0.66 C=C(CSCCCOCC)OCOC 62a_100000042856_100012232248 [0,2,0,0,0,0|2,0,0]=4 11103 B13R0.66 C=C(CSCCCOCC)OCOC 62a_100012232248_100000042856 [0,2,0,0,0,0|2,0,0]=4 11104 B13R0.66 C=C(CSCCOCCC)OCOC 62a_100000042856_100011215938 [0,2,0,0,0,0|2,0,0]=4 11105 B13R0.66 C=C(CSCCOCCC)OCOC 62a_100011215938_100000042856 [0,2,0,0,0,0|2,0,0]=4 11106 B13R0.66 C=C(CSCOCCCC)OCOC 62a_100000042856_100011995733 [0,2,0,0,0,0|2,0,0]=4 11107 B13R0.66 C=C(CSCOCCCC)OCOC 62a_100011995733_100000042856 [0,2,0,0,0,0|2,0,0]=4 11108 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [0,2,0,0,0,0|1,0,1]=4 11109 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [0,2,0,0,0,0|1,0,1]=4 11110 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100000749702_100000760002 [0,2,0,0,0,0|1,0,1]=4 11111 B13R0.66 C=CCCC(=O)CCCCCCCO 1458a_100011219782_100000754431 [0,2,0,0,0,0|1,0,1]=4 11112 B13R0.66 C=CCCC(=O)CCCCCCOC 1458a_100000749702_100011998445 [0,2,0,0,0,0|1,0,1]=4 11113 B13R0.66 C=CCCC(=O)NCCCCCCC 11a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 11114 B13R0.66 C=CCCC(=O)NCCCCCCC 1626a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 11115 B13R0.66 C=CCCC(=O)NCCCCCCC 240690a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 11116 B13R0.66 C=CCCC(=O)NCCCCCCC 527a_100000229938_100000749702 [0,2,0,0,0,0|1,0,1]=4 11117 B13R0.66 C=CCCCCCCC(=O)C#CCC 1458a_100011827653_100011215473 [0,2,0,0,0,0|1,0,1]=4 11118 B13R0.66 C=CCCCCCCC(=O)C=CCC 1458a_100000212282_100011215473 [0,2,0,0,0,0|1,0,1]=4 11119 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100000210183_100011215473 [0,2,0,0,0,0|1,0,1]=4 11120 B13R0.66 C=CCCCCCCC(=O)CCCC 1458a_100011809334_100000210211 [0,2,0,0,0,0|1,0,1]=4 11121 B13R0.66 C=CCCCCCCC(=O)CCCF 1458a_100011809334_100011934791 [0,2,0,0,0,0|1,0,1]=4 11122 B13R0.66 C=CCCCCCCC(=O)CCCO 1458a_100011809334_100011215043 [0,2,0,0,0,0|1,0,1]=4 11123 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100000749529_100011215473 [0,2,0,0,0,0|1,0,1]=4 11124 B13R0.66 C=CCCCCCCC(=O)CCOC 1458a_100011809334_100000233755 [0,2,0,0,0,0|1,0,1]=4 11125 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100000174002_100011215473 [0,2,0,0,0,0|1,0,1]=4 11126 B13R0.66 C=CCCCCCCC(=O)CCSC 1458a_100011809334_100000751147 [0,2,0,0,0,0|1,0,1]=4 11127 B13R0.66 C=CCCCCCCC(=O)COCC 1458a_100000211967_100011215473 [0,2,0,0,0,0|0,0,1]=3 11128 B13R0.66 C=CCCCCCCC(=O)CSCC 1458a_100000230394_100011215473 [0,2,0,0,0,0|0,1,1]=4 11129 B13R0.66 C=CCCCCCCC(=O)NCCC 11a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 11130 B13R0.66 C=CCCCCCCC(=O)NCCC 1626a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 11131 B13R0.66 C=CCCCCCCC(=O)NCCC 240690a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 11132 B13R0.66 C=CCCCCCCC(=O)NCCC 527a_100020643023_100011809334 [0,2,0,0,0,0|1,0,1]=4 11133 B13R0.66 C=CCCCCCCC(=O)NCCF 11a_100000724931_100011809334 [0,2,0,0,0,0|1,0,1]=4 11134 B13R0.66 C=CCCCCCCC(=O)NCCF 1626a_100000724931_100011809334 [0,2,0,0,0,0|1,0,1]=4 11135 B13R0.66 C=CCCCCCCC(=O)NCCF 240690a_100000724931_100011809334 [0,2,0,0,0,0|1,0,1]=4 11136 B13R0.66 C=CCCCCCCC(=O)NCCF 527a_100000724931_100011809334 [0,2,0,0,0,0|1,0,1]=4 11137 B13R0.66 C=CCCCCCCC(=O)NCCO 240690a_100000210304_100011809334 [0,2,0,0,0,0|1,0,1]=4 11138 B13R0.66 C=CCCCCCCC(=O)NCCO 527a_100000210304_100011809334 [0,2,0,0,0,0|1,0,1]=4 11139 B13R0.66 C=CCCCCCCC(=O)NNCC 22a_100000756455_100011809334 [0,2,0,0,0,0|1,0,1]=4 11140 B13R0.66 C=CCCCCNCC(=O)OCCC 2230a_100000703577_200011215008 [0,2,0,0,0,0|0,0,2]=4 11141 B13R0.66 C=CCCCCNCC(=O)OCCC 34a_100000703577_200011215008 [0,2,0,0,0,0|0,0,2]=4 11142 B13R0.66 C=CCCCCOCC(=O)OCCC 34a_100000766645_200011215008 [0,2,0,0,0,0|0,0,2]=4 11143 B13R0.66 C=CCCCCOCC(=O)OCCC 7a_100000766645_200011215008 [0,2,0,0,0,0|0,0,2]=4 11144 B13R0.66 C=CCCCCSCC(=O)OCCC 62a_100011215482_200011215008 [0,2,0,0,0,0|0,0,2]=4 11145 B13R0.66 C=CCCCCSCC(=O)OCCC 62a_200011215008_100011215482 [0,2,0,0,0,0|0,0,2]=4 11146 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 11147 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 11148 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [0,2,0,0,0,0|1,0,1]=4 11149 B13R0.66 C=CCNC(=O)CCCCCCCO 240690a_100020586998_100011219782 [0,2,0,0,0,0|1,0,1]=4 11150 B13R0.66 C=CCNC(=O)CCNCCCCC 2230a_100000209983_100011222895 [0,2,0,0,0,0|1,0,1]=4 11151 B13R0.66 C=CCNC(=O)CCOCCCCC 7a_100000210253_100011222895 [0,2,0,0,0,0|1,0,1]=4 11152 B13R0.66 C=CCNC(=O)CCSCCCCC 62a_100000210326_100011222895 [0,2,0,0,0,0|1,0,1]=4 11153 B13R0.66 C=CCNC(=O)CCSCCCCC 62a_100011222895_100000210326 [0,2,0,0,0,0|1,0,1]=4 11154 B13R0.66 C=CCNC(=O)CNCCCCCC 2230a_100000210581_100000183597 [0,2,0,0,0,0|1,0,1]=4 11155 B13R0.66 C=CCNC(=O)COCCCCCC 7a_100000210259_100000183597 [0,2,0,0,0,0|1,0,1]=4 11156 B13R0.66 C=CCNC(=O)CSCCCCCC 62a_100000183597_100000210757 [0,2,0,0,0,0|1,0,1]=4 11157 B13R0.66 C=CCNC(=O)CSCCCCCC 62a_100000210314_100000183597 [0,2,0,0,0,0|1,0,1]=4 11158 B13R0.66 C=CCNC(=O)NCCCCCCC 2708a_100000229938_100020586998 [0,2,0,0,0,0|1,0,1]=4 11159 B13R0.66 C=CCNC(=O)NCCCCCCC 273464a_100000229938_100020586998 [0,2,0,0,0,0|1,0,1]=4 11160 B13R0.66 C=CCNC(=O)NCCCCCCC 273464a_100020586998_100000229938 [0,2,0,0,0,0|1,0,1]=4 11161 B13R0.66 C=CCNC(=O)NCCCCCCC 512a_100000229938_100020586998 [0,2,0,0,0,0|1,0,1]=4 11162 B13R0.66 C=CCNC(=O)NCCCCCCC 512a_100020586998_100000229938 [0,2,0,0,0,0|1,0,1]=4 11163 B13R0.66 C=CCOC(=O)CNCCCCCC 2230a_100000210581_100000033060 [0,2,0,0,0,0|0,0,1]=3 11164 B13R0.66 C=CCOC(=O)CNCCCCCO 2230a_100000762737_100000033060 [0,2,0,0,0,0|1,0,1]=4 11165 B13R0.66 C=CCOC(=O)CNCCCCCO 34a_100000762737_100000033060 [0,2,0,0,0,0|1,0,1]=4 11166 B13R0.66 C=CCOC(=O)CNCCCOCC 2230a_100000210961_100000033060 [0,2,0,0,0,0|1,0,1]=4 11167 B13R0.66 C=CCOC(=O)CNCCCOCC 34a_100000210961_100000033060 [0,2,0,0,0,0|1,0,1]=4 11168 B13R0.66 C=CCOC(=O)CNCCOCCC 2230a_100161115042_100000033060 [0,2,0,0,0,0|1,0,1]=4 11169 B13R0.66 C=CCOC(=O)CNCCOCCC 34a_100161115042_100000033060 [0,2,0,0,0,0|1,0,1]=4 11170 B13R0.66 C=CCOC(=O)CNCCSCCC 2230a_100020603323_100000033060 [0,2,0,0,0,0|1,0,1]=4 11171 B13R0.66 C=CCOC(=O)COCCCCCBr 34a_100000746331_100000033060 [0,2,0,0,0,0|1,0,1]=4 11172 B13R0.66 C=CCOC(=O)COCCCCCBr 7a_100000746331_100000033060 [0,2,0,0,0,0|1,0,1]=4 11173 B13R0.66 C=CCOC(=O)COCCCCCC 34a_100000210259_100000033060 [0,2,0,0,0,0|0,0,1]=3 11174 B13R0.66 C=CCOC(=O)COCCCCCC 7a_100000210259_100000033060 [0,2,0,0,0,0|0,0,1]=3 11175 B13R0.66 C=CCOC(=O)COCCCCCCl 34a_100000746330_100000033060 [0,2,0,0,0,0|1,0,1]=4 11176 B13R0.66 C=CCOC(=O)COCCCCCCl 7a_100000746330_100000033060 [0,2,0,0,0,0|1,0,1]=4 11177 B13R0.66 C=CCOC(=O)COCCCCCI 34a_200012148887_100000033060 [0,2,0,0,0,0|1,0,1]=4 11178 B13R0.66 C=CCOC(=O)COCCCCCI 7a_200012148887_100000033060 [0,2,0,0,0,0|1,0,1]=4 11179 B13R0.66 C=CCOC(=O)COCCCCCN 34a_100000762737_100000033060 [0,2,0,0,0,0|1,0,1]=4 11180 B13R0.66 C=CCOC(=O)COCCCCOC 34a_100000740925_100000033060 [0,2,0,0,0,0|1,0,1]=4 11181 B13R0.66 C=CCOC(=O)COCCCCSC 34a_100011217163_100000033060 [0,2,0,0,0,0|1,0,1]=4 11182 B13R0.66 C=CCOC(=O)COCCCCSC 7a_100011217163_100000033060 [0,2,0,0,0,0|1,0,1]=4 11183 B13R0.66 C=CCOC(=O)COCCCOCC 34a_100000757476_100000033060 [0,2,0,0,0,0|1,0,1]=4 11184 B13R0.66 C=CCOC(=O)COCCCOCC 7a_100000757476_100000033060 [0,2,0,0,0,0|1,0,1]=4 11185 B13R0.66 C=CCOC(=O)COCCCSCC 34a_100011216438_100000033060 [0,2,0,0,0,0|1,0,1]=4 11186 B13R0.66 C=CCOC(=O)COCCCSCC 7a_100011216438_100000033060 [0,2,0,0,0,0|1,0,1]=4 11187 B13R0.66 C=CCOC(=O)COCCOCCC 34a_100000752267_100000033060 [0,2,0,0,0,0|1,0,1]=4 11188 B13R0.66 C=CCOC(=O)COCCOCCC 7a_100000752267_100000033060 [0,2,0,0,0,0|1,0,1]=4 11189 B13R0.66 C=CCOC(=O)COCCSCCC 34a_200000230433_100000033060 [0,2,0,0,0,0|1,0,1]=4 11190 B13R0.66 C=CCOC(=O)COCCSCCC 7a_200000230433_100000033060 [0,2,0,0,0,0|1,0,1]=4 11191 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000033060_100000210757 [0,2,0,0,0,0|0,0,1]=3 11192 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000210314_100000033060 [0,2,0,0,0,0|0,0,1]=3 11193 B13R0.66 C=CCOC(=O)CSCCCCCF 62a_100000033060_100000729378 [0,2,0,0,0,0|1,0,1]=4 11194 B13R0.66 C=CCOC(=O)CSCCCCCF 62a_100000729378_100000033060 [0,2,0,0,0,0|1,0,1]=4 11195 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000033060_100000746330 [0,2,0,0,0,0|1,0,1]=4 11196 B13R0.66 C=CCOC(=O)CSCCCCCO 62a_100000746330_100000033060 [0,2,0,0,0,0|1,0,1]=4 11197 B13R0.66 C=CCOC(=O)CSCCCCOC 62a_100000033060_100000730899 [0,2,0,0,0,0|1,0,1]=4 11198 B13R0.66 C=CCOC(=O)CSCCCCOC 62a_100000730899_100000033060 [0,2,0,0,0,0|1,0,1]=4 11199 B13R0.66 C=CCOC(=O)CSCCCOCC 62a_100000033060_100012232248 [0,2,0,0,0,0|1,0,1]=4 11200 B13R0.66 C=CCOC(=O)CSCCCOCC 62a_100012232248_100000033060 [0,2,0,0,0,0|1,0,1]=4 11201 B13R0.66 C=CCOC(=O)CSCCOCCC 62a_100000033060_100011215938 [0,2,0,0,0,0|1,0,1]=4 11202 B13R0.66 C=CCOC(=O)CSCCOCCC 62a_100011215938_100000033060 [0,2,0,0,0,0|1,0,1]=4 11203 B13R0.66 C=CCOC(=O)CSCOCCCC 62a_100000033060_100011995733 [0,2,0,0,0,0|1,0,1]=4 11204 B13R0.66 C=CCOC(=O)CSCOCCCC 62a_100011995733_100000033060 [0,2,0,0,0,0|1,0,1]=4 11205 B13R0.66 CC#CCC(=O)CCCCCCCC 1458a_100000210188_100000748600 [0,2,0,0,0,0|1,0,1]=4 11206 B13R0.66 CC#CCC(=O)CCCCCCCO 1458a_100011219782_100000748600 [0,2,0,0,0,0|1,0,1]=4 11207 B13R0.66 CC/C=C\CCOCC(=O)OCCC 34a_100016288707_200011215008 [0,2,0,0,0,0|0,0,2]=4 11208 B13R0.66 CC/C=C\CCOCC(=O)OCCC 7a_100016288707_200011215008 [0,2,0,0,0,0|0,0,2]=4 11209 B13R0.66 CC/C=C\CCSCC(=O)OCCC 62a_100015370543_200011215008 [0,2,0,0,0,0|0,0,2]=4 11210 B13R0.66 CC/C=C\CCSCC(=O)OCCC 62a_200011215008_100015370543 [0,2,0,0,0,0|0,0,2]=4 11211 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [0,2,0,0,0,0|1,0,1]=4 11212 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [0,2,0,0,0,0|1,0,1]=4 11213 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100011219782_100000070051 [0,2,0,0,0,0|1,0,1]=4 11214 B13R0.66 CC=CCC(=O)CCCCCCCO 1458a_100121576822_100000760002 [0,2,0,0,0,0|1,0,1]=4 11215 B13R0.66 CC=CCC(=O)CCCCCCOC 1458a_100121576822_100011998445 [0,2,0,0,0,0|1,0,1]=4 11216 B13R0.66 CC=CCC(=O)NCCCCCCC 11a_100000229938_100121576822 [0,2,0,0,0,0|1,0,1]=4 11217 B13R0.66 CC=CCC(=O)NCCCCCCC 1626a_100000229938_100121576822 [0,2,0,0,0,0|1,0,1]=4 11218 B13R0.66 CC=CCC(=O)NCCCCCCC 240690a_100000229938_100121576822 [0,2,0,0,0,0|1,0,1]=4 11219 B13R0.66 CC=CCC(=O)NCCCCCCC 527a_100000229938_100121576822 [0,2,0,0,0,0|1,0,1]=4 11220 B13R0.66 CC=CCCCOCC(=O)OCCC 34a_100020645299_200011215008 [0,2,0,0,0,0|0,0,2]=4 11221 B13R0.66 CCC#CC(=O)CC#CCCCCC 1458a_100011827653_100009816472 [0,2,0,0,0,0|1,0,1]=4 11222 B13R0.66 CCC#CC(=O)CCCCCCC#N 1458a_100011827653_100009813337 [0,2,0,0,0,0|1,0,1]=4 11223 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [0,2,0,0,0,0|1,0,0]=3 11224 B13R0.66 CCC#CC(=O)CCCCCCCO 1458a_100011827653_100000760002 [0,2,0,0,0,0|1,0,0]=3 11225 B13R0.66 CCC#CC(=O)CCCCCCOC 1458a_100011827653_100011998445 [0,2,0,0,0,0|1,0,0]=3 11226 B13R0.66 CCC#CC(=O)CCCOCCOC 1458a_100011827653_100011216529 [0,2,0,0,0,0|2,0,0]=4 11227 B13R0.66 CCC#CC(=O)CCOCCOCC 1458a_100011827653_100011211534 [0,2,0,0,0,0|2,0,0]=4 11228 B13R0.66 CCC#CCCOCC(=O)OCCC 34a_100000036655_200011215008 [0,2,0,0,0,0|0,0,2]=4 11229 B13R0.66 CCC#CCCOCC(=O)OCCC 7a_100000036655_200011215008 [0,2,0,0,0,0|0,0,2]=4 11230 B13R0.66 CCC/C=C/COCC(=O)OCCC 34a_100016278788_200011215008 [0,2,0,0,0,0|0,0,2]=4 11231 B13R0.66 CCC/C=C/COCC(=O)OCCC 7a_100016278788_200011215008 [0,2,0,0,0,0|0,0,2]=4 11232 B13R0.66 CCC=CC(=O)CC#CCCCCC 1458a_100000212282_100009816472 [0,2,0,0,0,0|1,0,1]=4 11233 B13R0.66 CCC=CC(=O)CCCCCCC#N 1458a_100000212282_100009813337 [0,2,0,0,0,0|1,0,1]=4 11234 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [0,2,0,0,0,0|1,0,0]=3 11235 B13R0.66 CCC=CC(=O)CCCCCCCO 1458a_100000212282_100000760002 [0,2,0,0,0,0|1,0,0]=3 11236 B13R0.66 CCC=CC(=O)CCCCCCOC 1458a_100000212282_100011998445 [0,2,0,0,0,0|1,0,0]=3 11237 B13R0.66 CCC=CC(=O)CCCOCCOC 1458a_100000212282_100011216529 [0,2,0,0,0,0|2,0,0]=4 11238 B13R0.66 CCC=CC(=O)CCOCCOCC 1458a_100000212282_100011211534 [0,2,0,0,0,0|2,0,0]=4 11239 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [0,2,0,0,0,0|1,0,0]=3 11240 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [0,2,0,0,0,0|1,0,0]=3 11241 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [0,2,0,0,0,0|1,0,0]=3 11242 B13R0.66 CCC=CC(=O)NCCCCCCO 240690a_100000686447_100000212282 [0,2,0,0,0,0|2,0,0]=4 11243 B13R0.66 CCC=CC(=O)NCCCCCOC 11a_100000747528_100000212282 [0,2,0,0,0,0|2,0,0]=4 11244 B13R0.66 CCC=CC(=O)NCCCCCOC 1626a_100000747528_100000212282 [0,2,0,0,0,0|2,0,0]=4 11245 B13R0.66 CCC=CC(=O)NCCCCCOC 240690a_100000747528_100000212282 [0,2,0,0,0,0|2,0,0]=4 11246 B13R0.66 CCC=CC(=O)NCCCOCCC 1626a_100011217757_100000212282 [0,2,0,0,0,0|2,0,0]=4 11247 B13R0.66 CCC=CC(=O)NCCCOCCC 240690a_100011217757_100000212282 [0,2,0,0,0,0|2,0,0]=4 11248 B13R0.66 CCC=CC(=O)NCCSCCCC 11a_100025743550_100000212282 [0,2,0,0,0,0|2,0,0]=4 11249 B13R0.66 CCC=CC(=O)NCCSCCCC 1626a_100025743550_100000212282 [0,2,0,0,0,0|2,0,0]=4 11250 B13R0.66 CCC=CC(=O)NCCSCCCC 240690a_100025743550_100000212282 [0,2,0,0,0,0|2,0,0]=4 11251 B13R0.66 CCCC#CCOCC(=O)OCCC 34a_100000034806_200011215008 [0,2,0,0,0,0|0,0,2]=4 11252 B13R0.66 CCCC#CCOCC(=O)OCCC 7a_100000034806_200011215008 [0,2,0,0,0,0|0,0,2]=4 11253 B13R0.66 CCCCC(=O)CCCCCCC#N 1458a_100000210183_100009813337 [0,2,0,0,0,0|1,0,1]=4 11254 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [0,2,0,0,0,0|1,0,0]=3 11255 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [0,2,0,0,0,0|1,0,0]=3 11256 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [0,2,0,0,0,0|1,0,0]=3 11257 B13R0.66 CCCCC(=O)CCCOCCOC 1458a_100000210183_100011216529 [0,2,0,0,0,0|2,0,0]=4 11258 B13R0.66 CCCCC(=O)CCOCCOCC 1458a_100000210183_100011211534 [0,2,0,0,0,0|2,0,0]=4 11259 B13R0.66 CCCCC(=O)NCCCCCCO 240690a_100000686447_100000210183 [0,2,0,0,0,0|2,0,0]=4 11260 B13R0.66 CCCCC(=O)NCCCCCCO 527a_100000686447_100000210183 [0,2,0,0,0,0|2,0,0]=4 11261 B13R0.66 CCCCC(=O)NCCCCCOC 11a_100000747528_100000210183 [0,2,0,0,0,0|2,0,0]=4 11262 B13R0.66 CCCCC(=O)NCCCCCOC 1626a_100000747528_100000210183 [0,2,0,0,0,0|2,0,0]=4 11263 B13R0.66 CCCCC(=O)NCCCCCOC 240690a_100000747528_100000210183 [0,2,0,0,0,0|2,0,0]=4 11264 B13R0.66 CCCCC(=O)NCCCCCOC 527a_100000747528_100000210183 [0,2,0,0,0,0|2,0,0]=4 11265 B13R0.66 CCCCC(=O)NCCCOCCC 1626a_100011217757_100000210183 [0,2,0,0,0,0|2,0,0]=4 11266 B13R0.66 CCCCC(=O)NCCCOCCC 240690a_100011217757_100000210183 [0,2,0,0,0,0|2,0,0]=4 11267 B13R0.66 CCCCC(=O)NCCCOCCC 527a_100011217757_100000210183 [0,2,0,0,0,0|2,0,0]=4 11268 B13R0.66 CCCCC/C=C/CC(=O)CCCC 1458a_100020675968_100000210211 [0,2,0,0,0,0|1,0,1]=4 11269 B13R0.66 CCCCC/C=C/CC(=O)CCCF 1458a_100020675968_100011934791 [0,2,0,0,0,0|1,0,1]=4 11270 B13R0.66 CCCCC/C=C/CC(=O)CCCO 1458a_100020675968_100011215043 [0,2,0,0,0,0|1,0,1]=4 11271 B13R0.66 CCCCC/C=C/CC(=O)CCOC 1458a_100020675968_100000233755 [0,2,0,0,0,0|1,0,1]=4 11272 B13R0.66 CCCCC/C=C/CC(=O)CCSC 1458a_100020675968_100000751147 [0,2,0,0,0,0|1,0,1]=4 11273 B13R0.66 CCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020675968 [0,2,0,0,0,0|1,0,1]=4 11274 B13R0.66 CCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020675968 [0,2,0,0,0,0|1,0,1]=4 11275 B13R0.66 CCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020675968 [0,2,0,0,0,0|1,0,1]=4 11276 B13R0.66 CCCCC/C=C/CC(=O)NCCF 11a_100000724931_100020675968 [0,2,0,0,0,0|1,0,1]=4 11277 B13R0.66 CCCCC/C=C/CC(=O)NCCF 1626a_100000724931_100020675968 [0,2,0,0,0,0|1,0,1]=4 11278 B13R0.66 CCCCC/C=C/CC(=O)NCCF 240690a_100000724931_100020675968 [0,2,0,0,0,0|1,0,1]=4 11279 B13R0.66 CCCCC/C=C/CC(=O)NCCO 240690a_100000210304_100020675968 [0,2,0,0,0,0|1,0,1]=4 11280 B13R0.66 CCCCC/C=C/CC(=O)NNCC 22a_100000756455_100020675968 [0,2,0,0,0,0|1,0,1]=4 11281 B13R0.66 CCCCCC#CCC(=O)CCCC 1458a_100000210183_100009816472 [0,2,0,0,0,0|1,0,1]=4 11282 B13R0.66 CCCCCC#CCC(=O)CCOC 1458a_100000749529_100009816472 [0,2,0,0,0,0|1,0,1]=4 11283 B13R0.66 CCCCCC#CCC(=O)CCSC 1458a_100000174002_100009816472 [0,2,0,0,0,0|1,0,1]=4 11284 B13R0.66 CCCCCC#CCC(=O)COCC 1458a_100000211967_100009816472 [0,2,0,0,0,0|0,0,1]=3 11285 B13R0.66 CCCCCC#CCC(=O)CSCC 1458a_100000230394_100009816472 [0,2,0,0,0,0|0,1,1]=4 11286 B13R0.66 CCCCCC=NNC(=O)COCC 4a_100000216846_100000737632 [0,2,0,0,0,0|1,0,1]=4 11287 B13R0.66 CCCCCCC=CC(=O)CCCC 1458a_200015324643_100000210211 [0,2,0,0,0,0|1,0,1]=4 11288 B13R0.66 CCCCCCC=CC(=O)CCCF 1458a_200015324643_100011934791 [0,2,0,0,0,0|1,0,1]=4 11289 B13R0.66 CCCCCCC=CC(=O)CCCO 1458a_200015324643_100011215043 [0,2,0,0,0,0|1,0,1]=4 11290 B13R0.66 CCCCCCC=CC(=O)CCOC 1458a_200015324643_100000233755 [0,2,0,0,0,0|1,0,1]=4 11291 B13R0.66 CCCCCCC=CC(=O)CCSC 1458a_200015324643_100000751147 [0,2,0,0,0,0|1,0,1]=4 11292 B13R0.66 CCCCCCC=CC(=O)NCCC 11a_100020643023_200015324643 [0,2,0,0,0,0|1,0,1]=4 11293 B13R0.66 CCCCCCC=CC(=O)NCCC 1626a_100020643023_200015324643 [0,2,0,0,0,0|1,0,1]=4 11294 B13R0.66 CCCCCCC=CC(=O)NCCC 240690a_100020643023_200015324643 [0,2,0,0,0,0|1,0,1]=4 11295 B13R0.66 CCCCCCC=CC(=O)NCCF 11a_100000724931_200015324643 [0,2,0,0,0,0|1,0,1]=4 11296 B13R0.66 CCCCCCC=CC(=O)NCCF 1626a_100000724931_200015324643 [0,2,0,0,0,0|1,0,1]=4 11297 B13R0.66 CCCCCCC=CC(=O)NCCF 240690a_100000724931_200015324643 [0,2,0,0,0,0|1,0,1]=4 11298 B13R0.66 CCCCCCC=CC(=O)NCCO 240690a_100000210304_200015324643 [0,2,0,0,0,0|1,0,1]=4 11299 B13R0.66 CCCCCCC=CC(=O)NNCC 22a_100000756455_200015324643 [0,2,0,0,0,0|1,0,1]=4 11300 B13R0.66 CCCCCCCCC(=NNCC)C 4a_100000756455_100011216694 [0,2,0,0,0,0|2,0,0]=4 11301 B13R0.66 CCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210759 [0,2,0,0,0,0|1,0,1]=4 11302 B13R0.66 CCCCCCCCC(=O)C=COC 1458a_100016268678_100000210759 [0,2,0,0,0,0|1,0,1]=4 11303 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [0,2,0,0,0,0|1,0,1]=4 11304 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [0,2,0,0,0,0|1,0,1]=4 11305 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [0,2,0,0,0,0|1,0,0]=3 11306 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [0,2,0,0,0,0|1,0,0]=3 11307 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [0,2,0,0,0,0|1,0,0]=3 11308 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [0,2,0,0,0,0|1,0,0]=3 11309 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [0,2,0,0,0,0|1,0,0]=3 11310 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [0,2,0,0,0,0|1,0,0]=3 11311 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [0,2,0,0,0,0|1,0,0]=3 11312 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [0,2,0,0,0,0|1,0,0]=3 11313 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [0,2,0,0,0,0|0,0,0]=2 11314 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [0,2,0,0,0,0|0,1,0]=3 11315 B13R0.66 CCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210188 [0,2,0,0,0,0|1,0,1]=4 11316 B13R0.66 CCCCCCCCC(=O)NCC#N 527a_100000734998_100000210188 [0,2,0,0,0,0|1,0,1]=4 11317 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [0,2,0,0,0,0|1,0,0]=3 11318 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [0,2,0,0,0,0|1,0,0]=3 11319 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [0,2,0,0,0,0|1,0,0]=3 11320 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [0,2,0,0,0,0|1,0,0]=3 11321 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [0,2,0,0,0,0|1,0,0]=3 11322 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [0,2,0,0,0,0|1,0,0]=3 11323 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [0,2,0,0,0,0|1,0,0]=3 11324 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [0,2,0,0,0,0|1,0,0]=3 11325 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [0,2,0,0,0,0|1,0,0]=3 11326 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [0,2,0,0,0,0|1,0,0]=3 11327 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [0,2,0,0,0,0|1,0,0]=3 11328 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [0,2,0,0,0,0|1,0,1]=4 11329 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [0,2,0,0,0,0|1,0,1]=4 11330 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [0,2,0,0,0,0|1,0,1]=4 11331 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [0,2,0,0,0,0|1,0,1]=4 11332 B13R0.66 CCCCCCCCC(C)OCCF 34a_100000210740_100011217306 [0,2,0,0,0,0|1,0,1]=4 11333 B13R0.66 CCCCCCCCC(C)OCCF 7a_100000210740_100011217306 [0,2,0,0,0,0|1,0,1]=4 11334 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [0,2,0,0,0,0|1,0,1]=4 11335 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [0,2,0,0,0,0|1,0,1]=4 11336 B13R0.66 CCCCCCCCC(C)OCSC 34a_100000210740_100011218213 [0,2,0,0,0,0|1,0,1]=4 11337 B13R0.66 CCCCCCCCN(C)COCC 269982a_100000207567_100000739092 [0,2,0,0,0,0|2,0,0]=4 11338 B13R0.66 CCCCCCCNC(=O)C=COC 1626a_100000229938_100016268678 [0,2,0,0,0,0|1,0,1]=4 11339 B13R0.66 CCCCCCCNC(=O)C=COC 240690a_100000229938_100016268678 [0,2,0,0,0,0|1,0,1]=4 11340 B13R0.66 CCCCCCCNC(=O)CCC#N 11a_100000229938_100011934036 [0,2,0,0,0,0|1,0,1]=4 11341 B13R0.66 CCCCCCCNC(=O)CCC#N 1626a_100000229938_100011934036 [0,2,0,0,0,0|1,0,1]=4 11342 B13R0.66 CCCCCCCNC(=O)CCC#N 240690a_100000229938_100011934036 [0,2,0,0,0,0|1,0,1]=4 11343 B13R0.66 CCCCCCCNC(=O)CCC#N 527a_100000229938_100011934036 [0,2,0,0,0,0|1,0,1]=4 11344 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [0,2,0,0,0,0|1,0,0]=3 11345 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [0,2,0,0,0,0|1,0,0]=3 11346 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [0,2,0,0,0,0|1,0,0]=3 11347 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [0,2,0,0,0,0|1,0,0]=3 11348 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [0,2,0,0,0,0|1,0,0]=3 11349 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [0,2,0,0,0,0|1,0,0]=3 11350 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [0,2,0,0,0,0|1,0,0]=3 11351 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [0,2,0,0,0,0|1,0,0]=3 11352 B13R0.66 CCCCCCCNC(=O)CCSC 11a_100000229938_100000174002 [0,2,0,0,0,0|1,0,0]=3 11353 B13R0.66 CCCCCCCNC(=O)CCSC 1626a_100000229938_100000174002 [0,2,0,0,0,0|1,0,0]=3 11354 B13R0.66 CCCCCCCNC(=O)CCSC 240690a_100000229938_100000174002 [0,2,0,0,0,0|1,0,0]=3 11355 B13R0.66 CCCCCCCNC(=O)CCSC 527a_100000229938_100000174002 [0,2,0,0,0,0|1,0,0]=3 11356 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [0,2,0,0,0,0|0,0,0]=2 11357 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [0,2,0,0,0,0|0,0,0]=2 11358 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [0,2,0,0,0,0|0,0,0]=2 11359 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [0,2,0,0,0,0|0,0,0]=2 11360 B13R0.66 CCCCCCCNC(=O)CSCC 11a_100000229938_100000230394 [0,2,0,0,0,0|0,1,0]=3 11361 B13R0.66 CCCCCCCNC(=O)CSCC 1626a_100000229938_100000230394 [0,2,0,0,0,0|0,1,0]=3 11362 B13R0.66 CCCCCCCNC(=O)CSCC 240690a_100000229938_100000230394 [0,2,0,0,0,0|0,1,0]=3 11363 B13R0.66 CCCCCCCNC(=O)CSCC 527a_100000229938_100000230394 [0,2,0,0,0,0|0,1,0]=3 11364 B13R0.66 CCCCCCCNC(=O)NCC#N 2708a_100000734998_100000229938 [0,2,0,0,0,0|1,0,1]=4 11365 B13R0.66 CCCCCCCNC(=O)NCC#N 273464a_100000229938_100000734998 [0,2,0,0,0,0|1,0,1]=4 11366 B13R0.66 CCCCCCCNC(=O)NCC#N 273464a_100000734998_100000229938 [0,2,0,0,0,0|1,0,1]=4 11367 B13R0.66 CCCCCCCNC(=O)NCC#N 512a_100000229938_100000734998 [0,2,0,0,0,0|1,0,1]=4 11368 B13R0.66 CCCCCCCNC(=O)NCC#N 512a_100000734998_100000229938 [0,2,0,0,0,0|1,0,1]=4 11369 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100000229938_100020643023 [0,2,0,0,0,0|1,0,0]=3 11370 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100020643023_100000229938 [0,2,0,0,0,0|1,0,0]=3 11371 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100000229938_100020643023 [0,2,0,0,0,0|1,0,0]=3 11372 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100020643023_100000229938 [0,2,0,0,0,0|1,0,0]=3 11373 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100000229938_100020643023 [0,2,0,0,0,0|1,0,0]=3 11374 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100020643023_100000229938 [0,2,0,0,0,0|1,0,0]=3 11375 B13R0.66 CCCCCCCNC(=O)NCCF 2708a_100000229938_100000724931 [0,2,0,0,0,0|1,0,0]=3 11376 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000229938_100000724931 [0,2,0,0,0,0|1,0,0]=3 11377 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000724931_100000229938 [0,2,0,0,0,0|1,0,0]=3 11378 B13R0.66 CCCCCCCNC(=O)NCCF 512a_100000229938_100000724931 [0,2,0,0,0,0|1,0,0]=3 11379 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [0,2,0,0,0,0|1,0,0]=3 11380 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [0,2,0,0,0,0|1,0,0]=3 11381 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [0,2,0,0,0,0|1,0,0]=3 11382 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [0,2,0,0,0,0|1,0,0]=3 11383 B13R0.66 CCCCCCCNC(=O)NNCC 273464a_100000229938_100000756455 [0,2,0,0,0,0|1,0,0]=3 11384 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000229938_100000756455 [0,2,0,0,0,0|1,0,0]=3 11385 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000756455_100000229938 [0,2,0,0,0,0|1,0,0]=3 11386 B13R0.66 CCCCCCCOC(C)COCC 34a_100000718985_100000210614 [0,2,0,0,0,0|1,0,1]=4 11387 B13R0.66 CCCCCCCOC(C)COCC 7a_100000718985_100000210614 [0,2,0,0,0,0|1,0,1]=4 11388 B13R0.66 CCCCCCNCC(=O)NCC#N 2230a_100000210581_100000736037 [0,2,0,0,0,0|1,0,1]=4 11389 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000174927_100000210314 [0,2,0,0,0,0|1,0,0]=3 11390 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000210581_100000183358 [0,2,0,0,0,0|1,0,0]=3 11391 B13R0.66 CCCCCCNCC(=O)NCCF 2230a_100000725713_100000210314 [0,2,0,0,0,0|1,0,0]=3 11392 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [0,2,0,0,0,0|0,0,0]=2 11393 B13R0.66 CCCCCCNCC(C)OCCC 2230a_100015185124_100000210314 [0,2,0,0,0,0|1,0,1]=4 11394 B13R0.66 CCCCCCNCC(C)OCCC 34a_100015185124_100000210314 [0,2,0,0,0,0|1,0,1]=4 11395 B13R0.66 CCCCCCNCC(O)COCC 2230a_102515437182_100000210314 [0,2,0,0,0,0|0,0,2]=4 11396 B13R0.66 CCCCCCNCC(O)COCC 34a_102515437182_100000210314 [0,2,0,0,0,0|0,0,2]=4 11397 B13R0.66 CCCCCCOCC(=O)NCC#N 7a_100000210259_100000736037 [0,2,0,0,0,0|1,0,1]=4 11398 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [0,2,0,0,0,0|1,0,0]=3 11399 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [0,2,0,0,0,0|1,0,0]=3 11400 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [0,2,0,0,0,0|0,0,0]=2 11401 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [0,2,0,0,0,0|0,0,0]=2 11402 B13R0.66 CCCCCCOC[C@@H](C)OCOC 34a_100016172286_100000210314 [0,2,0,0,0,0|1,0,1]=4 11403 B13R0.66 CCCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210314 [0,2,0,0,0,0|1,0,1]=4 11404 B13R0.66 CCCCCCSCC(=O)NCC#N 62a_100000210314_100000736037 [0,2,0,0,0,0|1,0,1]=4 11405 B13R0.66 CCCCCCSCC(=O)NCC#N 62a_100000736037_100000210757 [0,2,0,0,0,0|1,0,1]=4 11406 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000183358_100000210757 [0,2,0,0,0,0|1,0,0]=3 11407 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000210314_100000183358 [0,2,0,0,0,0|1,0,0]=3 11408 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [0,2,0,0,0,0|0,0,0]=2 11409 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [0,2,0,0,0,0|0,0,0]=2 11410 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [0,2,0,0,0,0|1,0,0]=3 11411 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [0,2,0,0,0,0|1,0,0]=3 11412 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [0,2,0,0,0,0|1,0,0]=3 11413 B13R0.66 CCCCNCCCC(=O)NCCC 2230a_100000102301_100011194427 [0,2,0,0,0,0|1,0,0]=3 11414 B13R0.66 CCCCNCCCC(=O)NCCC 7a_106832991798_100011194427 [0,2,0,0,0,0|1,0,0]=3 11415 B13R0.66 CCCCOCCCC(=O)NCCC 7a_100000210227_100011194427 [0,2,0,0,0,0|1,0,0]=3 11416 B13R0.66 CCCCOCNCC(=O)NCCC 2230a_100000174927_100011995733 [0,2,0,0,0,0|2,0,0]=4 11417 B13R0.66 CCCCOCNCC(=O)NCCF 2230a_100000725713_100011995733 [0,2,0,0,0,0|2,0,0]=4 11418 B13R0.66 CCCCOCSCC(=O)NCCC 62a_100000183358_100011995733 [0,2,0,0,0,0|2,0,0]=4 11419 B13R0.66 CCCCOCSCC(=O)NCCC 62a_100011995733_100000183358 [0,2,0,0,0,0|2,0,0]=4 11420 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [0,2,0,0,0,0|1,0,0]=3 11421 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [0,2,0,0,0,0|1,0,0]=3 11422 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100000210211_100011194427 [0,2,0,0,0,0|1,0,0]=3 11423 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100011194427_100000210210 [0,2,0,0,0,0|1,0,0]=3 11424 B13R0.66 CCCCSCCNC(=O)CCCC 11a_100025743550_100000210183 [0,2,0,0,0,0|2,0,0]=4 11425 B13R0.66 CCCCSCCNC(=O)CCCC 1626a_100025743550_100000210183 [0,2,0,0,0,0|2,0,0]=4 11426 B13R0.66 CCCCSCCNC(=O)CCCC 240690a_100025743550_100000210183 [0,2,0,0,0,0|2,0,0]=4 11427 B13R0.66 CCCCSCCNC(=O)CCCC 527a_100025743550_100000210183 [0,2,0,0,0,0|2,0,0]=4 11428 B13R0.66 CCCCSCCNC(=O)CCOC 11a_100025743550_100000749529 [0,2,0,0,0,0|2,0,0]=4 11429 B13R0.66 CCCCSCCNC(=O)CCOC 1626a_100025743550_100000749529 [0,2,0,0,0,0|2,0,0]=4 11430 B13R0.66 CCCCSCCNC(=O)CCOC 240690a_100025743550_100000749529 [0,2,0,0,0,0|2,0,0]=4 11431 B13R0.66 CCCCSCCNC(=O)CCOC 527a_100025743550_100000749529 [0,2,0,0,0,0|2,0,0]=4 11432 B13R0.66 CCCCSCCNC(=O)CCSC 11a_100025743550_100000174002 [0,2,0,0,0,0|2,0,0]=4 11433 B13R0.66 CCCCSCCNC(=O)CCSC 1626a_100025743550_100000174002 [0,2,0,0,0,0|2,0,0]=4 11434 B13R0.66 CCCCSCCNC(=O)CCSC 240690a_100025743550_100000174002 [0,2,0,0,0,0|2,0,0]=4 11435 B13R0.66 CCCCSCCNC(=O)CCSC 527a_100025743550_100000174002 [0,2,0,0,0,0|2,0,0]=4 11436 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [0,2,0,0,0,0|1,0,0]=3 11437 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [0,2,0,0,0,0|1,0,0]=3 11438 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [0,2,0,0,0,0|1,0,0]=3 11439 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [0,2,0,0,0,0|1,0,0]=3 11440 B13R0.66 CCCCSCCNC(=O)CSCC 11a_100025743550_100000230394 [0,2,0,0,0,0|1,1,0]=4 11441 B13R0.66 CCCCSCCNC(=O)CSCC 1626a_100025743550_100000230394 [0,2,0,0,0,0|1,1,0]=4 11442 B13R0.66 CCCCSCCNC(=O)CSCC 240690a_100025743550_100000230394 [0,2,0,0,0,0|1,1,0]=4 11443 B13R0.66 CCCCSCCNC(=O)CSCC 527a_100025743550_100000230394 [0,2,0,0,0,0|1,1,0]=4 11444 B13R0.66 CCCCSCCNC(=O)NCCC 2708a_100020643023_100025743550 [0,2,0,0,0,0|2,0,0]=4 11445 B13R0.66 CCCCSCCNC(=O)NCCC 2708a_100025743550_100020643023 [0,2,0,0,0,0|2,0,0]=4 11446 B13R0.66 CCCCSCCNC(=O)NCCC 273464a_100020643023_100025743550 [0,2,0,0,0,0|2,0,0]=4 11447 B13R0.66 CCCCSCCNC(=O)NCCC 273464a_100025743550_100020643023 [0,2,0,0,0,0|2,0,0]=4 11448 B13R0.66 CCCCSCCNC(=O)NCCC 512a_100020643023_100025743550 [0,2,0,0,0,0|2,0,0]=4 11449 B13R0.66 CCCCSCCNC(=O)NCCC 512a_100025743550_100020643023 [0,2,0,0,0,0|2,0,0]=4 11450 B13R0.66 CCCCSCCNC(=O)NCCF 2708a_100025743550_100000724931 [0,2,0,0,0,0|2,0,0]=4 11451 B13R0.66 CCCCSCCNC(=O)NCCF 273464a_100000724931_100025743550 [0,2,0,0,0,0|2,0,0]=4 11452 B13R0.66 CCCCSCCNC(=O)NCCF 273464a_100025743550_100000724931 [0,2,0,0,0,0|2,0,0]=4 11453 B13R0.66 CCCCSCCNC(=O)NCCF 512a_100025743550_100000724931 [0,2,0,0,0,0|2,0,0]=4 11454 B13R0.66 CCCCSCCNC(=O)NCCO 2708a_100025743550_100000210304 [0,2,0,0,0,0|2,0,0]=4 11455 B13R0.66 CCCCSCCNC(=O)NCCO 273464a_100000210304_100025743550 [0,2,0,0,0,0|2,0,0]=4 11456 B13R0.66 CCCCSCCNC(=O)NCCO 273464a_100025743550_100000210304 [0,2,0,0,0,0|2,0,0]=4 11457 B13R0.66 CCCCSCCNC(=O)NCCO 512a_100025743550_100000210304 [0,2,0,0,0,0|2,0,0]=4 11458 B13R0.66 CCCCSCCNC(=O)NNCC 273464a_100025743550_100000756455 [0,2,0,0,0,0|2,0,0]=4 11459 B13R0.66 CCCCSCCNC(=O)NNCC 512a_100000756455_100025743550 [0,2,0,0,0,0|2,0,0]=4 11460 B13R0.66 CCCCSCCNC(=O)NNCC 512a_100025743550_100000756455 [0,2,0,0,0,0|2,0,0]=4 11461 B13R0.66 CCCNC(=O)CCCCCCCO 240690a_100020643023_100011219782 [0,2,0,0,0,0|1,0,0]=3 11462 B13R0.66 CCCNC(=O)CCCNCCCF 2230a_100015189416_100011194427 [0,2,0,0,0,0|2,0,0]=4 11463 B13R0.66 CCCNC(=O)CCCNCCOC 2230a_100000209980_100011194427 [0,2,0,0,0,0|2,0,0]=4 11464 B13R0.66 CCCNC(=O)CCCNCCSC 2230a_100020590264_100011194427 [0,2,0,0,0,0|2,0,0]=4 11465 B13R0.66 CCCNC(=O)CCCOCCSC 7a_100000230434_100011194427 [0,2,0,0,0,0|2,0,0]=4 11466 B13R0.66 CCCNC(=O)CCCSCCCF 62a_100011194427_100011934791 [0,2,0,0,0,0|2,0,0]=4 11467 B13R0.66 CCCNC(=O)CCCSCCCF 62a_100011934791_100011194427 [0,2,0,0,0,0|2,0,0]=4 11468 B13R0.66 CCCNC(=O)CCCSCCCO 62a_100011194427_100011215043 [0,2,0,0,0,0|2,0,0]=4 11469 B13R0.66 CCCNC(=O)CCCSCCCO 62a_100011215043_100011194427 [0,2,0,0,0,0|2,0,0]=4 11470 B13R0.66 CCCNC(=O)CCCSCCOC 62a_100000233755_100011194427 [0,2,0,0,0,0|2,0,0]=4 11471 B13R0.66 CCCNC(=O)CCCSCCOC 62a_100011194427_100000233755 [0,2,0,0,0,0|2,0,0]=4 11472 B13R0.66 CCCNC(=O)CCCSCCSC 62a_100000212216_100011194427 [0,2,0,0,0,0|2,0,0]=4 11473 B13R0.66 CCCNC(=O)CCCSCCSC 62a_100011194427_100000751147 [0,2,0,0,0,0|2,0,0]=4 11474 B13R0.66 CCCNC(=O)CCCSCOCC 62a_100000739092_100011194427 [0,2,0,0,0,0|2,0,0]=4 11475 B13R0.66 CCCNC(=O)CCCSCOCC 62a_100011194427_100000739092 [0,2,0,0,0,0|2,0,0]=4 11476 B13R0.66 CCCNC(=O)CNCCCCCF 2230a_100000174927_100000729378 [0,2,0,0,0,0|2,0,0]=4 11477 B13R0.66 CCCNC(=O)CNCCCCCO 2230a_100000174927_100000746330 [0,2,0,0,0,0|2,0,0]=4 11478 B13R0.66 CCCNC(=O)CNCCCCCO 2230a_100000762737_100000183358 [0,2,0,0,0,0|2,0,0]=4 11479 B13R0.66 CCCNC(=O)CNCCCCCO 34a_100000762737_100000183358 [0,2,0,0,0,0|2,0,0]=4 11480 B13R0.66 CCCNC(=O)CNCCCCOC 2230a_100000174927_100000730899 [0,2,0,0,0,0|2,0,0]=4 11481 B13R0.66 CCCNC(=O)CNCCCOCC 2230a_100000174927_100012232248 [0,2,0,0,0,0|2,0,0]=4 11482 B13R0.66 CCCNC(=O)CNCCCOCC 2230a_100000210961_100000183358 [0,2,0,0,0,0|2,0,0]=4 11483 B13R0.66 CCCNC(=O)CNCCCOCC 34a_100000210961_100000183358 [0,2,0,0,0,0|2,0,0]=4 11484 B13R0.66 CCCNC(=O)CNCCOCCC 2230a_100000174927_100011215938 [0,2,0,0,0,0|2,0,0]=4 11485 B13R0.66 CCCNC(=O)CNCCOCCC 2230a_100161115042_100000183358 [0,2,0,0,0,0|2,0,0]=4 11486 B13R0.66 CCCNC(=O)CNCCOCCC 34a_100161115042_100000183358 [0,2,0,0,0,0|2,0,0]=4 11487 B13R0.66 CCCNC(=O)CNCCSCCC 2230a_100020603323_100000183358 [0,2,0,0,0,0|2,0,0]=4 11488 B13R0.66 CCCNC(=O)COCCCCCBr 34a_100000746331_100000183358 [0,2,0,0,0,0|2,0,0]=4 11489 B13R0.66 CCCNC(=O)COCCCCCBr 7a_100000746331_100000183358 [0,2,0,0,0,0|2,0,0]=4 11490 B13R0.66 CCCNC(=O)COCCCCCCl 34a_100000746330_100000183358 [0,2,0,0,0,0|2,0,0]=4 11491 B13R0.66 CCCNC(=O)COCCCCCCl 7a_100000746330_100000183358 [0,2,0,0,0,0|2,0,0]=4 11492 B13R0.66 CCCNC(=O)COCCCCCI 34a_200012148887_100000183358 [0,2,0,0,0,0|2,0,0]=4 11493 B13R0.66 CCCNC(=O)COCCCCCI 7a_200012148887_100000183358 [0,2,0,0,0,0|2,0,0]=4 11494 B13R0.66 CCCNC(=O)COCCCCCN 34a_100000762737_100000183358 [0,2,0,0,0,0|2,0,0]=4 11495 B13R0.66 CCCNC(=O)COCCCCOC 34a_100000740925_100000183358 [0,2,0,0,0,0|2,0,0]=4 11496 B13R0.66 CCCNC(=O)COCCCCSC 34a_100011217163_100000183358 [0,2,0,0,0,0|2,0,0]=4 11497 B13R0.66 CCCNC(=O)COCCCCSC 7a_100011217163_100000183358 [0,2,0,0,0,0|2,0,0]=4 11498 B13R0.66 CCCNC(=O)COCCCOCC 34a_100000757476_100000183358 [0,2,0,0,0,0|2,0,0]=4 11499 B13R0.66 CCCNC(=O)COCCCOCC 7a_100000757476_100000183358 [0,2,0,0,0,0|2,0,0]=4 11500 B13R0.66 CCCNC(=O)COCCCSCC 34a_100011216438_100000183358 [0,2,0,0,0,0|2,0,0]=4 11501 B13R0.66 CCCNC(=O)COCCCSCC 7a_100011216438_100000183358 [0,2,0,0,0,0|2,0,0]=4 11502 B13R0.66 CCCNC(=O)COCCOCCC 34a_100000752267_100000183358 [0,2,0,0,0,0|2,0,0]=4 11503 B13R0.66 CCCNC(=O)COCCOCCC 7a_100000752267_100000183358 [0,2,0,0,0,0|2,0,0]=4 11504 B13R0.66 CCCNC(=O)COCCSCCC 34a_200000230433_100000183358 [0,2,0,0,0,0|2,0,0]=4 11505 B13R0.66 CCCNC(=O)COCCSCCC 7a_200000230433_100000183358 [0,2,0,0,0,0|2,0,0]=4 11506 B13R0.66 CCCNC(=O)CSCCCCCF 62a_100000183358_100000729378 [0,2,0,0,0,0|2,0,0]=4 11507 B13R0.66 CCCNC(=O)CSCCCCCF 62a_100000729378_100000183358 [0,2,0,0,0,0|2,0,0]=4 11508 B13R0.66 CCCNC(=O)CSCCCCCO 62a_100000183358_100000746330 [0,2,0,0,0,0|2,0,0]=4 11509 B13R0.66 CCCNC(=O)CSCCCCCO 62a_100000746330_100000183358 [0,2,0,0,0,0|2,0,0]=4 11510 B13R0.66 CCCNC(=O)CSCCCCOC 62a_100000183358_100000730899 [0,2,0,0,0,0|2,0,0]=4 11511 B13R0.66 CCCNC(=O)CSCCCCOC 62a_100000730899_100000183358 [0,2,0,0,0,0|2,0,0]=4 11512 B13R0.66 CCCNC(=O)CSCCCOCC 62a_100000183358_100012232248 [0,2,0,0,0,0|2,0,0]=4 11513 B13R0.66 CCCNC(=O)CSCCCOCC 62a_100012232248_100000183358 [0,2,0,0,0,0|2,0,0]=4 11514 B13R0.66 CCCNC(=O)CSCCOCCC 62a_100000183358_100011215938 [0,2,0,0,0,0|2,0,0]=4 11515 B13R0.66 CCCNC(=O)CSCCOCCC 62a_100011215938_100000183358 [0,2,0,0,0,0|2,0,0]=4 11516 B13R0.66 CCCNC(=O)NCCCCCCO 2708a_100020643023_100000686447 [0,2,0,0,0,0|2,0,0]=4 11517 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100000686447_100020643023 [0,2,0,0,0,0|2,0,0]=4 11518 B13R0.66 CCCNC(=O)NCCCCCCO 273464a_100020643023_100000686447 [0,2,0,0,0,0|2,0,0]=4 11519 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100000686447_100020643023 [0,2,0,0,0,0|2,0,0]=4 11520 B13R0.66 CCCNC(=O)NCCCCCCO 512a_100020643023_100000686447 [0,2,0,0,0,0|2,0,0]=4 11521 B13R0.66 CCCNC(=O)NCCCCCOC 2708a_100000747528_100020643023 [0,2,0,0,0,0|2,0,0]=4 11522 B13R0.66 CCCNC(=O)NCCCCCOC 2708a_100020643023_100000747528 [0,2,0,0,0,0|2,0,0]=4 11523 B13R0.66 CCCNC(=O)NCCCCCOC 273464a_100000747528_100020643023 [0,2,0,0,0,0|2,0,0]=4 11524 B13R0.66 CCCNC(=O)NCCCCCOC 273464a_100020643023_100000747528 [0,2,0,0,0,0|2,0,0]=4 11525 B13R0.66 CCCNC(=O)NCCCCCOC 512a_100000747528_100020643023 [0,2,0,0,0,0|2,0,0]=4 11526 B13R0.66 CCCNC(=O)NCCCCCOC 512a_100020643023_100000747528 [0,2,0,0,0,0|2,0,0]=4 11527 B13R0.66 CCCNC(=O)NCCCOCCC 2708a_100011217757_100020643023 [0,2,0,0,0,0|2,0,0]=4 11528 B13R0.66 CCCNC(=O)NCCCOCCC 2708a_100020643023_100011217757 [0,2,0,0,0,0|2,0,0]=4 11529 B13R0.66 CCCNC(=O)NCCCOCCC 273464a_100011217757_100020643023 [0,2,0,0,0,0|2,0,0]=4 11530 B13R0.66 CCCNC(=O)NCCCOCCC 273464a_100020643023_100011217757 [0,2,0,0,0,0|2,0,0]=4 11531 B13R0.66 CCCNC(=O)NCCCOCCC 512a_100011217757_100020643023 [0,2,0,0,0,0|2,0,0]=4 11532 B13R0.66 CCCNC(=O)NCCCOCCC 512a_100020643023_100011217757 [0,2,0,0,0,0|2,0,0]=4 11533 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [0,2,0,0,0,0|1,0,0]=3 11534 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [0,2,0,0,0,0|1,0,0]=3 11535 B13R0.66 CCCOC(=O)CNCCCOCC 2230a_100000210961_200011215008 [0,2,0,0,0,0|1,0,0]=3 11536 B13R0.66 CCCOC(=O)CNCCCOCC 34a_100000210961_200011215008 [0,2,0,0,0,0|1,0,0]=3 11537 B13R0.66 CCCOC(=O)CNCCOCCO 2230a_100000211614_200011215008 [0,2,0,0,0,0|2,0,0]=4 11538 B13R0.66 CCCOC(=O)CNCCOCCO 34a_100000211614_200011215008 [0,2,0,0,0,0|2,0,0]=4 11539 B13R0.66 CCCOC(=O)CNCCSCCC 2230a_100020603323_200011215008 [0,2,0,0,0,0|1,0,0]=3 11540 B13R0.66 CCCOC(=O)CNCCSCCO 2230a_100011219999_200011215008 [0,2,0,0,0,0|2,0,0]=4 11541 B13R0.66 CCCOC(=O)COCCCCCBr 34a_100000746331_200011215008 [0,2,0,0,0,0|1,0,0]=3 11542 B13R0.66 CCCOC(=O)COCCCCCBr 7a_100000746331_200011215008 [0,2,0,0,0,0|1,0,0]=3 11543 B13R0.66 CCCOC(=O)COCCCCCCl 34a_100000746330_200011215008 [0,2,0,0,0,0|1,0,0]=3 11544 B13R0.66 CCCOC(=O)COCCCCCCl 7a_100000746330_200011215008 [0,2,0,0,0,0|1,0,0]=3 11545 B13R0.66 CCCOC(=O)COCCCCCI 34a_200012148887_200011215008 [0,2,0,0,0,0|1,0,0]=3 11546 B13R0.66 CCCOC(=O)COCCCCCI 7a_200012148887_200011215008 [0,2,0,0,0,0|1,0,0]=3 11547 B13R0.66 CCCOC(=O)COCCCCCN 34a_100000762737_200011215008 [0,2,0,0,0,0|1,0,0]=3 11548 B13R0.66 CCCOC(=O)COCCCCOC 34a_100000740925_200011215008 [0,2,0,0,0,0|1,0,0]=3 11549 B13R0.66 CCCOC(=O)COCCCCSC 34a_100011217163_200011215008 [0,2,0,0,0,0|1,0,0]=3 11550 B13R0.66 CCCOC(=O)COCCCCSC 7a_100011217163_200011215008 [0,2,0,0,0,0|1,0,0]=3 11551 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [0,2,0,0,0,0|1,0,0]=3 11552 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [0,2,0,0,0,0|1,0,0]=3 11553 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [0,2,0,0,0,0|1,0,0]=3 11554 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [0,2,0,0,0,0|1,0,0]=3 11555 B13R0.66 CCCOC(=O)COCCOCCBr 34a_100000692535_200011215008 [0,2,0,0,0,0|2,0,0]=4 11556 B13R0.66 CCCOC(=O)COCCOCCBr 7a_100000692535_200011215008 [0,2,0,0,0,0|2,0,0]=4 11557 B13R0.66 CCCOC(=O)COCCOCCCl 34a_100011215305_200011215008 [0,2,0,0,0,0|2,0,0]=4 11558 B13R0.66 CCCOC(=O)COCCOCCCl 7a_100011215305_200011215008 [0,2,0,0,0,0|2,0,0]=4 11559 B13R0.66 CCCOC(=O)COCCOCCF 34a_200015357709_200011215008 [0,2,0,0,0,0|2,0,0]=4 11560 B13R0.66 CCCOC(=O)COCCOCCF 7a_200015357709_200011215008 [0,2,0,0,0,0|2,0,0]=4 11561 B13R0.66 CCCOC(=O)COCCOCCI 34a_100012149058_200011215008 [0,2,0,0,0,0|2,0,0]=4 11562 B13R0.66 CCCOC(=O)COCCOCCI 7a_100012149058_200011215008 [0,2,0,0,0,0|2,0,0]=4 11563 B13R0.66 CCCOC(=O)COCCOCCN 34a_100000211614_200011215008 [0,2,0,0,0,0|2,0,0]=4 11564 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [0,2,0,0,0,0|1,0,0]=3 11565 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [0,2,0,0,0,0|1,0,0]=3 11566 B13R0.66 CCCOC(=O)CSCCCCC#N 62a_100011219923_200011215008 [0,2,0,0,0,0|1,0,1]=4 11567 B13R0.66 CCCOC(=O)CSCCCCC#N 62a_200011215008_100000211819 [0,2,0,0,0,0|1,0,1]=4 11568 B13R0.66 CCCOC(=O)CSCCCCC=O 62a_100000139335_200011215008 [0,2,0,0,0,0|1,0,1]=4 11569 B13R0.66 CCCOC(=O)CSCCCCC=O 62a_200011215008_100000139335 [0,2,0,0,0,0|1,0,1]=4 11570 B13R0.66 CCCOC(=O)CSCCCCCF 62a_100000729378_200011215008 [0,2,0,0,0,0|1,0,0]=3 11571 B13R0.66 CCCOC(=O)CSCCCCCF 62a_200011215008_100000729378 [0,2,0,0,0,0|1,0,0]=3 11572 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [0,2,0,0,0,0|1,0,0]=3 11573 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [0,2,0,0,0,0|1,0,0]=3 11574 B13R0.66 CCCOC(=O)CSCCCCOC 62a_100000730899_200011215008 [0,2,0,0,0,0|1,0,0]=3 11575 B13R0.66 CCCOC(=O)CSCCCCOC 62a_200011215008_100000730899 [0,2,0,0,0,0|1,0,0]=3 11576 B13R0.66 CCCOC(=O)CSCCCOCC 62a_100012232248_200011215008 [0,2,0,0,0,0|1,0,0]=3 11577 B13R0.66 CCCOC(=O)CSCCCOCC 62a_200011215008_100012232248 [0,2,0,0,0,0|1,0,0]=3 11578 B13R0.66 CCCOC(=O)CSCCOCCO 62a_100011215305_200011215008 [0,2,0,0,0,0|2,0,0]=4 11579 B13R0.66 CCCOC(=O)CSCCOCCO 62a_200011215008_100011215305 [0,2,0,0,0,0|2,0,0]=4 11580 B13R0.66 CCCOC(=O)CSCOCCOC 62a_100000231047_200011215008 [0,2,0,0,0,0|2,0,0]=4 11581 B13R0.66 CCCOC(=O)CSCOCCOC 62a_200011215008_100000231047 [0,2,0,0,0,0|2,0,0]=4 11582 B13R0.66 CCCOC(=O)OCNCCCCO 34a_100000750430_200000139673 [0,2,0,0,0,0|2,0,0]=4 11583 B13R0.66 CCCOC(=O)OCNCCCOC 34a_100150723488_200000139673 [0,2,0,0,0,0|2,0,0]=4 11584 B13R0.66 CCCOC(=O)OCNCCOCC 34a_102516460346_200000139673 [0,2,0,0,0,0|2,0,0]=4 11585 B13R0.66 CCCOC(=O)OCOCCCCBr 34a_100011216708_200000139673 [0,2,0,0,0,0|2,0,0]=4 11586 B13R0.66 CCCOC(=O)OCOCCCCCl 34a_100000210776_200000139673 [0,2,0,0,0,0|2,0,0]=4 11587 B13R0.66 CCCOC(=O)OCOCCCCCl 7a_100000210776_200000139673 [0,2,0,0,0,0|2,0,0]=4 11588 B13R0.66 CCCOC(=O)OCOCCCCF 34a_100011995726_200000139673 [0,2,0,0,0,0|2,0,0]=4 11589 B13R0.66 CCCOC(=O)OCOCCCCF 7a_100011995726_200000139673 [0,2,0,0,0,0|2,0,0]=4 11590 B13R0.66 CCCOC(=O)OCOCCCCI 34a_200012148704_200000139673 [0,2,0,0,0,0|2,0,0]=4 11591 B13R0.66 CCCOC(=O)OCOCCCCN 34a_100000750430_200000139673 [0,2,0,0,0,0|2,0,0]=4 11592 B13R0.66 CCCOC(=O)OCOCCCNC 34a_100000213112_200000139673 [0,2,0,0,0,0|2,0,0]=4 11593 B13R0.66 CCCOC(=O)OCOCCCOC 34a_100000740835_200000139673 [0,2,0,0,0,0|2,0,0]=4 11594 B13R0.66 CCCOC(=O)OCOCCCSC 34a_100000690336_200000139673 [0,2,0,0,0,0|2,0,0]=4 11595 B13R0.66 CCCOC(=O)OCOCCCSC 7a_100000690336_200000139673 [0,2,0,0,0,0|2,0,0]=4 11596 B13R0.66 CCCOC(=O)OCOCCOCC 34a_100000210136_200000139673 [0,2,0,0,0,0|2,0,0]=4 11597 B13R0.66 CCCOC(=O)OCOCCOCC 7a_100000210136_200000139673 [0,2,0,0,0,0|2,0,0]=4 11598 B13R0.66 CCCOC(=O)OCOCCSCC 34a_100000212035_200000139673 [0,2,0,0,0,0|2,0,0]=4 11599 B13R0.66 CCCOC(=O)OCOCCSCC 7a_100000212035_200000139673 [0,2,0,0,0,0|2,0,0]=4 11600 B13R0.66 CCCOC(=O)OCSCCCCF 62a_100000729493_200000139673 [0,2,0,0,0,0|2,0,0]=4 11601 B13R0.66 CCCOC(=O)OCSCCCCO 62a_100000210776_200000139673 [0,2,0,0,0,0|2,0,0]=4 11602 B13R0.66 CCCOC(=O)OCSCCCOC 62a_100000709357_200000139673 [0,2,0,0,0,0|2,0,0]=4 11603 B13R0.66 CCCOC(=O)OCSCCOCC 62a_100000210147_200000139673 [0,2,0,0,0,0|2,0,0]=4 11604 B13R0.66 CCCOC(=O)OCSCCSCC 62a_100000757381_200000139673 [0,2,0,0,0,0|2,0,0]=4 11605 B13R0.66 CCCOCCCNC(=O)CCOC 1626a_100011217757_100000749529 [0,2,0,0,0,0|2,0,0]=4 11606 B13R0.66 CCCOCCCNC(=O)CCOC 240690a_100011217757_100000749529 [0,2,0,0,0,0|2,0,0]=4 11607 B13R0.66 CCCOCCCNC(=O)CCOC 527a_100011217757_100000749529 [0,2,0,0,0,0|2,0,0]=4 11608 B13R0.66 CCCOCCCNC(=O)CCSC 1626a_100011217757_100000174002 [0,2,0,0,0,0|2,0,0]=4 11609 B13R0.66 CCCOCCCNC(=O)CCSC 240690a_100011217757_100000174002 [0,2,0,0,0,0|2,0,0]=4 11610 B13R0.66 CCCOCCCNC(=O)CCSC 527a_100011217757_100000174002 [0,2,0,0,0,0|2,0,0]=4 11611 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [0,2,0,0,0,0|1,0,0]=3 11612 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [0,2,0,0,0,0|1,0,0]=3 11613 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [0,2,0,0,0,0|1,0,0]=3 11614 B13R0.66 CCCOCCCNC(=O)CSCC 1626a_100011217757_100000230394 [0,2,0,0,0,0|1,1,0]=4 11615 B13R0.66 CCCOCCCNC(=O)CSCC 240690a_100011217757_100000230394 [0,2,0,0,0,0|1,1,0]=4 11616 B13R0.66 CCCOCCCNC(=O)CSCC 527a_100011217757_100000230394 [0,2,0,0,0,0|1,1,0]=4 11617 B13R0.66 CCCOCCCNC(=O)NCCF 2708a_100011217757_100000724931 [0,2,0,0,0,0|2,0,0]=4 11618 B13R0.66 CCCOCCCNC(=O)NCCF 273464a_100000724931_100011217757 [0,2,0,0,0,0|2,0,0]=4 11619 B13R0.66 CCCOCCCNC(=O)NCCF 273464a_100011217757_100000724931 [0,2,0,0,0,0|2,0,0]=4 11620 B13R0.66 CCCOCCCNC(=O)NCCF 512a_100011217757_100000724931 [0,2,0,0,0,0|2,0,0]=4 11621 B13R0.66 CCCOCCCNC(=O)NCCO 2708a_100011217757_100000210304 [0,2,0,0,0,0|2,0,0]=4 11622 B13R0.66 CCCOCCCNC(=O)NCCO 273464a_100000210304_100011217757 [0,2,0,0,0,0|2,0,0]=4 11623 B13R0.66 CCCOCCCNC(=O)NCCO 273464a_100011217757_100000210304 [0,2,0,0,0,0|2,0,0]=4 11624 B13R0.66 CCCOCCCNC(=O)NCCO 512a_100011217757_100000210304 [0,2,0,0,0,0|2,0,0]=4 11625 B13R0.66 CCCOCCCNC(=O)NNCC 273464a_100011217757_100000756455 [0,2,0,0,0,0|2,0,0]=4 11626 B13R0.66 CCCOCCCNC(=O)NNCC 512a_100000756455_100011217757 [0,2,0,0,0,0|2,0,0]=4 11627 B13R0.66 CCCOCCCNC(=O)NNCC 512a_100011217757_100000756455 [0,2,0,0,0,0|2,0,0]=4 11628 B13R0.66 CCCOCCNCC(=O)NCCF 2230a_100000725713_100011215938 [0,2,0,0,0,0|2,0,0]=4 11629 B13R0.66 CCCOCCNCC(=O)OCCC 2230a_100161115042_200011215008 [0,2,0,0,0,0|1,0,0]=3 11630 B13R0.66 CCCOCCNCC(=O)OCCC 34a_100161115042_200011215008 [0,2,0,0,0,0|1,0,0]=3 11631 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [0,2,0,0,0,0|1,0,0]=3 11632 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [0,2,0,0,0,0|1,0,0]=3 11633 B13R0.66 CCCOCCSCC(=O)OCCC 62a_100011215938_200011215008 [0,2,0,0,0,0|1,0,0]=3 11634 B13R0.66 CCCOCCSCC(=O)OCCC 62a_200011215008_100011215938 [0,2,0,0,0,0|1,0,0]=3 11635 B13R0.66 CCNNC(=O)CCCCCCCO 22a_100000756455_100011219782 [0,2,0,0,0,0|1,0,0]=3 11636 B13R0.66 CCNNC(=O)NCCCCCCO 273464a_100000686447_100000756455 [0,2,0,0,0,0|2,0,0]=4 11637 B13R0.66 CCNNC(=O)NCCCCCCO 512a_100000686447_100000756455 [0,2,0,0,0,0|2,0,0]=4 11638 B13R0.66 CCNNC(=O)NCCCCCCO 512a_100000756455_100000686447 [0,2,0,0,0,0|2,0,0]=4 11639 B13R0.66 CCNNC(=O)NCCCCCOC 273464a_100000747528_100000756455 [0,2,0,0,0,0|2,0,0]=4 11640 B13R0.66 CCNNC(=O)NCCCCCOC 512a_100000747528_100000756455 [0,2,0,0,0,0|2,0,0]=4 11641 B13R0.66 CCNNC(=O)NCCCCCOC 512a_100000756455_100000747528 [0,2,0,0,0,0|2,0,0]=4 11642 B13R0.66 CCOCC(=O)CCCCCCC#N 1458a_100000211967_100009813337 [0,2,0,0,0,0|0,0,1]=3 11643 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [0,2,0,0,0,0|0,0,0]=2 11644 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [0,2,0,0,0,0|0,0,0]=2 11645 B13R0.66 CCOCC(=O)CCCOCCOC 1458a_100000211967_100011216529 [0,2,0,0,0,0|1,0,0]=3 11646 B13R0.66 CCOCC(=O)NCCCCCC#N 11a_100000061152_100000211967 [0,2,0,0,0,0|1,0,1]=4 11647 B13R0.66 CCOCC(=O)NCCCCCC#N 1626a_100000061152_100000211967 [0,2,0,0,0,0|1,0,1]=4 11648 B13R0.66 CCOCC(=O)NCCCCCC#N 240690a_100000061152_100000211967 [0,2,0,0,0,0|1,0,1]=4 11649 B13R0.66 CCOCC(=O)NCCCCCC#N 527a_100000061152_100000211967 [0,2,0,0,0,0|1,0,1]=4 11650 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [0,2,0,0,0,0|1,0,0]=3 11651 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [0,2,0,0,0,0|1,0,0]=3 11652 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [0,2,0,0,0,0|1,0,0]=3 11653 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [0,2,0,0,0,0|1,0,0]=3 11654 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [0,2,0,0,0,0|1,0,0]=3 11655 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [0,2,0,0,0,0|1,0,0]=3 11656 B13R0.66 CCOCC(=O)NCCOCCOC 11a_100000745349_100000211967 [0,2,0,0,0,0|2,0,0]=4 11657 B13R0.66 CCOCC(=O)NCCOCCOC 1626a_100000745349_100000211967 [0,2,0,0,0,0|2,0,0]=4 11658 B13R0.66 CCOCC(=O)NCCOCCOC 240690a_100000745349_100000211967 [0,2,0,0,0,0|2,0,0]=4 11659 B13R0.66 CCOCC(=O)NCCOCCOC 527a_100000745349_100000211967 [0,2,0,0,0,0|2,0,0]=4 11660 B13R0.66 CCOCCCNCC(=O)NCCF 2230a_100000725713_100012232248 [0,2,0,0,0,0|2,0,0]=4 11661 B13R0.66 CCOCCOCCC(=O)CCOC 1458a_100000749529_100011211534 [0,2,0,0,0,0|2,0,0]=4 11662 B13R0.66 CCOCCOCCC(=O)CCSC 1458a_100000174002_100011211534 [0,2,0,0,0,0|2,0,0]=4 11663 B13R0.66 CCOCCOCCC(=O)COCC 1458a_100000211967_100011211534 [0,2,0,0,0,0|1,0,0]=3 11664 B13R0.66 CCOCCOCCC(=O)CSCC 1458a_100000230394_100011211534 [0,2,0,0,0,0|1,1,0]=4 11665 B13R0.66 CCSCC(=O)CCCCCCC#N 1458a_100000230394_100009813337 [0,2,0,0,0,0|0,1,1]=4 11666 B13R0.66 CCSCC(=O)CCCCCCCO 1458a_100000230394_100000760002 [0,2,0,0,0,0|0,1,0]=3 11667 B13R0.66 CCSCC(=O)CCCCCCOC 1458a_100000230394_100011998445 [0,2,0,0,0,0|0,1,0]=3 11668 B13R0.66 CCSCC(=O)CCCOCCOC 1458a_100000230394_100011216529 [0,2,0,0,0,0|1,1,0]=4 11669 B13R0.66 CCSCC(=O)NCCCCCCO 240690a_100000686447_100000230394 [0,2,0,0,0,0|1,1,0]=4 11670 B13R0.66 CCSCC(=O)NCCCCCCO 527a_100000686447_100000230394 [0,2,0,0,0,0|1,1,0]=4 11671 B13R0.66 CCSCC(=O)NCCCCCOC 11a_100000747528_100000230394 [0,2,0,0,0,0|1,1,0]=4 11672 B13R0.66 CCSCC(=O)NCCCCCOC 1626a_100000747528_100000230394 [0,2,0,0,0,0|1,1,0]=4 11673 B13R0.66 CCSCC(=O)NCCCCCOC 240690a_100000747528_100000230394 [0,2,0,0,0,0|1,1,0]=4 11674 B13R0.66 CCSCC(=O)NCCCCCOC 527a_100000747528_100000230394 [0,2,0,0,0,0|1,1,0]=4 11675 B13R0.66 COC=CC(=O)CCCCCCCO 1458a_100016268678_100000760002 [0,2,0,0,0,0|1,0,1]=4 11676 B13R0.66 COC=CC(=O)CCCCCCOC 1458a_100016268678_100011998445 [0,2,0,0,0,0|1,0,1]=4 11677 B13R0.66 COCCC(=O)CCCCCCC#N 1458a_100000749529_100009813337 [0,2,0,0,0,0|1,0,1]=4 11678 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [0,2,0,0,0,0|1,0,0]=3 11679 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [0,2,0,0,0,0|1,0,0]=3 11680 B13R0.66 COCCC(=O)NCCCCCCO 240690a_100000686447_100000749529 [0,2,0,0,0,0|2,0,0]=4 11681 B13R0.66 COCCC(=O)NCCCCCCO 527a_100000686447_100000749529 [0,2,0,0,0,0|2,0,0]=4 11682 B13R0.66 COCCCCCCC(=O)C#CCO 1458a_100000049017_100011998445 [0,2,0,0,0,0|1,0,1]=4 11683 B13R0.66 COCCCCCCC(=O)CCC#N 1458a_100011934036_100011998445 [0,2,0,0,0,0|1,0,1]=4 11684 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [0,2,0,0,0,0|1,0,0]=3 11685 B13R0.66 COCCCCCCC(=O)CCSC 1458a_100000174002_100011998445 [0,2,0,0,0,0|1,0,0]=3 11686 B13R0.66 COCCCCCNC(=O)CCOC 11a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 11687 B13R0.66 COCCCCCNC(=O)CCOC 1626a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 11688 B13R0.66 COCCCCCNC(=O)CCOC 240690a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 11689 B13R0.66 COCCCCCNC(=O)CCOC 527a_100000747528_100000749529 [0,2,0,0,0,0|2,0,0]=4 11690 B13R0.66 COCCCCCNC(=O)CCSC 11a_100000747528_100000174002 [0,2,0,0,0,0|2,0,0]=4 11691 B13R0.66 COCCCCCNC(=O)CCSC 1626a_100000747528_100000174002 [0,2,0,0,0,0|2,0,0]=4 11692 B13R0.66 COCCCCCNC(=O)CCSC 240690a_100000747528_100000174002 [0,2,0,0,0,0|2,0,0]=4 11693 B13R0.66 COCCCCCNC(=O)CCSC 527a_100000747528_100000174002 [0,2,0,0,0,0|2,0,0]=4 11694 B13R0.66 COCCCCCNC(=O)NCCF 2708a_100000747528_100000724931 [0,2,0,0,0,0|2,0,0]=4 11695 B13R0.66 COCCCCCNC(=O)NCCF 273464a_100000724931_100000747528 [0,2,0,0,0,0|2,0,0]=4 11696 B13R0.66 COCCCCCNC(=O)NCCF 273464a_100000747528_100000724931 [0,2,0,0,0,0|2,0,0]=4 11697 B13R0.66 COCCCCCNC(=O)NCCF 512a_100000747528_100000724931 [0,2,0,0,0,0|2,0,0]=4 11698 B13R0.66 COCCCCCNC(=O)NCCO 2708a_100000747528_100000210304 [0,2,0,0,0,0|2,0,0]=4 11699 B13R0.66 COCCCCCNC(=O)NCCO 273464a_100000210304_100000747528 [0,2,0,0,0,0|2,0,0]=4 11700 B13R0.66 COCCCCCNC(=O)NCCO 273464a_100000747528_100000210304 [0,2,0,0,0,0|2,0,0]=4 11701 B13R0.66 COCCCCCNC(=O)NCCO 512a_100000747528_100000210304 [0,2,0,0,0,0|2,0,0]=4 11702 B13R0.66 COCCCCNCC(=O)NCCF 2230a_100000725713_100000730899 [0,2,0,0,0,0|2,0,0]=4 11703 B13R0.66 COCCOCCCC(=O)CCOC 1458a_100000749529_100011216529 [0,2,0,0,0,0|2,0,0]=4 11704 B13R0.66 COCCOCCCC(=O)CCSC 1458a_100000174002_100011216529 [0,2,0,0,0,0|2,0,0]=4 11705 B13R0.66 CSCCC(=O)CCCCCCC#N 1458a_100000174002_100009813337 [0,2,0,0,0,0|1,0,1]=4 11706 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100000174002_100000760002 [0,2,0,0,0,0|1,0,0]=3 11707 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100011219782_100000751147 [0,2,0,0,0,0|1,0,0]=3 11708 B13R0.66 CSCCC(=O)NCCCCCCO 240690a_100000686447_100000174002 [0,2,0,0,0,0|2,0,0]=4 11709 B13R0.66 CSCCC(=O)NCCCCCCO 527a_100000686447_100000174002 [0,2,0,0,0,0|2,0,0]=4 11710 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011219782_100011215226 [0,2,0,0,0,0|1,0,1]=4 11711 B13R0.66 N#CCCC(=O)CCCCCCCO 1458a_100011934036_100000760002 [0,2,0,0,0,0|1,0,1]=4 11712 B13R0.66 O=C(C#CCO)CCCCCCCO 1458a_100000049017_100000760002 [0,2,0,0,0,0|1,0,1]=4 11713 B13R0.66 O=C(CCCCCCCO)NCCF 240690a_100000724931_100011219782 [0,2,0,0,0,0|1,0,0]=3 11714 B13R0.66 O=C(CCCCCCCO)NCCO 240690a_100000210304_100011219782 [0,2,0,0,0,0|1,0,0]=3 11715 B13R0.66 O=C(CCCF)CCCCCCCO 1458a_100011219782_100011934791 [0,2,0,0,0,0|1,0,0]=3 11716 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [0,2,0,0,0,0|1,0,0]=3 11717 B13R0.66 O=C(CNCCCCCF)NCCF 2230a_100000725713_100000729378 [0,2,0,0,0,0|2,0,0]=4 11718 B13R0.66 O=C(CNCCCCCO)NCCF 2230a_100000725713_100000746330 [0,2,0,0,0,0|2,0,0]=4 11719 B13R0.66 O=C(NCCF)NCCCCCCO 273464a_100000686447_100000724931 [0,2,0,0,0,0|2,0,0]=4 11720 B13R0.66 O=C(NCCF)NCCCCCCO 273464a_100000724931_100000686447 [0,2,0,0,0,0|2,0,0]=4 11721 B13R0.66 O=C(NCCF)NCCCCCCO 512a_100000686447_100000724931 [0,2,0,0,0,0|2,0,0]=4 11722 B13R0.66 O=C(NCCO)NCCCCCCO 273464a_100000210304_100000686447 [0,2,0,0,0,0|2,0,0]=4 11723 B13R0.66 O=C(NCCO)NCCCCCCO 273464a_100000686447_100000210304 [0,2,0,0,0,0|2,0,0]=4 11724 B13R0.66 O=C(NCCO)NCCCCCCO 512a_100000686447_100000210304 [0,2,0,0,0,0|2,0,0]=4 11725 B13R0.87 C#CC(=O)CCCCCC(=O)OCC 1458a_100000211873_100000755133 [0,2,0,0,0,0|0,0,2]=4 11726 B13R0.87 C#CC(C)NCCCCC(=O)OCC 2230a_100000707721_100000750268 [0,2,0,0,0,0|1,0,0]=3 11727 B13R0.87 C#CC(C)NCCCCC(=O)OCC 34a_100000707721_100000750268 [0,2,0,0,0,0|1,0,0]=3 11728 B13R0.87 C#CC(C)NCCOCC(=O)OCC 2230a_100000707721_100000088970 [0,2,0,0,0,0|2,0,0]=4 11729 B13R0.87 C#CC(C)NCCOCC(=O)OCC 34a_100000707721_100000088970 [0,2,0,0,0,0|2,0,0]=4 11730 B13R0.87 C#CC(C)SCCCCC(=O)OCC 62a_200000035995_100000750268 [0,2,0,0,0,0|1,0,0]=3 11731 B13R0.87 C#CC(C)SCCOCC(=O)OCC 62a_200000035995_100000088970 [0,2,0,0,0,0|2,0,0]=4 11732 B13R0.87 C#CC(O)CCCCCC(=O)CCC 1458a_100000211992_200010408556 [0,2,0,0,0,0|1,0,1]=4 11733 B13R0.87 C#C[C@@H](C)OCCCCC(=O)OCC 34a_100009815206_100000750268 [0,2,0,0,0,0|1,0,0]=3 11734 B13R0.87 C#C[C@@H](C)OCCCCC(=O)OCC 7a_100009815206_100000750268 [0,2,0,0,0,0|1,0,0]=3 11735 B13R0.87 C#C[C@@H](C)OCCOCC(=O)OCC 34a_100009815206_100000088970 [0,2,0,0,0,0|2,0,0]=4 11736 B13R0.87 C#C[C@@H](C)OCCOCC(=O)OCC 7a_100009815206_100000088970 [0,2,0,0,0,0|2,0,0]=4 11737 B13R0.87 C=CC(=O)CCCCCC(=O)OCC 1458a_100000185746_100000755133 [0,2,0,0,0,0|0,0,2]=4 11738 B13R0.87 C=CC(C)COCCCC(=O)OCC 34a_100011215527_100009991533 [0,2,0,0,0,0|1,0,0]=3 11739 B13R0.87 C=CC(C)COCCCC(=O)OCC 7a_100011215527_100011215271 [0,2,0,0,0,0|1,0,0]=3 11740 B13R0.87 C=CC(C)COCCNC(=O)OCC 7a_100011215527_200011445536 [0,2,0,0,0,0|2,0,0]=4 11741 B13R0.87 C=CC(C)OCCCCC(=O)OCC 34a_100000695699_100000750268 [0,2,0,0,0,0|1,0,0]=3 11742 B13R0.87 C=CC(C)OCCOCC(=O)OCC 34a_100000695699_100000088970 [0,2,0,0,0,0|2,0,0]=4 11743 B13R0.87 C=CC(C)SCCCCC(=O)OCC 62a_100011215867_100000750268 [0,2,0,0,0,0|1,0,0]=3 11744 B13R0.87 C=CC(C)SCCOCC(=O)OCC 62a_100011215867_100000088970 [0,2,0,0,0,0|2,0,0]=4 11745 B13R0.87 C=CC(O)COCCCC(=O)OCC 7a_100012001163_100000730141 [0,2,0,0,0,0|0,0,2]=4 11746 B13R0.87 C=CC(O)CSCCCC(=O)OCC 62a_100000730141_100009991533 [0,2,0,0,0,0|0,0,2]=4 11747 B13R0.87 C=CC(O)CSCCCC(=O)OCC 62a_100009991533_100000730141 [0,2,0,0,0,0|0,0,2]=4 11748 B13R0.87 C=C[C@H](N)COCCCC(=O)OCC 34a_100016989147_100009991533 [0,2,0,0,0,0|0,0,2]=4 11749 B13R0.87 CCC(C)CCCOCC(=O)NCO 7a_100011216074_100000185155 [0,2,0,0,0,0|2,0,0]=4 11750 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100000211992_100009816466 [0,2,0,0,0,0|1,0,1]=4 11751 B13R0.87 CCCC(=O)CCCCCC(=O)OC 1458a_100009848860_100000210303 [0,2,0,0,0,0|1,0,1]=4 11752 B13R0.87 CCCC(=O)COCCCC(C)CC 7a_100011216074_100000747444 [0,2,0,0,0,0|1,0,0]=3 11753 B13R0.87 CCCC(=O)CSCCCN(C)CC 62a_100000747444_100015186262 [0,2,0,0,0,0|2,0,0]=4 11754 B13R0.87 CCCC(=O)OCNCCC(C)CC 2230a_100020591266_100000034017 [0,2,0,0,0,0|2,0,0]=4 11755 B13R0.87 CCNC(=O)CCCCCC(=O)OC 11a_100015525214_100009848860 [0,2,0,0,0,0|1,0,1]=4 11756 B13R0.87 CCNC(=O)CCCCCC(=O)OC 240690a_100015525214_100009848860 [0,2,0,0,0,0|1,0,1]=4 11757 B13R0.87 CCNC(=O)CCNCCC(C)CC 2230a_100020591266_100000737597 [0,2,0,0,0,0|1,0,0]=3 11758 B13R0.87 CCNC(=O)CCNCCC(C)CO 2230a_106354213184_100000737597 [0,2,0,0,0,0|2,0,0]=4 11759 B13R0.87 CCNC(=O)CCOCCC(C)CC 7a_100011215188_100000737597 [0,2,0,0,0,0|1,0,0]=3 11760 B13R0.87 CCNC(=O)CCOCCC(C)OC 7a_100000764861_100000737597 [0,2,0,0,0,0|2,0,0]=4 11761 B13R0.87 CCNC(=O)CNCCCN(C)CC 2230a_100016988866_100015186262 [0,2,0,0,0,0|2,0,0]=4 11762 B13R0.87 CCNC(=O)COCCCC(C)CC 7a_100011216074_100000183381 [0,2,0,0,0,0|1,0,0]=3 11763 B13R0.87 CCNC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000183381 [0,2,0,0,0,0|2,0,0]=4 11764 B13R0.87 CCNC(=O)CSCCCN(C)CC 62a_100000183381_100015186262 [0,2,0,0,0,0|2,0,0]=4 11765 B13R0.87 CCOC(=O)/C=C/CNCC(C)CC 2230a_100020588543_100016267167 [0,2,0,0,0,0|0,0,2]=4 11766 B13R0.87 CCOC(=O)/C=C/CNCC(O)CC 2230a_100011218483_100016267167 [0,2,0,0,0,0|0,0,2]=4 11767 B13R0.87 CCOC(=O)/C=C/COC[C@@H](C)CC 7a_100009816381_100016267167 [0,2,0,0,0,0|0,0,2]=4 11768 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100000748023_100016267167 [0,2,0,0,0,0|0,0,2]=4 11769 B13R0.87 CCOC(=O)/C=C/CSCC(C)CC 62a_100016267167_100000748023 [0,2,0,0,0,0|0,0,2]=4 11770 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100011218378_100016267167 [0,2,0,0,0,0|0,0,2]=4 11771 B13R0.87 CCOC(=O)/C=C/CSCC(O)CC 62a_100016267167_100011218378 [0,2,0,0,0,0|0,0,2]=4 11772 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100009816398_100016267167 [0,2,0,0,0,0|0,0,2]=4 11773 B13R0.87 CCOC(=O)/C=C/CSC[C@@H](C)CC 62a_100016267167_100009816398 [0,2,0,0,0,0|0,0,2]=4 11774 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [0,2,0,0,0,0|0,0,0]=2 11775 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [0,2,0,0,0,0|0,0,0]=2 11776 B13R0.87 CCOC(=O)CCCCCC(=O)CF 1458a_100000037472_100015361967 [0,2,0,0,0,0|0,0,1]=3 11777 B13R0.87 CCOC(=O)CCCCCC(=O)CO 1458a_100000210174_100000755133 [0,2,0,0,0,0|0,0,1]=3 11778 B13R0.87 CCOC(=O)CCCCCC(=O)NC 11a_106832991635_100000037472 [0,2,0,0,0,0|0,0,1]=3 11779 B13R0.87 CCOC(=O)CCCCCC(=O)NC 1626a_100102657272_100000037472 [0,2,0,0,0,0|0,0,1]=3 11780 B13R0.87 CCOC(=O)CCCCCC(=O)NC 240690a_100102657272_100000037472 [0,2,0,0,0,0|0,0,1]=3 11781 B13R0.87 CCOC(=O)CCCCCC(=O)NC 527a_100102657272_100000037472 [0,2,0,0,0,0|0,0,1]=3 11782 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [0,2,0,0,0,0|0,0,0]=2 11783 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [0,2,0,0,0,0|0,0,0]=2 11784 B13R0.87 CCOC(=O)CCCCNC(=O)CC 188690a_100000718961_100000210414 [0,2,0,0,0,0|0,0,1]=3 11785 B13R0.87 CCOC(=O)CCCCNC(=O)CO 188690a_100000718961_100000210174 [0,2,0,0,0,0|1,0,1]=4 11786 B13R0.87 CCOC(=O)CCCCNC(C)C#N 2230a_100000737613_100000750268 [0,2,0,0,0,0|1,0,0]=3 11787 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [0,2,0,0,0,0|0,0,0]=2 11788 B13R0.87 CCOC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000750268 [0,2,0,0,0,0|1,0,0]=3 11789 B13R0.87 CCOC(=O)CCCCOC(C)C#N 34a_100011218135_100000750268 [0,2,0,0,0,0|1,0,0]=3 11790 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [0,2,0,0,0,0|0,0,0]=2 11791 B13R0.87 CCOC(=O)CCCCOC(C)CF 34a_100016041109_100000750268 [0,2,0,0,0,0|1,0,0]=3 11792 B13R0.87 CCOC(=O)CCCCOC(C)CF 7a_100016041109_100000750268 [0,2,0,0,0,0|1,0,0]=3 11793 B13R0.87 CCOC(=O)CCCCOC(C)CN 34a_100000210904_100000750268 [0,2,0,0,0,0|1,0,0]=3 11794 B13R0.87 CCOC(=O)CCCCSC(C)C#N 62a_100000703298_100000750268 [0,2,0,0,0,0|1,0,0]=3 11795 B13R0.87 CCOC(=O)CCCCSC(C)C#N 62a_100000750268_100000703298 [0,2,0,0,0,0|1,0,0]=3 11796 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [0,2,0,0,0,0|0,0,0]=2 11797 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [0,2,0,0,0,0|0,0,0]=2 11798 B13R0.87 CCOC(=O)CCCCSC(C)CO 62a_100012180447_100000750268 [0,2,0,0,0,0|1,0,0]=3 11799 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100000750268_100009879195 [0,2,0,0,0,0|1,0,0]=3 11800 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100009879195_100000750268 [0,2,0,0,0,0|1,0,0]=3 11801 B13R0.87 CCOC(=O)CCCCSC(F)C#N 62a_100000750268_200000117898 [0,2,0,0,0,0|1,0,1]=4 11802 B13R0.87 CCOC(=O)CCCCSC(F)C#N 62a_200000117898_100000750268 [0,2,0,0,0,0|1,0,1]=4 11803 B13R0.87 CCOC(=O)CCCCS[C@H](C)CO 62a_100000750268_100016084084 [0,2,0,0,0,0|1,0,0]=3 11804 B13R0.87 CCOC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000750268 [0,2,0,0,0,0|1,0,0]=3 11805 B13R0.87 CCOC(=O)CCCNCC(=O)NC 2230a_100000693194_100009991533 [0,2,0,0,0,0|1,0,1]=4 11806 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [0,2,0,0,0,0|0,0,0]=2 11807 B13R0.87 CCOC(=O)CCCNCC(C)CO 34a_100000744482_100009991533 [0,2,0,0,0,0|1,0,0]=3 11808 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [0,2,0,0,0,0|0,0,0]=2 11809 B13R0.87 CCOC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100009991533 [0,2,0,0,0,0|1,0,0]=3 11810 B13R0.87 CCOC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100009991533 [0,2,0,0,0,0|1,0,0]=3 11811 B13R0.87 CCOC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100009991533 [0,2,0,0,0,0|1,0,0]=3 11812 B13R0.87 CCOC(=O)CCCOCC(=O)CC 34a_100000725409_100009991533 [0,2,0,0,0,0|0,0,1]=3 11813 B13R0.87 CCOC(=O)CCCOCC(=O)CC 7a_100012001163_100000747405 [0,2,0,0,0,0|0,0,1]=3 11814 B13R0.87 CCOC(=O)CCCOCC(=O)NC 34a_100000750040_100009991533 [0,2,0,0,0,0|1,0,1]=4 11815 B13R0.87 CCOC(=O)CCCOCC(=O)NC 7a_100012001163_100000183359 [0,2,0,0,0,0|1,0,1]=4 11816 B13R0.87 CCOC(=O)CCCOCC(=O)OC 7a_100012001163_100000747449 [0,2,0,0,0,0|1,0,1]=4 11817 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [0,2,0,0,0,0|0,0,0]=2 11818 B13R0.87 CCOC(=O)CCCOCC(C)CN 34a_100000744482_100009991533 [0,2,0,0,0,0|1,0,0]=3 11819 B13R0.87 CCOC(=O)CCCOCC(C)OC 34a_100000690652_100009991533 [0,2,0,0,0,0|1,0,0]=3 11820 B13R0.87 CCOC(=O)CCCOCC(Cl)CCl 34a_100000033668_100009991533 [0,2,0,0,0,0|1,0,0]=3 11821 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [0,2,0,0,0,0|0,0,0]=2 11822 B13R0.87 CCOC(=O)CCCOCC(O)CO 7a_100012001163_100011219619 [0,2,0,0,0,0|1,0,0]=3 11823 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [0,2,0,0,0,0|0,0,0]=2 11824 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [0,2,0,0,0,0|0,0,0]=2 11825 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CO 7a_100012001163_100000059175 [0,2,0,0,0,0|1,0,0]=3 11826 B13R0.87 CCOC(=O)CCCOC[C@@H](O)CF 7a_100012001163_100015614560 [0,2,0,0,0,0|1,0,0]=3 11827 B13R0.87 CCOC(=O)CCCOC[C@@H](O)CO 7a_100012001163_100009815848 [0,2,0,0,0,0|1,0,0]=3 11828 B13R0.87 CCOC(=O)CCCOC[C@H](F)CN 34a_100015665980_100009991533 [0,2,0,0,0,0|1,0,0]=3 11829 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100000747405_100009991533 [0,2,0,0,0,0|0,0,1]=3 11830 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100009991533_100000747405 [0,2,0,0,0,0|0,0,1]=3 11831 B13R0.87 CCOC(=O)CCCSCC(=O)NC 62a_100000183359_100009991533 [0,2,0,0,0,0|1,0,1]=4 11832 B13R0.87 CCOC(=O)CCCSCC(=O)NC 62a_100009991533_100000183359 [0,2,0,0,0,0|1,0,1]=4 11833 B13R0.87 CCOC(=O)CCCSCC(=O)OC 62a_100000747449_100009991533 [0,2,0,0,0,0|1,0,1]=4 11834 B13R0.87 CCOC(=O)CCCSCC(=O)OC 62a_100009991533_100000747449 [0,2,0,0,0,0|1,0,1]=4 11835 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [0,2,0,0,0,0|0,0,0]=2 11836 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [0,2,0,0,0,0|0,0,0]=2 11837 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [0,2,0,0,0,0|0,0,0]=2 11838 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [0,2,0,0,0,0|0,0,0]=2 11839 B13R0.87 CCOC(=O)CCCSCC(O)CO 62a_100009991533_100011219619 [0,2,0,0,0,0|1,0,0]=3 11840 B13R0.87 CCOC(=O)CCCSCC(O)CO 62a_100011219619_100009991533 [0,2,0,0,0,0|1,0,0]=3 11841 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [0,2,0,0,0,0|0,0,0]=2 11842 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [0,2,0,0,0,0|0,0,0]=2 11843 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100009991533 [0,2,0,0,0,0|1,0,0]=3 11844 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CO 62a_100009991533_100000059175 [0,2,0,0,0,0|1,0,0]=3 11845 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CF 62a_100009991533_100015614560 [0,2,0,0,0,0|1,0,0]=3 11846 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100009991533 [0,2,0,0,0,0|1,0,0]=3 11847 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100009991533 [0,2,0,0,0,0|1,0,0]=3 11848 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CO 62a_100009991533_100009815848 [0,2,0,0,0,0|1,0,0]=3 11849 B13R0.87 CCOC(=O)CCNCCC(=O)NC 2230a_100000738227_100011206558 [0,2,0,0,0,0|1,0,1]=4 11850 B13R0.87 CCOC(=O)CCNCCC(=O)NC 34a_100000738227_100000765890 [0,2,0,0,0,0|1,0,1]=4 11851 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [0,2,0,0,0,0|0,0,0]=2 11852 B13R0.87 CCOC(=O)CCNCCC(C)CO 2230a_106354213184_100011206558 [0,2,0,0,0,0|1,0,0]=3 11853 B13R0.87 CCOC(=O)CCNCCC(C)CO 34a_106354213184_100000765890 [0,2,0,0,0,0|1,0,0]=3 11854 B13R0.87 CCOC(=O)CCOCCC(=O)NC 34a_100000754576_100000765890 [0,2,0,0,0,0|1,0,1]=4 11855 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [0,2,0,0,0,0|0,0,0]=2 11856 B13R0.87 CCOC(=O)CCOCCC(C)OC 7a_100000764861_100011206558 [0,2,0,0,0,0|1,0,0]=3 11857 B13R0.87 CCOC(=O)CCSCCC(=O)NC 62a_100000737683_100000765890 [0,2,0,0,0,0|1,0,1]=4 11858 B13R0.87 CCOC(=O)CCSCCC(=O)NC 62a_100000765890_100000737683 [0,2,0,0,0,0|1,0,1]=4 11859 B13R0.87 CCOC(=O)CCSCCC(=O)OC 62a_100000204255_100000765890 [0,2,0,0,0,0|1,0,1]=4 11860 B13R0.87 CCOC(=O)CCSCCC(=O)OC 62a_100000765890_100000204255 [0,2,0,0,0,0|1,0,1]=4 11861 B13R0.87 CCOC(=O)CNCCCC(=O)NC 2230a_100000740002_100000188475 [0,2,0,0,0,0|1,0,1]=4 11862 B13R0.87 CCOC(=O)CNCCCC(=O)NC 34a_100000740002_100000188475 [0,2,0,0,0,0|1,0,1]=4 11863 B13R0.87 CCOC(=O)CNCCNC(=O)CC 34a_100132302217_100000188475 [0,2,0,0,0,0|1,0,1]=4 11864 B13R0.87 CCOC(=O)COCCCC(=O)CC 1458a_100000210414_100009893628 [0,2,0,0,0,0|0,0,1]=3 11865 B13R0.87 CCOC(=O)COCCCC(=O)CO 1458a_100000210174_100009893628 [0,2,0,0,0,0|1,0,1]=4 11866 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [0,2,0,0,0,0|0,0,0]=2 11867 B13R0.87 CCOC(=O)COCCCN(C)CC 2230a_100000225621_100009893628 [0,2,0,0,0,0|1,0,0]=3 11868 B13R0.87 CCOC(=O)COCCCN(C)CC 269982a_100000225621_100009893628 [0,2,0,0,0,0|1,0,0]=3 11869 B13R0.87 CCOC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000188475 [0,2,0,0,0,0|1,0,0]=3 11870 B13R0.87 CCOC(=O)COCCNC(=O)CC 34a_200000158885_100000188475 [0,2,0,0,0,0|1,0,1]=4 11871 B13R0.87 CCOC(=O)COCCNC(=O)CC 7a_200000158885_100000188475 [0,2,0,0,0,0|1,0,1]=4 11872 B13R0.87 CCOC(=O)COCCNC(C)C#N 2230a_100000737613_100000088970 [0,2,0,0,0,0|2,0,0]=4 11873 B13R0.87 CCOC(=O)COCCNC(C)CC 2230a_100000209981_100000088970 [0,2,0,0,0,0|1,0,0]=3 11874 B13R0.87 CCOC(=O)COCCN[C@H](C)CO 2230a_100000737577_100000088970 [0,2,0,0,0,0|2,0,0]=4 11875 B13R0.87 CCOC(=O)COCCOC(=O)CC 7a_200000031056_100000188475 [0,2,0,0,0,0|1,0,1]=4 11876 B13R0.87 CCOC(=O)COCCOC(C)C#N 34a_100011218135_100000088970 [0,2,0,0,0,0|2,0,0]=4 11877 B13R0.87 CCOC(=O)COCCOC(C)CC 7a_100000210228_100000088970 [0,2,0,0,0,0|1,0,0]=3 11878 B13R0.87 CCOC(=O)COCCOC(C)CF 34a_100016041109_100000088970 [0,2,0,0,0,0|2,0,0]=4 11879 B13R0.87 CCOC(=O)COCCOC(C)CF 7a_100016041109_100000088970 [0,2,0,0,0,0|2,0,0]=4 11880 B13R0.87 CCOC(=O)COCCOC(C)CN 34a_100000210904_100000088970 [0,2,0,0,0,0|2,0,0]=4 11881 B13R0.87 CCOC(=O)COCCSC(C)C#N 62a_100000088970_100000703298 [0,2,0,0,0,0|2,0,0]=4 11882 B13R0.87 CCOC(=O)COCCSC(C)C#N 62a_100000703298_100000088970 [0,2,0,0,0,0|2,0,0]=4 11883 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000088970_100000758301 [0,2,0,0,0,0|1,0,0]=3 11884 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000758301_100000088970 [0,2,0,0,0,0|1,0,0]=3 11885 B13R0.87 CCOC(=O)COCCSC(C)CO 62a_100012180447_100000088970 [0,2,0,0,0,0|2,0,0]=4 11886 B13R0.87 CCOC(=O)COCCSC(C)OC 62a_100000088970_100009879195 [0,2,0,0,0,0|2,0,0]=4 11887 B13R0.87 CCOC(=O)COCCSC(C)OC 62a_100009879195_100000088970 [0,2,0,0,0,0|2,0,0]=4 11888 B13R0.87 CCOC(=O)COCCS[C@H](C)CO 62a_100000088970_100016084084 [0,2,0,0,0,0|2,0,0]=4 11889 B13R0.87 CCOC(=O)COCCS[C@H](C)CO 62a_100016084084_100000088970 [0,2,0,0,0,0|2,0,0]=4 11890 B13R0.87 CCOC(=O)CSCCCC(=O)NC 62a_100000188475_100000741757 [0,2,0,0,0,0|1,0,1]=4 11891 B13R0.87 CCOC(=O)CSCCCC(=O)NC 62a_100000741757_100000188475 [0,2,0,0,0,0|1,0,1]=4 11892 B13R0.87 CCOC(=O)CSCCCC(=O)OC 62a_100000188475_100011218270 [0,2,0,0,0,0|1,0,1]=4 11893 B13R0.87 CCOC(=O)CSCCCC(=O)OC 62a_100011218270_100000188475 [0,2,0,0,0,0|1,0,1]=4 11894 B13R0.87 CCOC(=O)CSCCCN(C)CC 62a_100000188475_100015186262 [0,2,0,0,0,0|1,0,0]=3 11895 B13R0.87 CCOC(=O)CSCCOC(C)C#N 7a_200000230590_100000703298 [0,2,0,0,0,0|2,0,0]=4 11896 B13R0.87 CCOC(=O)CSCCOC(C)CC 7a_200000230590_100000758301 [0,2,0,0,0,0|1,0,0]=3 11897 B13R0.87 CCOC(=O)CSCCOC(C)CO 7a_200000230590_100012180447 [0,2,0,0,0,0|2,0,0]=4 11898 B13R0.87 CCOC(=O)NCCOCC(C)CC 34a_100000158857_100000748023 [0,2,0,0,0,0|1,0,0]=3 11899 B13R0.87 CCOC(=O)NCCOCC(O)CC 34a_100000158857_100011218378 [0,2,0,0,0,0|1,0,0]=3 11900 B13R0.87 CCOC(=O)NCCOCC(O)CO 34a_100000158857_100011219619 [0,2,0,0,0,0|2,0,0]=4 11901 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 34a_100000158857_100009816398 [0,2,0,0,0,0|1,0,0]=3 11902 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 7a_100009816381_200011445536 [0,2,0,0,0,0|1,0,0]=3 11903 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CO 34a_100000158857_100000059175 [0,2,0,0,0,0|2,0,0]=4 11904 B13R0.87 CCOC(=O)NCCOC[C@@H](O)CF 34a_100000158857_100015614560 [0,2,0,0,0,0|2,0,0]=4 11905 B13R0.87 CCOC(=O)NCCOC[C@@H](O)CO 34a_100000158857_100009815848 [0,2,0,0,0,0|2,0,0]=4 11906 B13R0.87 CCOC(=O)NCCSCC(=O)CC 62a_100000747405_200011445536 [0,2,0,0,0,0|1,0,1]=4 11907 B13R0.87 CCOC(=O)NCCSCC(C)CC 62a_100000748023_200011445536 [0,2,0,0,0,0|1,0,0]=3 11908 B13R0.87 CCOC(=O)NCCSCC(O)CC 62a_100011218378_200011445536 [0,2,0,0,0,0|1,0,0]=3 11909 B13R0.87 CCOC(=O)NCCSCC(O)CO 62a_100011219619_200011445536 [0,2,0,0,0,0|2,0,0]=4 11910 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CC 62a_100009816398_200011445536 [0,2,0,0,0,0|1,0,0]=3 11911 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CO 62a_100000059175_200011445536 [0,2,0,0,0,0|2,0,0]=4 11912 B13R0.87 CCOC(=O)NCCSC[C@@H](O)CF 62a_100015614560_200011445536 [0,2,0,0,0,0|2,0,0]=4 11913 B13R0.87 CCOC(=O)NCCSC[C@@H](O)CO 62a_100009815848_200011445536 [0,2,0,0,0,0|2,0,0]=4 11914 B13R0.88 C=C(Br)CCOCCCC(=O)OCC 34a_100009813270_100009991533 [0,2,0,0,0,0|0,0,2]=4 11915 B13R0.88 C=C(C)CCOCCCC(=O)OCC 34a_100000764851_100009991533 [0,2,0,0,0,0|0,0,1]=3 11916 B13R0.88 C=C(C)CCOCCCC(=O)OCC 7a_100012001163_100000730704 [0,2,0,0,0,0|0,0,1]=3 11917 B13R0.88 C=C(C)CCOCCNC(=O)OCC 34a_100000158857_100000730704 [0,2,0,0,0,0|1,0,1]=4 11918 B13R0.88 C=C(C)CCSCCCC(=O)OCC 62a_100000730704_100009991533 [0,2,0,0,0,0|0,0,1]=3 11919 B13R0.88 C=C(C)CCSCCCC(=O)OCC 62a_100009991533_100000730704 [0,2,0,0,0,0|0,0,1]=3 11920 B13R0.88 C=C(C)CCSCCNC(=O)OCC 62a_100000730704_200011445536 [0,2,0,0,0,0|1,0,1]=4 11921 B13R0.88 C=C(C)COCCCCC(=O)OCC 34a_100000210245_100000750268 [0,2,0,0,0,0|0,0,1]=3 11922 B13R0.88 C=C(C)COCCOCC(=O)OCC 34a_100000210245_100000088970 [0,2,0,0,0,0|1,0,1]=4 11923 B13R0.88 C=C(C)COCCSCC(=O)OCC 7a_200000230590_100000748629 [0,2,0,0,0,0|1,0,1]=4 11924 B13R0.88 C=C(C)CSCCCCC(=O)OCC 62a_100000748629_100000750268 [0,2,0,0,0,0|0,0,1]=3 11925 B13R0.88 C=C(C)CSCCCCC(=O)OCC 62a_100000750268_100000211660 [0,2,0,0,0,0|0,0,1]=3 11926 B13R0.88 C=C(C)CSCCOCC(=O)OCC 62a_100000088970_100000211660 [0,2,0,0,0,0|1,0,1]=4 11927 B13R0.88 C=C(C)CSCCOCC(=O)OCC 62a_100000748629_100000088970 [0,2,0,0,0,0|1,0,1]=4 11928 B13R0.88 C=C(F)COCCCCC(=O)OCC 34a_200010262243_100000750268 [0,2,0,0,0,0|0,0,2]=4 11929 B13R0.88 C=C(F)CSCCCCC(=O)OCC 62a_100000042424_100000750268 [0,2,0,0,0,0|0,0,2]=4 11930 B13R0.88 C=C(F)CSCCCCC(=O)OCC 62a_100000750268_100000042424 [0,2,0,0,0,0|0,0,2]=4 11931 B13R0.88 C=COC(=O)COCCCCC(C)C 34a_100011214890_100000036128 [0,2,0,0,0,0|0,0,2]=4 11932 B13R0.88 C=COC(=O)CSCCCCC(C)C 62a_100000036128_100011216152 [0,2,0,0,0,0|0,0,2]=4 11933 B13R0.88 C=COC(=O)CSCCCCC(C)C 62a_100011216152_100000036128 [0,2,0,0,0,0|0,0,2]=4 11934 B13R0.88 CC(C)CCCCCCC(=O)CCF 1458a_100000040743_100011217306 [0,2,0,0,0,0|2,0,0]=4 11935 B13R0.88 CC(C)CCCCCCC(=O)CCO 1458a_100000040743_100000211926 [0,2,0,0,0,0|2,0,0]=4 11936 B13R0.88 CC(C)CCCCCNC(=O)CCO 240690a_100011290863_100011216618 [0,2,0,0,0,0|2,0,0]=4 11937 B13R0.88 CC(C)CCCCOCC(=O)NCO 34a_100011214890_100000185155 [0,2,0,0,0,0|2,0,0]=4 11938 B13R0.88 CC(C)CCCCOCC(=O)NCO 7a_100011214890_100000185155 [0,2,0,0,0,0|2,0,0]=4 11939 B13R0.88 CC(C)CCCCSCC(=O)NCO 62a_100000185155_100011216152 [0,2,0,0,0,0|2,0,0]=4 11940 B13R0.88 CC(C)CCCCSCC(=O)NCO 62a_100011216152_100000185155 [0,2,0,0,0,0|2,0,0]=4 11941 B13R0.88 CC=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000210699 [0,2,0,0,0,0|1,0,1]=4 11942 B13R0.88 CC=CC(=O)NCCCCCC(C)C 240690a_100011290863_100000210699 [0,2,0,0,0,0|1,0,1]=4 11943 B13R0.88 CCCC(=O)CCCC/C=C/C(C)C 1458a_200016995844_100000210303 [0,2,0,0,0,0|1,0,1]=4 11944 B13R0.88 CCCC(=O)CCCCCCB(O)O 1458a_100000211992_100009817187 [0,2,0,0,0,0|2,0,0]=4 11945 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [0,2,0,0,0,0|1,0,0]=3 11946 B13R0.88 CCCC(=O)CCCCCNC(=O)C 1458a_100000183861_100000210303 [0,2,0,0,0,0|1,0,1]=4 11947 B13R0.88 CCCC(=O)CCCCCOC(=O)C 1458a_100000211992_100000033007 [0,2,0,0,0,0|1,0,1]=4 11948 B13R0.88 CCCC(=O)CNCCCOC(C)C 2230a_100000737246_100000747444 [0,2,0,0,0,0|2,0,0]=4 11949 B13R0.88 CCCC(=O)COCCCCC(C)C 7a_100011214890_100000747444 [0,2,0,0,0,0|1,0,0]=3 11950 B13R0.88 CCCC(=O)COCCOCC(C)C 7a_100000703358_100000747444 [0,2,0,0,0,0|2,0,0]=4 11951 B13R0.88 CCCC(=O)COCCSCC(C)C 7a_200000230437_100000747444 [0,2,0,0,0,0|2,0,0]=4 11952 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000735457_100000747444 [0,2,0,0,0,0|1,0,1]=4 11953 B13R0.88 CCCC(=O)CSCCCCC(=O)C 62a_100000747444_100000735457 [0,2,0,0,0,0|1,0,1]=4 11954 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100000747444_100011216152 [0,2,0,0,0,0|1,0,0]=3 11955 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100011216152_100000747444 [0,2,0,0,0,0|1,0,0]=3 11956 B13R0.88 CCCC(=O)CSCCCCN(C)C 62a_100000747444_100000690147 [0,2,0,0,0,0|2,0,0]=4 11957 B13R0.88 CCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211992 [0,2,0,0,0,0|1,0,0]=3 11958 B13R0.88 CCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211992 [0,2,0,0,0,0|1,0,0]=3 11959 B13R0.88 CCCC(=O)NCCCCCC(C)C 527a_100011290863_100000211992 [0,2,0,0,0,0|1,0,0]=3 11960 B13R0.88 CCCC(=O)NCCCCCN(C)C 240690a_100020635752_100000211992 [0,2,0,0,0,0|2,0,0]=4 11961 B13R0.88 CCCC(=O)NCCCOCC(C)C 11a_100000205972_100000211992 [0,2,0,0,0,0|2,0,0]=4 11962 B13R0.88 CCCC(=O)NCCCOCC(C)C 1626a_100000205972_100000211992 [0,2,0,0,0,0|2,0,0]=4 11963 B13R0.88 CCCC(=O)NCCCOCC(C)C 240690a_100000205972_100000211992 [0,2,0,0,0,0|2,0,0]=4 11964 B13R0.88 CCCC(=O)NCCCOCC(C)C 527a_100000205972_100000211992 [0,2,0,0,0,0|2,0,0]=4 11965 B13R0.88 CCCC(=O)OCNCCCC(C)C 2230a_200000737386_100000034017 [0,2,0,0,0,0|2,0,0]=4 11966 B13R0.88 CCCC(=O)OCNCCCC(C)C 34a_200000737386_100000034017 [0,2,0,0,0,0|2,0,0]=4 11967 B13R0.88 CCCC(=O)OCOCCCC(C)C 34a_100000210774_100000034017 [0,2,0,0,0,0|2,0,0]=4 11968 B13R0.88 CCCC(=O)OCSCCCC(C)C 62a_100011214892_100000034017 [0,2,0,0,0,0|2,0,0]=4 11969 B13R0.88 CCCC(=O)OCSCCCC(C)O 62a_200000718107_100000034017 [0,2,0,0,0,0|2,0,0]=4 11970 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 11a_100015525214_200016995844 [0,2,0,0,0,0|1,0,1]=4 11971 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 240690a_100015525214_200016995844 [0,2,0,0,0,0|1,0,1]=4 11972 B13R0.88 CCNC(=O)CCCC/C=C/C(C)C 527a_100015525214_200016995844 [0,2,0,0,0,0|1,0,1]=4 11973 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [0,2,0,0,0,0|1,0,0]=3 11974 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [0,2,0,0,0,0|1,0,0]=3 11975 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [0,2,0,0,0,0|1,0,0]=3 11976 B13R0.88 CCNC(=O)CCCCCNC(=O)C 11a_100015525214_100000183861 [0,2,0,0,0,0|1,0,1]=4 11977 B13R0.88 CCNC(=O)CCCCCNC(=O)C 240690a_100015525214_100000183861 [0,2,0,0,0,0|1,0,1]=4 11978 B13R0.88 CCNC(=O)CCNCCCC(=O)C 34a_100025743525_100000685027 [0,2,0,0,0,0|1,0,1]=4 11979 B13R0.88 CCNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737597 [0,2,0,0,0,0|1,0,0]=3 11980 B13R0.88 CCNC(=O)CCNCCCC(C)C 34a_100025743525_100011214892 [0,2,0,0,0,0|1,0,0]=3 11981 B13R0.88 CCNC(=O)CCNCCCC(C)O 34a_100025743525_200000718107 [0,2,0,0,0,0|1,0,0]=3 11982 B13R0.88 CCNC(=O)CCNCCCS(=O)C 2230a_200000753449_100000737597 [0,2,0,0,0,0|2,0,0]=4 11983 B13R0.88 CCNC(=O)CCNCCOC(C)C 2230a_100000701111_100000737597 [0,2,0,0,0,0|2,0,0]=4 11984 B13R0.88 CCNC(=O)CCNCCOC(C)C 34a_100025743525_100000211751 [0,2,0,0,0,0|2,0,0]=4 11985 B13R0.88 CCNC(=O)CCNCCSC(C)C 2230a_100000731138_100000737597 [0,2,0,0,0,0|2,0,0]=4 11986 B13R0.88 CCNC(=O)CCNCCSC(C)C 34a_100025743525_100000730970 [0,2,0,0,0,0|2,0,0]=4 11987 B13R0.88 CCNC(=O)CCOCCCC(=O)C 7a_100000759063_100000737597 [0,2,0,0,0,0|1,0,1]=4 11988 B13R0.88 CCNC(=O)CCOCCCC(C)C 7a_100000210774_100000737597 [0,2,0,0,0,0|1,0,0]=3 11989 B13R0.88 CCNC(=O)CCOCCOC(C)C 7a_100000211219_100000737597 [0,2,0,0,0,0|2,0,0]=4 11990 B13R0.88 CCNC(=O)CCOCCSC(C)C 7a_200011212901_100000737597 [0,2,0,0,0,0|2,0,0]=4 11991 B13R0.88 CCNC(=O)CCSCCCC(=O)C 62a_100000737597_100011215641 [0,2,0,0,0,0|1,0,1]=4 11992 B13R0.88 CCNC(=O)CCSCCCC(=O)C 62a_100011215641_100000737597 [0,2,0,0,0,0|1,0,1]=4 11993 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100000737597_100011214892 [0,2,0,0,0,0|1,0,0]=3 11994 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100011214892_100000737597 [0,2,0,0,0,0|1,0,0]=3 11995 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_100000737597_200000718107 [0,2,0,0,0,0|1,0,0]=3 11996 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_200000718107_100000737597 [0,2,0,0,0,0|1,0,0]=3 11997 B13R0.88 CCNC(=O)CCSCCCN(C)C 62a_100000737597_100000757444 [0,2,0,0,0,0|2,0,0]=4 11998 B13R0.88 CCNC(=O)CCSCCOC(C)C 62a_100000211751_100000737597 [0,2,0,0,0,0|2,0,0]=4 11999 B13R0.88 CCNC(=O)CCSCCOC(C)C 62a_100000737597_100000211751 [0,2,0,0,0,0|2,0,0]=4 12000 B13R0.88 CCNC(=O)CCSCCSC(C)C 62a_100000730970_100000737597 [0,2,0,0,0,0|2,0,0]=4 12001 B13R0.88 CCNC(=O)CCSCCSC(C)C 62a_100000737597_100000730970 [0,2,0,0,0,0|2,0,0]=4 12002 B13R0.88 CCNC(=O)CNCCCCC(C)C 2230a_100016988866_100011216152 [0,2,0,0,0,0|1,0,0]=3 12003 B13R0.88 CCNC(=O)CNCCCOC(C)C 2230a_100000737246_100000183381 [0,2,0,0,0,0|2,0,0]=4 12004 B13R0.88 CCNC(=O)CNCCCOC(C)C 34a_100000737246_100000183381 [0,2,0,0,0,0|2,0,0]=4 12005 B13R0.88 CCNC(=O)COCCCCC(C)C 34a_100011214890_100000183381 [0,2,0,0,0,0|1,0,0]=3 12006 B13R0.88 CCNC(=O)COCCCCC(C)C 7a_100011214890_100000183381 [0,2,0,0,0,0|1,0,0]=3 12007 B13R0.88 CCNC(=O)COCCCNC(C)C 34a_100000182298_100000183381 [0,2,0,0,0,0|2,0,0]=4 12008 B13R0.88 CCNC(=O)COCCNCC(C)C 34a_100015185251_100000183381 [0,2,0,0,0,0|2,0,0]=4 12009 B13R0.88 CCNC(=O)COCCOCC(C)C 34a_100000703358_100000183381 [0,2,0,0,0,0|2,0,0]=4 12010 B13R0.88 CCNC(=O)COCCOCC(C)C 7a_100000703358_100000183381 [0,2,0,0,0,0|2,0,0]=4 12011 B13R0.88 CCNC(=O)COCCSCC(C)C 34a_200000230437_100000183381 [0,2,0,0,0,0|2,0,0]=4 12012 B13R0.88 CCNC(=O)COCCSCC(C)C 7a_200000230437_100000183381 [0,2,0,0,0,0|2,0,0]=4 12013 B13R0.88 CCNC(=O)CSCCCCC(=O)C 62a_100000183381_100000735457 [0,2,0,0,0,0|1,0,1]=4 12014 B13R0.88 CCNC(=O)CSCCCCC(=O)C 62a_100000735457_100000183381 [0,2,0,0,0,0|1,0,1]=4 12015 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100000183381_100011216152 [0,2,0,0,0,0|1,0,0]=3 12016 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100011216152_100000183381 [0,2,0,0,0,0|1,0,0]=3 12017 B13R0.88 CCNC(=O)CSCCCCN(C)C 62a_100000183381_100000690147 [0,2,0,0,0,0|2,0,0]=4 12018 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100011290863_100015525214 [0,2,0,0,0,0|1,0,0]=3 12019 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100015525214_100011290863 [0,2,0,0,0,0|1,0,0]=3 12020 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100011290863_100015525214 [0,2,0,0,0,0|1,0,0]=3 12021 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100015525214_100011290863 [0,2,0,0,0,0|1,0,0]=3 12022 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100011290863_100015525214 [0,2,0,0,0,0|1,0,0]=3 12023 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100015525214_100011290863 [0,2,0,0,0,0|1,0,0]=3 12024 B13R0.88 CCNC(=O)NCCCCCN(C)C 2708a_100015525214_100020635752 [0,2,0,0,0,0|2,0,0]=4 12025 B13R0.88 CCNC(=O)NCCCCCN(C)C 2708a_100020635752_100015525214 [0,2,0,0,0,0|2,0,0]=4 12026 B13R0.88 CCNC(=O)NCCCCCN(C)C 273464a_100015525214_100020635752 [0,2,0,0,0,0|2,0,0]=4 12027 B13R0.88 CCNC(=O)NCCCCCN(C)C 273464a_100020635752_100015525214 [0,2,0,0,0,0|2,0,0]=4 12028 B13R0.88 CCNC(=O)NCCCCCN(C)C 512a_100015525214_100020635752 [0,2,0,0,0,0|2,0,0]=4 12029 B13R0.88 CCNC(=O)NCCCCCN(C)C 512a_100020635752_100015525214 [0,2,0,0,0,0|2,0,0]=4 12030 B13R0.88 CCNC(=O)NCCCOCC(C)C 2708a_100000205972_100015525214 [0,2,0,0,0,0|2,0,0]=4 12031 B13R0.88 CCNC(=O)NCCCOCC(C)C 2708a_100015525214_100000205972 [0,2,0,0,0,0|2,0,0]=4 12032 B13R0.88 CCNC(=O)NCCCOCC(C)C 273464a_100000205972_100015525214 [0,2,0,0,0,0|2,0,0]=4 12033 B13R0.88 CCNC(=O)NCCCOCC(C)C 273464a_100015525214_100000205972 [0,2,0,0,0,0|2,0,0]=4 12034 B13R0.88 CCNC(=O)NCCCOCC(C)C 512a_100000205972_100015525214 [0,2,0,0,0,0|2,0,0]=4 12035 B13R0.88 CCNC(=O)NCCCOCC(C)C 512a_100015525214_100000205972 [0,2,0,0,0,0|2,0,0]=4 12036 B13R0.88 CCOC(=O)/C=C/CNCCC(C)O 2230a_200000755665_100016267167 [0,2,0,0,0,0|0,0,2]=4 12037 B13R0.88 CCOC(=O)/C=C/COCCC(C)Br 34a_100009893172_100016267167 [0,2,0,0,0,0|0,0,2]=4 12038 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 34a_100000210254_100016267167 [0,2,0,0,0,0|0,0,2]=4 12039 B13R0.88 CCOC(=O)/C=C/COCCC(C)C 7a_100000210254_100016267167 [0,2,0,0,0,0|0,0,2]=4 12040 B13R0.88 CCOC(=O)/C=C/COCC[C@@H](C)N 34a_100000706166_100016267167 [0,2,0,0,0,0|0,0,2]=4 12041 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100000210312_100016267167 [0,2,0,0,0,0|0,0,2]=4 12042 B13R0.88 CCOC(=O)/C=C/CSCCC(C)C 62a_100016267167_100000210312 [0,2,0,0,0,0|0,0,2]=4 12043 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100012276601_100016267167 [0,2,0,0,0,0|0,0,2]=4 12044 B13R0.88 CCOC(=O)/C=C/CSCCC(C)O 62a_100016267167_100012276601 [0,2,0,0,0,0|0,0,2]=4 12045 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [0,2,0,0,0,0|0,0,0]=2 12046 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [0,2,0,0,0,0|0,0,0]=2 12047 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [0,2,0,0,0,0|0,0,0]=2 12048 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [0,2,0,0,0,0|0,0,0]=2 12049 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [0,2,0,0,0,0|0,0,0]=2 12050 B13R0.88 CCOC(=O)CCCCCNC(=O)C 188690a_100000062434_100015343762 [0,2,0,0,0,0|0,0,1]=3 12051 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [0,2,0,0,0,0|0,0,0]=2 12052 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [0,2,0,0,0,0|0,0,0]=2 12053 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [0,2,0,0,0,0|0,0,0]=2 12054 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [0,2,0,0,0,0|0,0,0]=2 12055 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [0,2,0,0,0,0|0,0,0]=2 12056 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [0,2,0,0,0,0|0,0,0]=2 12057 B13R0.88 CCOC(=O)CCCCNCC(=O)N 2230a_100000711301_100000750268 [0,2,0,0,0,0|1,0,1]=4 12058 B13R0.88 CCOC(=O)CCCCNCC(=O)O 269956a_100016091260_100000750268 [0,2,0,0,0,0|1,0,1]=4 12059 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [0,2,0,0,0,0|0,0,0]=2 12060 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [0,2,0,0,0,0|0,0,0]=2 12061 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [0,2,0,0,0,0|0,0,0]=2 12062 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [0,2,0,0,0,0|0,0,0]=2 12063 B13R0.88 CCOC(=O)CCCCNCC(F)F 34a_100000765723_100000750268 [0,2,0,0,0,0|1,0,0]=3 12064 B13R0.88 CCOC(=O)CCCCOCC(=O)C 34a_100000211253_100000750268 [0,2,0,0,0,0|0,0,1]=3 12065 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [0,2,0,0,0,0|0,0,0]=2 12066 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [0,2,0,0,0,0|0,0,0]=2 12067 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [0,2,0,0,0,0|0,0,0]=2 12068 B13R0.88 CCOC(=O)CCCCOCC(F)F 34a_100000743014_100000750268 [0,2,0,0,0,0|1,0,0]=3 12069 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [0,2,0,0,0,0|0,0,0]=2 12070 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [0,2,0,0,0,0|0,0,0]=2 12071 B13R0.88 CCOC(=O)CCCCSCC(=O)N 62a_100000747473_100000750268 [0,2,0,0,0,0|1,0,1]=4 12072 B13R0.88 CCOC(=O)CCCCSCC(=O)N 62a_100000750268_100000747473 [0,2,0,0,0,0|1,0,1]=4 12073 B13R0.88 CCOC(=O)CCCCSCC(=O)[O-] 62a_100000750268_100020667443 [0,2,0,0,0,0|1,0,1]=4 12074 B13R0.88 CCOC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000750268 [0,2,0,0,0,0|1,0,1]=4 12075 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [0,2,0,0,0,0|0,0,0]=2 12076 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [0,2,0,0,0,0|0,0,0]=2 12077 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [0,2,0,0,0,0|0,0,0]=2 12078 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [0,2,0,0,0,0|0,0,0]=2 12079 B13R0.88 CCOC(=O)CCCCSCC(F)F 62a_100000750268_100011934356 [0,2,0,0,0,0|1,0,0]=3 12080 B13R0.88 CCOC(=O)CCCCSCC(F)F 62a_100011934356_100000750268 [0,2,0,0,0,0|1,0,0]=3 12081 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [0,2,0,0,0,0|0,0,0]=2 12082 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [0,2,0,0,0,0|0,0,0]=2 12083 B13R0.88 CCOC(=O)CCCCSC[N+](=O)[O-] 62a_100000750268_100000761209 [0,2,0,0,0,0|2,0,0]=4 12084 B13R0.88 CCOC(=O)CCCNCC=C(C)C 34a_100000718196_100009991533 [0,2,0,0,0,0|0,0,2]=4 12085 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [0,2,0,0,0,0|0,0,0]=2 12086 B13R0.88 CCOC(=O)CCCOCC=C(C)C 34a_100000753907_100009991533 [0,2,0,0,0,0|0,0,2]=4 12087 B13R0.88 CCOC(=O)CCCOCC=C(C)C 7a_100012001163_100000761012 [0,2,0,0,0,0|0,0,2]=4 12088 B13R0.88 CCOC(=O)CCCOCCC(=O)C 34a_100000759926_100009991533 [0,2,0,0,0,0|0,0,1]=3 12089 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100000759926_100011215271 [0,2,0,0,0,0|0,0,1]=3 12090 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100012001163_100000053229 [0,2,0,0,0,0|0,0,1]=3 12091 B13R0.88 CCOC(=O)CCCOCCC(=O)N 34a_100000757172_100009991533 [0,2,0,0,0,0|1,0,1]=4 12092 B13R0.88 CCOC(=O)CCCOCCC(=O)N 7a_100000757172_100011215271 [0,2,0,0,0,0|1,0,1]=4 12093 B13R0.88 CCOC(=O)CCCOCCC(=O)N 7a_100012001163_100000744528 [0,2,0,0,0,0|1,0,1]=4 12094 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [0,2,0,0,0,0|0,0,0]=2 12095 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [0,2,0,0,0,0|0,0,0]=2 12096 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [0,2,0,0,0,0|0,0,0]=2 12097 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [0,2,0,0,0,0|0,0,0]=2 12098 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [0,2,0,0,0,0|0,0,0]=2 12099 B13R0.88 CCOC(=O)CCCOCCC(F)F 34a_100103093639_100009991533 [0,2,0,0,0,0|1,0,0]=3 12100 B13R0.88 CCOC(=O)CCCOCCN(C)C 7a_100012001163_100000755713 [0,2,0,0,0,0|1,0,0]=3 12101 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [0,2,0,0,0,0|0,0,0]=2 12102 B13R0.88 CCOC(=O)CCCSCC=C(C)C 62a_100000761012_100009991533 [0,2,0,0,0,0|0,0,2]=4 12103 B13R0.88 CCOC(=O)CCCSCC=C(C)C 62a_100009991533_100000761012 [0,2,0,0,0,0|0,0,2]=4 12104 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100000053229_100009991533 [0,2,0,0,0,0|0,0,1]=3 12105 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100009991533_100000053229 [0,2,0,0,0,0|0,0,1]=3 12106 B13R0.88 CCOC(=O)CCCSCCC(=O)N 62a_100000744528_100009991533 [0,2,0,0,0,0|1,0,1]=4 12107 B13R0.88 CCOC(=O)CCCSCCC(=O)N 62a_100009991533_100000744528 [0,2,0,0,0,0|1,0,1]=4 12108 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [0,2,0,0,0,0|0,0,0]=2 12109 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [0,2,0,0,0,0|0,0,0]=2 12110 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [0,2,0,0,0,0|0,0,0]=2 12111 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [0,2,0,0,0,0|0,0,0]=2 12112 B13R0.88 CCOC(=O)CCCSCCN(C)C 62a_100009991533_100000755713 [0,2,0,0,0,0|1,0,0]=3 12113 B13R0.88 CCOC(=O)CCCSCOC(=O)C 62a_100000076356_100009991533 [0,2,0,0,0,0|1,0,1]=4 12114 B13R0.88 CCOC(=O)CCCSCOC(=O)C 62a_100009991533_100000076356 [0,2,0,0,0,0|1,0,1]=4 12115 B13R0.88 CCOC(=O)CCCSCOC(C)C 62a_100000709892_100009991533 [0,2,0,0,0,0|1,0,0]=3 12116 B13R0.88 CCOC(=O)CCCSCOC(C)C 62a_100009991533_100000709892 [0,2,0,0,0,0|1,0,0]=3 12117 B13R0.88 CCOC(=O)CCNCCCC(=O)N 34a_100000739312_100000765890 [0,2,0,0,0,0|1,0,1]=4 12118 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [0,2,0,0,0,0|0,0,0]=2 12119 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [0,2,0,0,0,0|0,0,0]=2 12120 B13R0.88 CCOC(=O)CCNCCCS(=O)C 2230a_200000753449_100011206558 [0,2,0,0,0,0|1,0,0]=3 12121 B13R0.88 CCOC(=O)CCNCCNC(=O)C 2230a_100000209853_100011206558 [0,2,0,0,0,0|1,0,1]=4 12122 B13R0.88 CCOC(=O)CCNCCOC(C)C 2230a_100000701111_100011206558 [0,2,0,0,0,0|1,0,0]=3 12123 B13R0.88 CCOC(=O)CCNCCOC(C)C 34a_100000701111_100000765890 [0,2,0,0,0,0|1,0,0]=3 12124 B13R0.88 CCOC(=O)CCNCCSC(C)C 2230a_100000731138_100011206558 [0,2,0,0,0,0|1,0,0]=3 12125 B13R0.88 CCOC(=O)CCNCCSC(C)C 34a_100000731138_100000765890 [0,2,0,0,0,0|1,0,0]=3 12126 B13R0.88 CCOC(=O)CCOCCCC(=O)C 34a_100000759063_100000765890 [0,2,0,0,0,0|0,0,1]=3 12127 B13R0.88 CCOC(=O)CCOCCCC(=O)C 7a_100000759063_100011206558 [0,2,0,0,0,0|0,0,1]=3 12128 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [0,2,0,0,0,0|0,0,0]=2 12129 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [0,2,0,0,0,0|0,0,0]=2 12130 B13R0.88 CCOC(=O)CCOCCC[N+](=O)[O-] 34a_200000037920_100000765890 [0,2,0,0,0,0|2,0,0]=4 12131 B13R0.88 CCOC(=O)CCOCCNC(=O)C 34a_100000158858_100000765890 [0,2,0,0,0,0|1,0,1]=4 12132 B13R0.88 CCOC(=O)CCOCCNC(C)C 34a_100000224655_100000765890 [0,2,0,0,0,0|1,0,0]=3 12133 B13R0.88 CCOC(=O)CCOCCOC(C)C 34a_100000211219_100000765890 [0,2,0,0,0,0|1,0,0]=3 12134 B13R0.88 CCOC(=O)CCOCCOC(C)C 7a_100000211219_100011206558 [0,2,0,0,0,0|1,0,0]=3 12135 B13R0.88 CCOC(=O)CCOCCSC(C)C 34a_200011212901_100000765890 [0,2,0,0,0,0|1,0,0]=3 12136 B13R0.88 CCOC(=O)CCOCCSC(C)C 7a_200011212901_100011206558 [0,2,0,0,0,0|1,0,0]=3 12137 B13R0.88 CCOC(=O)CCSCCC=C(C)C 62a_100000765890_100011217483 [0,2,0,0,0,0|0,0,2]=4 12138 B13R0.88 CCOC(=O)CCSCCC=C(C)C 62a_100011217483_100000765890 [0,2,0,0,0,0|0,0,2]=4 12139 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100000765890_100011215641 [0,2,0,0,0,0|0,0,1]=3 12140 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100011215641_100000765890 [0,2,0,0,0,0|0,0,1]=3 12141 B13R0.88 CCOC(=O)CCSCCCC(=O)N 62a_100000765890_100102525003 [0,2,0,0,0,0|1,0,1]=4 12142 B13R0.88 CCOC(=O)CCSCCCC(=O)N 62a_100102525003_100000765890 [0,2,0,0,0,0|1,0,1]=4 12143 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [0,2,0,0,0,0|0,0,0]=2 12144 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [0,2,0,0,0,0|0,0,0]=2 12145 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [0,2,0,0,0,0|0,0,0]=2 12146 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [0,2,0,0,0,0|0,0,0]=2 12147 B13R0.88 CCOC(=O)CCSCCCN(C)C 62a_100000765890_100000757444 [0,2,0,0,0,0|1,0,0]=3 12148 B13R0.88 CCOC(=O)CCSCCNC(=O)C 62a_100000189650_100000765890 [0,2,0,0,0,0|1,0,1]=4 12149 B13R0.88 CCOC(=O)CCSCCNC(=O)C 62a_100000765890_100000189650 [0,2,0,0,0,0|1,0,1]=4 12150 B13R0.88 CCOC(=O)CCSCCOC(=O)C 62a_100000765890_100009814007 [0,2,0,0,0,0|1,0,1]=4 12151 B13R0.88 CCOC(=O)CCSCCOC(=O)C 62a_100009814007_100000765890 [0,2,0,0,0,0|1,0,1]=4 12152 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000211751_100000765890 [0,2,0,0,0,0|1,0,0]=3 12153 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000765890_100000211751 [0,2,0,0,0,0|1,0,0]=3 12154 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000730970_100000765890 [0,2,0,0,0,0|1,0,0]=3 12155 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000765890_100000730970 [0,2,0,0,0,0|1,0,0]=3 12156 B13R0.88 CCOC(=O)CNCCCCC(=O)N 34a_100000696515_100000188475 [0,2,0,0,0,0|1,0,1]=4 12157 B13R0.88 CCOC(=O)CNCCCNC(=O)C 34a_100000736810_100000188475 [0,2,0,0,0,0|1,0,1]=4 12158 B13R0.88 CCOC(=O)CNCCCOC(C)C 2230a_100000737246_100000188475 [0,2,0,0,0,0|1,0,0]=3 12159 B13R0.88 CCOC(=O)CNCCCOC(C)C 34a_100000737246_100000188475 [0,2,0,0,0,0|1,0,0]=3 12160 B13R0.88 CCOC(=O)COCCCCC(=O)N 34a_100012022536_100000188475 [0,2,0,0,0,0|1,0,1]=4 12161 B13R0.88 CCOC(=O)COCCCCC(=O)N 7a_100012022536_100000188475 [0,2,0,0,0,0|1,0,1]=4 12162 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [0,2,0,0,0,0|0,0,0]=2 12163 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [0,2,0,0,0,0|0,0,0]=2 12164 B13R0.88 CCOC(=O)COCCCC[N+](=O)[O-] 34a_200015379883_100000188475 [0,2,0,0,0,0|2,0,0]=4 12165 B13R0.88 CCOC(=O)COCCCC[N+](=O)[O-] 7a_200015379883_100000188475 [0,2,0,0,0,0|2,0,0]=4 12166 B13R0.88 CCOC(=O)COCCCNC(=O)C 34a_100000752032_100000188475 [0,2,0,0,0,0|1,0,1]=4 12167 B13R0.88 CCOC(=O)COCCCNC(C)C 2230a_100138425928_100009893628 [0,2,0,0,0,0|1,0,0]=3 12168 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100000182298_100000188475 [0,2,0,0,0,0|1,0,0]=3 12169 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100138425928_100009893628 [0,2,0,0,0,0|1,0,0]=3 12170 B13R0.88 CCOC(=O)COCCCOC(C)C 34a_100000212225_100009893628 [0,2,0,0,0,0|1,0,0]=3 12171 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100000210206_100009893628 [0,2,0,0,0,0|1,0,0]=3 12172 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100009893628_100000210206 [0,2,0,0,0,0|1,0,0]=3 12173 B13R0.88 CCOC(=O)COCCNCC(C)C 2230a_100000210953_100000088970 [0,2,0,0,0,0|1,0,0]=3 12174 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100000210953_100000088970 [0,2,0,0,0,0|1,0,0]=3 12175 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100015185251_100000188475 [0,2,0,0,0,0|1,0,0]=3 12176 B13R0.88 CCOC(=O)COCCNCC(C)O 2230a_100000210904_100000088970 [0,2,0,0,0,0|1,0,0]=3 12177 B13R0.88 CCOC(=O)COCCNCC(C)O 34a_100000210904_100000088970 [0,2,0,0,0,0|1,0,0]=3 12178 B13R0.88 CCOC(=O)COCCNCC(F)F 34a_100000765723_100000088970 [0,2,0,0,0,0|2,0,0]=4 12179 B13R0.88 CCOC(=O)COCCOCC(=O)C 34a_100000211253_100000088970 [0,2,0,0,0,0|1,0,1]=4 12180 B13R0.88 CCOC(=O)COCCOCC(C)Br 34a_100012180447_100000088970 [0,2,0,0,0,0|1,0,0]=3 12181 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000210257_100000088970 [0,2,0,0,0,0|1,0,0]=3 12182 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000703358_100000188475 [0,2,0,0,0,0|1,0,0]=3 12183 B13R0.88 CCOC(=O)COCCOCC(C)C 7a_100000703358_100000188475 [0,2,0,0,0,0|1,0,0]=3 12184 B13R0.88 CCOC(=O)COCCOCC(C)F 34a_100015925927_100000088970 [0,2,0,0,0,0|1,0,0]=3 12185 B13R0.88 CCOC(=O)COCCOCC(F)F 34a_100000704375_100000188475 [0,2,0,0,0,0|2,0,0]=4 12186 B13R0.88 CCOC(=O)COCCOCC(F)F 34a_100000743014_100000088970 [0,2,0,0,0,0|2,0,0]=4 12187 B13R0.88 CCOC(=O)COCCOCC(F)F 7a_100000704375_100000188475 [0,2,0,0,0,0|2,0,0]=4 12188 B13R0.88 CCOC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000088970 [0,2,0,0,0,0|1,0,0]=3 12189 B13R0.88 CCOC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000088970 [0,2,0,0,0,0|1,0,0]=3 12190 B13R0.88 CCOC(=O)COCCSCC(C)C 34a_200000230437_100000188475 [0,2,0,0,0,0|1,0,0]=3 12191 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000088970_100000210760 [0,2,0,0,0,0|1,0,0]=3 12192 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000210624_100000088970 [0,2,0,0,0,0|1,0,0]=3 12193 B13R0.88 CCOC(=O)COCCSCC(C)C 7a_200000230437_100000188475 [0,2,0,0,0,0|1,0,0]=3 12194 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100000088970_100011218427 [0,2,0,0,0,0|1,0,0]=3 12195 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100011218427_100000088970 [0,2,0,0,0,0|1,0,0]=3 12196 B13R0.88 CCOC(=O)COCCSCC(F)F 62a_100000088970_100011934356 [0,2,0,0,0,0|2,0,0]=4 12197 B13R0.88 CCOC(=O)COCCSCC(F)F 62a_100011934356_100000088970 [0,2,0,0,0,0|2,0,0]=4 12198 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100000088970_100009817552 [0,2,0,0,0,0|1,0,0]=3 12199 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000088970 [0,2,0,0,0,0|1,0,0]=3 12200 B13R0.88 CCOC(=O)CSCCCCB(O)O 62a_100000188475_200009817182 [0,2,0,0,0,0|2,0,0]=4 12201 B13R0.88 CCOC(=O)CSCCCCB(O)O 62a_200009817182_100000188475 [0,2,0,0,0,0|2,0,0]=4 12202 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000188475_100000735457 [0,2,0,0,0,0|0,0,1]=3 12203 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000735457_100000188475 [0,2,0,0,0,0|0,0,1]=3 12204 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [0,2,0,0,0,0|0,0,0]=2 12205 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [0,2,0,0,0,0|0,0,0]=2 12206 B13R0.88 CCOC(=O)CSCCCCN(C)C 62a_100000188475_100000690147 [0,2,0,0,0,0|1,0,0]=3 12207 B13R0.88 CCOC(=O)CSCCCOC(=O)C 62a_100000042594_100000188475 [0,2,0,0,0,0|1,0,1]=4 12208 B13R0.88 CCOC(=O)CSCCCOC(=O)C 62a_100000188475_100000042594 [0,2,0,0,0,0|1,0,1]=4 12209 B13R0.88 CCOC(=O)CSCCCOC(=S)C 62a_100000188475_200135323944 [0,2,0,0,0,0|1,0,1]=4 12210 B13R0.88 CCOC(=O)CSCCCOC(=S)C 62a_200135323944_100000188475 [0,2,0,0,0,0|1,0,1]=4 12211 B13R0.88 CCOC(=O)CSCCCSC(=O)C 62a_100000038929_100000188475 [0,2,0,0,0,0|1,0,1]=4 12212 B13R0.88 CCOC(=O)CSCCCSC(=O)C 62a_100000188475_100000038929 [0,2,0,0,0,0|1,0,1]=4 12213 B13R0.88 CCOC(=O)CSCCOCC(C)C 7a_200000230590_100000210760 [0,2,0,0,0,0|1,0,0]=3 12214 B13R0.88 CCOC(=O)CSCCOCC(C)O 7a_200000230590_100011218427 [0,2,0,0,0,0|1,0,0]=3 12215 B13R0.88 CCOC(=O)CSCCOCC(F)F 62a_100000188475_200012177212 [0,2,0,0,0,0|2,0,0]=4 12216 B13R0.88 CCOC(=O)CSCCOCC(F)F 62a_200012177212_100000188475 [0,2,0,0,0,0|2,0,0]=4 12217 B13R0.88 CCOC(=O)CSCCOCC(F)F 7a_200000230590_100011934356 [0,2,0,0,0,0|2,0,0]=4 12218 B13R0.88 CCOC(=O)CSCCOC[C@@H](C)O 7a_200000230590_100009817552 [0,2,0,0,0,0|1,0,0]=3 12219 B13R0.88 CCOC(=O)NCCOCCC(=O)C 7a_100000759926_200011445536 [0,2,0,0,0,0|1,0,1]=4 12220 B13R0.88 CCOC(=O)NCCOCCC(C)C 34a_100000158857_100000210312 [0,2,0,0,0,0|1,0,0]=3 12221 B13R0.88 CCOC(=O)NCCOCCC(C)C 7a_100000210254_200011445536 [0,2,0,0,0,0|1,0,0]=3 12222 B13R0.88 CCOC(=O)NCCOCCC(C)O 34a_100000158857_100012276601 [0,2,0,0,0,0|1,0,0]=3 12223 B13R0.88 CCOC(=O)NCCOCOC(C)C 34a_100000158857_100000709892 [0,2,0,0,0,0|2,0,0]=4 12224 B13R0.88 CCOC(=O)NCCSCCC(=O)C 62a_100000053229_200011445536 [0,2,0,0,0,0|1,0,1]=4 12225 B13R0.88 CCOC(=O)NCCSCCC(C)C 62a_100000210312_200011445536 [0,2,0,0,0,0|1,0,0]=3 12226 B13R0.88 CCOC(=O)NCCSCCC(C)O 62a_100012276601_200011445536 [0,2,0,0,0,0|1,0,0]=3 12227 B13R0.88 CCOC(=O)NCCSCOC(C)C 62a_100000709892_200011445536 [0,2,0,0,0,0|2,0,0]=4 12228 B13R0.88 CCOC(=O)OCSCCCC(=O)C 62a_100011215641_100000075025 [0,2,0,0,0,0|1,0,1]=4 12229 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [0,2,0,0,0,0|1,0,0]=3 12230 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [0,2,0,0,0,0|1,0,0]=3 12231 B13R0.88 CCOC(=O)OCSCCOC(C)C 62a_100000211751_100000075025 [0,2,0,0,0,0|2,0,0]=4 12232 B13R0.88 CCOC(=O)OCSCCSC(C)C 62a_100000730970_100000075025 [0,2,0,0,0,0|2,0,0]=4 12233 B13R0.88 CNNC(=O)CCCCCCC(C)C 22a_100016993582_100000040743 [0,2,0,0,0,0|2,0,0]=4 12234 B13R0.88 CNNC(=O)NCCCCCC(C)C 273464a_100011290863_100016993582 [0,2,0,0,0,0|2,0,0]=4 12235 B13R0.88 CNNC(=O)NCCCCCC(C)C 512a_100011290863_100016993582 [0,2,0,0,0,0|2,0,0]=4 12236 B13R0.88 CNNC(=O)NCCCCCC(C)C 512a_100016993582_100011290863 [0,2,0,0,0,0|2,0,0]=4 12237 B13R0.88 COCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210968 [0,2,0,0,0,0|2,0,0]=4 12238 B13R0.88 COCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210968 [0,2,0,0,0,0|2,0,0]=4 12239 B13R0.88 COCC(=O)NCCCCCC(C)C 527a_100011290863_100000210968 [0,2,0,0,0,0|2,0,0]=4 12240 B13R0.88 CSCC(=O)NCCCCCC(C)C 1626a_100011290863_100000184570 [0,2,0,0,0,0|2,0,0]=4 12241 B13R0.88 CSCC(=O)NCCCCCC(C)C 240690a_100011290863_100000184570 [0,2,0,0,0,0|2,0,0]=4 12242 B13R0.88 CSCC(=O)NCCCCCC(C)C 527a_100011290863_100000184570 [0,2,0,0,0,0|2,0,0]=4 12243 B13R0.175 C#CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000753159 [0,2,0,0,0,0|0,0,2]=4 12244 B13R0.175 C#CCCC(=O)CCCC(=O)OCC 1458a_100000692101_100011215271 [0,2,0,0,0,0|0,0,2]=4 12245 B13R0.175 C/C=C/CC(=O)CCCC(=O)OCC 1458a_100000210991_100102629194 [0,2,0,0,0,0|0,0,2]=4 12246 B13R0.175 C=C(COCC(C)CCC)OCOC 34a_100000688023_100000042856 [0,2,0,0,0,0|2,0,0]=4 12247 B13R0.175 C=C(COC[C@@H](N)CCC)OCOC 34a_100000732646_100000042856 [0,2,0,0,0,0|2,0,0]=4 12248 B13R0.175 C=C(CSCC(C)CCC)OCOC 62a_100000042856_100011216630 [0,2,0,0,0,0|2,0,0]=4 12249 B13R0.175 C=C(CSCC(C)CCC)OCOC 62a_100011216630_100000042856 [0,2,0,0,0,0|2,0,0]=4 12250 B13R0.175 C=CCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000754431 [0,2,0,0,0,0|0,0,2]=4 12251 B13R0.175 C=CCCC(=O)CCCC(=O)OCC 1458a_100000749702_100011215271 [0,2,0,0,0,0|0,0,2]=4 12252 B13R0.175 C=CCCC(C)OCCC(=O)OCC 34a_100000765329_100000765890 [0,2,0,0,0,0|0,0,2]=4 12253 B13R0.175 C=CCCC(C)OCCC(=O)OCC 7a_100000765329_100011206558 [0,2,0,0,0,0|0,0,2]=4 12254 B13R0.175 C=CCCN(C)CCCC(=O)OCC 2230a_100020639649_100009991533 [0,2,0,0,0,0|0,0,2]=4 12255 B13R0.175 C=CCCN(C)CCCC(=O)OCC 269982a_100020639649_100009991533 [0,2,0,0,0,0|0,0,2]=4 12256 B13R0.175 C=CCOC(=O)COCC(C)CCC 34a_100000688023_100000033060 [0,2,0,0,0,0|1,0,1]=4 12257 B13R0.175 C=CCOC(=O)COCC(C)CCC 7a_100000688023_100000033060 [0,2,0,0,0,0|1,0,1]=4 12258 B13R0.175 C=CCOC(=O)COC[C@@H](N)CCC 34a_100000732646_100000033060 [0,2,0,0,0,0|1,0,1]=4 12259 B13R0.175 C=CCOC(=O)CSCC(C)CCC 62a_100000033060_100011216630 [0,2,0,0,0,0|1,0,1]=4 12260 B13R0.175 C=CCOC(=O)CSCC(C)CCC 62a_100011216630_100000033060 [0,2,0,0,0,0|1,0,1]=4 12261 B13R0.175 C=COC(=O)COCC(C)CCCC 34a_100011995851_100000036128 [0,2,0,0,0,0|0,0,2]=4 12262 B13R0.175 C=COC(=O)COC[C@@H](N)CCCC 34a_100011934283_100000036128 [0,2,0,0,0,0|0,0,2]=4 12263 B13R0.175 CC#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000748600 [0,2,0,0,0,0|0,0,2]=4 12264 B13R0.175 CC=CCC(=O)CCCC(=O)OCC 1458a_100000210991_100000070051 [0,2,0,0,0,0|0,0,2]=4 12265 B13R0.175 CC=CCC(=O)CCCC(=O)OCC 1458a_100121576822_100011215271 [0,2,0,0,0,0|0,0,2]=4 12266 B13R0.175 CCC#CC(=O)CCCC(=O)OCC 1458a_100011827653_100011215271 [0,2,0,0,0,0|0,0,2]=4 12267 B13R0.175 CCC#CC(C)OCCC(=O)OCC 34a_100000033903_100000765890 [0,2,0,0,0,0|0,0,2]=4 12268 B13R0.175 CCC#CC(C)OCCC(=O)OCC 7a_100000033903_100011206558 [0,2,0,0,0,0|0,0,2]=4 12269 B13R0.175 CCC=CC(=O)CCCC(=O)OCC 1458a_100000212282_100011215271 [0,2,0,0,0,0|0,0,2]=4 12270 B13R0.175 CCCC(=O)CNCC(O)COCC 2230a_102515437182_100000747444 [0,2,0,0,0,0|2,0,0]=4 12271 B13R0.175 CCCC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000747444 [0,2,0,0,0,0|2,0,0]=4 12272 B13R0.175 CCCC(C)CNCC(=O)NCCF 2230a_100000725713_100011216630 [0,2,0,0,0,0|2,0,0]=4 12273 B13R0.175 CCCC(C)CNCC(=O)NCCF 270004a_100000725713_100000243154 [0,2,0,0,0,0|2,0,0]=4 12274 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [0,2,0,0,0,0|1,0,0]=3 12275 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [0,2,0,0,0,0|0,0,0]=2 12276 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [0,2,0,0,0,0|0,0,0]=2 12277 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [0,2,0,0,0,0|0,0,1]=3 12278 B13R0.175 CCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000210183 [0,2,0,0,0,0|1,0,1]=4 12279 B13R0.175 CCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000210183 [0,2,0,0,0,0|1,0,1]=4 12280 B13R0.175 CCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000210183 [0,2,0,0,0,0|1,0,1]=4 12281 B13R0.175 CCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000210183 [0,2,0,0,0,0|1,0,1]=4 12282 B13R0.175 CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210183 [0,2,0,0,0,0|0,0,1]=3 12283 B13R0.175 CCCCC(C)COCC(=O)CCC 7a_100011995851_100000747444 [0,2,0,0,0,0|1,0,0]=3 12284 B13R0.175 CCCCC(C)COCC(=O)NCC 34a_100011995851_100000183381 [0,2,0,0,0,0|1,0,0]=3 12285 B13R0.175 CCCCC(C)COCC(=O)NCC 7a_100011995851_100000183381 [0,2,0,0,0,0|1,0,0]=3 12286 B13R0.175 CCCCC(C)COCC(=O)NCO 34a_100011995851_100000185155 [0,2,0,0,0,0|2,0,0]=4 12287 B13R0.175 CCCCC(C)COCC(=O)NCO 7a_100011995851_100000185155 [0,2,0,0,0,0|2,0,0]=4 12288 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [0,2,0,0,0,0|0,0,0]=2 12289 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [0,2,0,0,0,0|0,0,0]=2 12290 B13R0.175 CCCCC(C)NCCC(=O)NCC 2230a_100000126638_100000737597 [0,2,0,0,0,0|1,0,0]=3 12291 B13R0.175 CCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210087 [0,2,0,0,0,0|1,0,0]=3 12292 B13R0.175 CCCCC(C)NCCC(=O)NCC 34a_100025743525_200011215066 [0,2,0,0,0,0|1,0,0]=3 12293 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [0,2,0,0,0,0|0,0,0]=2 12294 B13R0.175 CCCCC(C)NCOC(=O)CCC 2230a_100000126638_100000034017 [0,2,0,0,0,0|2,0,0]=4 12295 B13R0.175 CCCCC(C)OCCC(=O)NCC 7a_100000687866_100000737597 [0,2,0,0,0,0|1,0,0]=3 12296 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [0,2,0,0,0,0|0,0,0]=2 12297 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [0,2,0,0,0,0|0,0,0]=2 12298 B13R0.175 CCCCC(C)OCOC(=O)CCC 34a_100000687866_100000034017 [0,2,0,0,0,0|2,0,0]=4 12299 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_100000737597_200011215066 [0,2,0,0,0,0|1,0,0]=3 12300 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_200011215066_100000737597 [0,2,0,0,0,0|1,0,0]=3 12301 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [0,2,0,0,0,0|0,0,0]=2 12302 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [0,2,0,0,0,0|0,0,0]=2 12303 B13R0.175 CCCCC(C)SCOC(=O)CCC 62a_200011215066_100000034017 [0,2,0,0,0,0|2,0,0]=4 12304 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [0,2,0,0,0,0|1,0,0]=3 12305 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 2230a_100000207549_100016267167 [0,2,0,0,0,0|0,0,2]=4 12306 B13R0.175 CCCCN(C)C/C=C/C(=O)OCC 269982a_100000207549_100016267167 [0,2,0,0,0,0|0,0,2]=4 12307 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [0,2,0,0,0,0|0,0,0]=2 12308 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [0,2,0,0,0,0|0,0,0]=2 12309 B13R0.175 CCCCN(C)CCNC(=O)CCC 1626a_200000754967_100000211992 [0,2,0,0,0,0|2,0,0]=4 12310 B13R0.175 CCCCN(C)CCNC(=O)CCC 240690a_200000754967_100000211992 [0,2,0,0,0,0|2,0,0]=4 12311 B13R0.175 CCCCN(C)CCNC(=O)CCC 527a_200000754967_100000211992 [0,2,0,0,0,0|2,0,0]=4 12312 B13R0.175 CCCCN(C)CCNC(=O)NCC 2708a_100015525214_200000754967 [0,2,0,0,0,0|2,0,0]=4 12313 B13R0.175 CCCCN(C)CCNC(=O)NCC 2708a_200000754967_100015525214 [0,2,0,0,0,0|2,0,0]=4 12314 B13R0.175 CCCCN(C)CCNC(=O)NCC 273464a_100015525214_200000754967 [0,2,0,0,0,0|2,0,0]=4 12315 B13R0.175 CCCCN(C)CCNC(=O)NCC 273464a_200000754967_100015525214 [0,2,0,0,0,0|2,0,0]=4 12316 B13R0.175 CCCCN(C)CCNC(=O)NCC 512a_100015525214_200000754967 [0,2,0,0,0,0|2,0,0]=4 12317 B13R0.175 CCCCN(C)CCNC(=O)NCC 512a_200000754967_100015525214 [0,2,0,0,0,0|2,0,0]=4 12318 B13R0.175 CCCCN(C)CCNC(=O)OCC 269982a_100000207549_200011445536 [0,2,0,0,0,0|1,0,0]=3 12319 B13R0.175 CCCC[C@H](N)COCC(=O)NCC 34a_100011934283_100000183381 [0,2,0,0,0,0|1,0,0]=3 12320 B13R0.175 CCCC[C@H](N)COCC(=O)NCO 34a_100011934283_100000185155 [0,2,0,0,0,0|2,0,0]=4 12321 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [0,2,0,0,0,0|0,0,0]=2 12322 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000199544_100000210303 [0,2,0,0,0,0|1,0,1]=4 12323 B13R0.175 CCCNC(=O)CCCC(=O)CCC 1458a_100000211992_100011194427 [0,2,0,0,0,0|1,0,1]=4 12324 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100015525214_100000199544 [0,2,0,0,0,0|1,0,1]=4 12325 B13R0.175 CCCNC(=O)CCCC(=O)NCC 11a_100020643023_100000199580 [0,2,0,0,0,0|1,0,1]=4 12326 B13R0.175 CCCNC(=O)CCCC(=O)NCC 1626a_100020643023_100000199580 [0,2,0,0,0,0|1,0,1]=4 12327 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100015525214_100000199544 [0,2,0,0,0,0|1,0,1]=4 12328 B13R0.175 CCCNC(=O)CCCC(=O)NCC 240690a_100020643023_100000199580 [0,2,0,0,0,0|1,0,1]=4 12329 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100015525214_100000199544 [0,2,0,0,0,0|1,0,1]=4 12330 B13R0.175 CCCNC(=O)CCCC(=O)NCC 527a_100020643023_100000199580 [0,2,0,0,0,0|1,0,1]=4 12331 B13R0.175 CCCNC(=O)CCCC(=O)OCC 11a_100020643023_100000210991 [0,2,0,0,0,0|0,0,1]=3 12332 B13R0.175 CCCNC(=O)CCCC(=O)OCC 1626a_100020643023_100000210991 [0,2,0,0,0,0|0,0,1]=3 12333 B13R0.175 CCCNC(=O)CCCC(=O)OCC 240690a_100020643023_100000210991 [0,2,0,0,0,0|0,0,1]=3 12334 B13R0.175 CCCNC(=O)CCCC(=O)OCC 527a_100020643023_100000210991 [0,2,0,0,0,0|0,0,1]=3 12335 B13R0.175 CCCNC(=O)CCCN(C)CCC 2230a_100000747261_100011194427 [0,2,0,0,0,0|2,0,0]=4 12336 B13R0.175 CCCNC(=O)CCCN(C)CCC 269982a_100000747261_100011194427 [0,2,0,0,0,0|2,0,0]=4 12337 B13R0.175 CCCNC(=O)CNCC(=O)OCC 2230a_100000174927_100000188475 [0,2,0,0,0,0|1,0,1]=4 12338 B13R0.175 CCCNC(=O)CNCC(C)CCC 2230a_100000174927_100011216630 [0,2,0,0,0,0|2,0,0]=4 12339 B13R0.175 CCCNC(=O)CNCC(C)CCC 270004a_100000174927_100000243154 [0,2,0,0,0,0|2,0,0]=4 12340 B13R0.175 CCCNC(=O)COCC(C)CCC 34a_100000688023_100000183358 [0,2,0,0,0,0|2,0,0]=4 12341 B13R0.175 CCCNC(=O)COCC(C)CCC 7a_100000688023_100000183358 [0,2,0,0,0,0|2,0,0]=4 12342 B13R0.175 CCCNC(=O)COC[C@@H](N)CCC 34a_100000732646_100000183358 [0,2,0,0,0,0|2,0,0]=4 12343 B13R0.175 CCCNC(=O)CSCC(=O)OCC 62a_100000183358_100000188475 [0,2,0,0,0,0|1,0,1]=4 12344 B13R0.175 CCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000183358 [0,2,0,0,0,0|1,0,1]=4 12345 B13R0.175 CCCNC(=O)CSCC(C)CCC 62a_100000183358_100011216630 [0,2,0,0,0,0|2,0,0]=4 12346 B13R0.175 CCCNC(=O)CSCC(C)CCC 62a_100011216630_100000183358 [0,2,0,0,0,0|2,0,0]=4 12347 B13R0.175 CCCOC(=O)CNCC(O)COC 2230a_100000756049_200011215008 [0,2,0,0,0,0|2,0,0]=4 12348 B13R0.175 CCCOC(=O)CNCC(O)COC 34a_100000756049_200011215008 [0,2,0,0,0,0|2,0,0]=4 12349 B13R0.175 CCCOC(=O)COCC(C)CCC 34a_100000688023_200011215008 [0,2,0,0,0,0|1,0,0]=3 12350 B13R0.175 CCCOC(=O)COCC(C)CCC 7a_100000688023_200011215008 [0,2,0,0,0,0|1,0,0]=3 12351 B13R0.175 CCCOC(=O)COCC(C)CCN 34a_106354213184_200011215008 [0,2,0,0,0,0|2,0,0]=4 12352 B13R0.175 CCCOC(=O)COCC(N)COC 34a_100000724102_200011215008 [0,2,0,0,0,0|2,0,0]=4 12353 B13R0.175 CCCOC(=O)COC[C@@H](N)CCC 34a_100000732646_200011215008 [0,2,0,0,0,0|1,0,0]=3 12354 B13R0.175 CCCOC(=O)CSCC(=O)CCC 62a_100000747444_200011215008 [0,2,0,0,0,0|1,0,1]=4 12355 B13R0.175 CCCOC(=O)CSCC(=O)CCC 62a_200011215008_100000747444 [0,2,0,0,0,0|1,0,1]=4 12356 B13R0.175 CCCOC(=O)CSCC(=O)OCC 62a_100000188475_200011215008 [0,2,0,0,0,0|1,0,1]=4 12357 B13R0.175 CCCOC(=O)CSCC(=O)OCC 62a_200011215008_100000188475 [0,2,0,0,0,0|1,0,1]=4 12358 B13R0.175 CCCOC(=O)CSCC(C)CCC 62a_100011216630_200011215008 [0,2,0,0,0,0|1,0,0]=3 12359 B13R0.175 CCCOC(=O)CSCC(C)CCC 62a_200011215008_100011216630 [0,2,0,0,0,0|1,0,0]=3 12360 B13R0.175 CCCOC(=O)CSCC(O)COC 62a_100011215053_200011215008 [0,2,0,0,0,0|2,0,0]=4 12361 B13R0.175 CCCOC(=O)CSCC(O)COC 62a_200011215008_100011215053 [0,2,0,0,0,0|2,0,0]=4 12362 B13R0.175 CCCOC(=O)OCOC(C)CCC 34a_100000764384_200000139673 [0,2,0,0,0,0|2,0,0]=4 12363 B13R0.175 CCCOC(=O)OCOC(C)CCC 7a_100000764384_200000139673 [0,2,0,0,0,0|2,0,0]=4 12364 B13R0.175 CCCOC(=O)OCSC(C)CCC 62a_100000766640_200000139673 [0,2,0,0,0,0|2,0,0]=4 12365 B13R0.175 CCCOC(C)CNCC(=O)CCC 2230a_100015185124_100000747444 [0,2,0,0,0,0|2,0,0]=4 12366 B13R0.175 CCCOC(C)CNCC(=O)NCC 2230a_100015185124_100000183381 [0,2,0,0,0,0|2,0,0]=4 12367 B13R0.175 CCCOC(C)CNCC(=O)NCC 34a_100015185124_100000183381 [0,2,0,0,0,0|2,0,0]=4 12368 B13R0.175 CCCOC(C)CNCC(=O)OCC 2230a_100015185124_100000188475 [0,2,0,0,0,0|1,0,0]=3 12369 B13R0.175 CCCOC(C)CNCC(=O)OCC 34a_100015185124_100000188475 [0,2,0,0,0,0|1,0,0]=3 12370 B13R0.175 CCNC(=O)CCCC(=O)CCCF 1458a_100000199580_100011934791 [0,2,0,0,0,0|1,0,1]=4 12371 B13R0.175 CCNC(=O)CCCC(=O)CCCO 1458a_100000199580_100011215043 [0,2,0,0,0,0|1,0,1]=4 12372 B13R0.175 CCNC(=O)CCCC(=O)CCOC 1458a_100000199580_100000233755 [0,2,0,0,0,0|1,0,1]=4 12373 B13R0.175 CCNC(=O)CCCC(=O)CCSC 1458a_100000199580_100000751147 [0,2,0,0,0,0|1,0,1]=4 12374 B13R0.175 CCNC(=O)CCNC(C)CCOC 270004a_100025743525_100000742357 [0,2,0,0,0,0|2,0,0]=4 12375 B13R0.175 CCNC(=O)CCNC(C)CCSC 270004a_100025743525_100011217047 [0,2,0,0,0,0|2,0,0]=4 12376 B13R0.175 CCNC(=O)CCNC(C)CSCC 270004a_100025743525_200011216171 [0,2,0,0,0,0|2,0,0]=4 12377 B13R0.175 CCNC(=O)CCOC(C)CCCCl 7a_200000718107_100000737597 [0,2,0,0,0,0|2,0,0]=4 12378 B13R0.175 CCNC(=O)CCOC(C)COCC 7a_100000718985_100000737597 [0,2,0,0,0,0|2,0,0]=4 12379 B13R0.175 CCNC(=O)CNCC(O)COCC 2230a_102515437182_100000183381 [0,2,0,0,0,0|2,0,0]=4 12380 B13R0.175 CCNC(=O)CNCC(O)COCC 34a_102515437182_100000183381 [0,2,0,0,0,0|2,0,0]=4 12381 B13R0.175 CCNC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000183381 [0,2,0,0,0,0|2,0,0]=4 12382 B13R0.175 CCNC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000183381 [0,2,0,0,0,0|2,0,0]=4 12383 B13R0.175 CCNC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000183381 [0,2,0,0,0,0|2,0,0]=4 12384 B13R0.175 CCNN=C(C)CCCC(=O)OCC 4a_100000756455_100000032325 [0,2,0,0,0,0|1,0,1]=4 12385 B13R0.175 CCNNC(=O)CCCC(=O)OCC 22a_100000756455_100000210991 [0,2,0,0,0,0|1,0,1]=4 12386 B13R0.175 CCOC(=O)CCCC(=O)CCC#N 1458a_100000210991_100011215226 [0,2,0,0,0,0|0,0,2]=4 12387 B13R0.175 CCOC(=O)CCCC(=O)CCC#N 1458a_100011934036_100011215271 [0,2,0,0,0,0|0,0,2]=4 12388 B13R0.175 CCOC(=O)CCCC(=O)CCCF 1458a_100000210991_100011934791 [0,2,0,0,0,0|0,0,1]=3 12389 B13R0.175 CCOC(=O)CCCC(=O)CCCO 1458a_100000210991_100011215043 [0,2,0,0,0,0|0,0,1]=3 12390 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000210991_100000233755 [0,2,0,0,0,0|0,0,1]=3 12391 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000749529_100011215271 [0,2,0,0,0,0|0,0,1]=3 12392 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000174002_100011215271 [0,2,0,0,0,0|0,0,1]=3 12393 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000210991_100000751147 [0,2,0,0,0,0|0,0,1]=3 12394 B13R0.175 CCOC(=O)CCCC(=O)CSCC 1458a_100000230394_100011215271 [0,2,0,0,0,0|0,0,1]=3 12395 B13R0.175 CCOC(=O)CCCC(=O)NCCF 11a_100000724931_100000210991 [0,2,0,0,0,0|1,0,1]=4 12396 B13R0.175 CCOC(=O)CCCC(=O)NCCF 1626a_100000724931_100000210991 [0,2,0,0,0,0|1,0,1]=4 12397 B13R0.175 CCOC(=O)CCCC(=O)NCCF 240690a_100000724931_100000210991 [0,2,0,0,0,0|1,0,1]=4 12398 B13R0.175 CCOC(=O)CCCC(=O)NCCF 527a_100000724931_100000210991 [0,2,0,0,0,0|1,0,1]=4 12399 B13R0.175 CCOC(=O)CCCC(=O)NCCO 240690a_100000210304_100000210991 [0,2,0,0,0,0|1,0,1]=4 12400 B13R0.175 CCOC(=O)CCCC(=O)NCCO 527a_100000210304_100000210991 [0,2,0,0,0,0|1,0,1]=4 12401 B13R0.175 CCOC(=O)CCCN(C)CCC#N 2230a_100000184479_100009991533 [0,2,0,0,0,0|1,0,1]=4 12402 B13R0.175 CCOC(=O)CCCN(C)CCCO 2230a_100000213112_100009991533 [0,2,0,0,0,0|1,0,0]=3 12403 B13R0.175 CCOC(=O)CCCN(C)CCCO 269982a_100000213112_100009991533 [0,2,0,0,0,0|1,0,0]=3 12404 B13R0.175 CCOC(=O)CCCN(C)CCOC 2230a_100000743101_100009991533 [0,2,0,0,0,0|1,0,0]=3 12405 B13R0.175 CCOC(=O)CCCN(C)CCOC 269982a_100000743101_100009991533 [0,2,0,0,0,0|1,0,0]=3 12406 B13R0.175 CCOC(=O)CCCN(C)CCSC 2230a_100000686725_100009991533 [0,2,0,0,0,0|1,0,0]=3 12407 B13R0.175 CCOC(=O)CCCN(C)CCSC 269982a_100000686725_100009991533 [0,2,0,0,0,0|1,0,0]=3 12408 B13R0.175 CCOC(=O)CCNC(=O)CCOC 188690a_100000746078_100000749529 [0,2,0,0,0,0|1,0,1]=4 12409 B13R0.175 CCOC(=O)CCNC(=O)CCSC 188690a_100000746078_100000174002 [0,2,0,0,0,0|1,0,1]=4 12410 B13R0.175 CCOC(=O)CCNC(=O)CSCC 188690a_100000746078_100000230394 [0,2,0,0,0,0|1,0,1]=4 12411 B13R0.175 CCOC(=O)CCOC(C)CCCCl 34a_200000718107_100000765890 [0,2,0,0,0,0|1,0,0]=3 12412 B13R0.175 CCOC(=O)CCOC(C)CCCCl 7a_200000718107_100011206558 [0,2,0,0,0,0|1,0,0]=3 12413 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000188475 [0,2,0,0,0,0|1,0,0]=3 12414 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000188475 [0,2,0,0,0,0|1,0,0]=3 12415 B13R0.175 CCOC(=O)COC[C@@H](C)OCOC 34a_100016172286_100000188475 [0,2,0,0,0,0|2,0,0]=4 12416 B13R0.175 CCOC(=O)COC[C@@H](C)OCOC 7a_100016172286_100000188475 [0,2,0,0,0,0|2,0,0]=4 12417 B13R0.175 CCOC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000188475 [0,2,0,0,0,0|1,0,0]=3 12418 B13R0.175 CCOC(=O)NCCC(=O)CCOC 1458a_100000749529_200011445536 [0,2,0,0,0,0|1,0,1]=4 12419 B13R0.175 CCOC(=O)NCCC(=O)CCSC 1458a_100000174002_200011445536 [0,2,0,0,0,0|1,0,1]=4 12420 B13R0.175 CCOC(=O)NCCC(=O)CSCC 1458a_100000230394_200011445536 [0,2,0,0,0,0|1,0,1]=4 12421 B13R0.175 CCOC(=O)NCCN(C)CCCO 269982a_100000213112_200011445536 [0,2,0,0,0,0|2,0,0]=4 12422 B13R0.175 CCOC(=O)NCCN(C)CCOC 269982a_100000743101_200011445536 [0,2,0,0,0,0|2,0,0]=4 12423 B13R0.175 CCOC(=O)NCCN(C)CCSC 269982a_100000686725_200011445536 [0,2,0,0,0,0|2,0,0]=4 12424 B13R0.175 CCOCC(=O)CCCC(=O)OCC 1458a_100000211967_100011215271 [0,2,0,0,0,0|0,0,1]=3 12425 B13R0.175 CCOCC(=O)CCNC(=O)OCC 1458a_100000211967_200011445536 [0,2,0,0,0,0|1,0,1]=4 12426 B13R0.175 CCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000211967 [0,2,0,0,0,0|1,0,1]=4 12427 B13R0.175 CCOCC(C)OCCC(=O)OCC 34a_100000718985_100000765890 [0,2,0,0,0,0|1,0,0]=3 12428 B13R0.175 CCOCC(C)OCCC(=O)OCC 7a_100000718985_100011206558 [0,2,0,0,0,0|1,0,0]=3 12429 B13R0.175 CCOCC(O)CNCC(=O)OCC 2230a_102515437182_100000188475 [0,2,0,0,0,0|1,0,0]=3 12430 B13R0.175 CCOCC(O)CNCC(=O)OCC 34a_102515437182_100000188475 [0,2,0,0,0,0|1,0,0]=3 12431 B13R0.193 C#CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000731252 [0,2,0,0,0,0|0,0,2]=4 12432 B13R0.193 C#CCCCN(C)CCC(=O)OCC 2230a_100000745921_100000731252 [0,2,0,0,0,0|0,0,2]=4 12433 B13R0.193 C#CCCCN(C)CCC(=O)OCC 269982a_100000745921_100011215417 [0,2,0,0,0,0|0,0,2]=4 12434 B13R0.193 C#CCCNC(C)CCC(=O)OCC 34a_100000755551_100000748298 [0,2,0,0,0,0|0,0,2]=4 12435 B13R0.193 C#CCCOC(C)CCC(=O)OCC 34a_100011215631_100000748298 [0,2,0,0,0,0|0,0,2]=4 12436 B13R0.193 C#CCCSC(C)CCC(=O)OCC 62a_100000688953_100000748298 [0,2,0,0,0,0|0,0,2]=4 12437 B13R0.193 C#CCCSC(C)CCC(=O)OCC 62a_100000748298_100000688953 [0,2,0,0,0,0|0,0,2]=4 12438 B13R0.193 C/C=C/COC(C)CCC(=O)OCC 34a_100016270725_100000748298 [0,2,0,0,0,0|0,0,2]=4 12439 B13R0.193 C/C=C/CSC(C)CCC(=O)OCC 62a_100000748298_100102629194 [0,2,0,0,0,0|0,0,2]=4 12440 B13R0.193 C/C=C/CSC(C)CCC(=O)OCC 62a_100102629194_100000748298 [0,2,0,0,0,0|0,0,2]=4 12441 B13R0.193 C=CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000757094 [0,2,0,0,0,0|0,0,2]=4 12442 B13R0.193 C=CCCCN(C)CCC(=O)OCC 2230a_100000745921_100011713584 [0,2,0,0,0,0|0,0,2]=4 12443 B13R0.193 C=CCCCN(C)CCC(=O)OCC 269982a_100000745921_100000757094 [0,2,0,0,0,0|0,0,2]=4 12444 B13R0.193 C=CCCNC(C)CCC(=O)OCC 2230a_100015191253_100000748298 [0,2,0,0,0,0|0,0,2]=4 12445 B13R0.193 C=CCCOC(C)CCC(=O)OCC 34a_100011205117_100000748298 [0,2,0,0,0,0|0,0,2]=4 12446 B13R0.193 C=CCCSC(C)CCC(=O)OCC 62a_100000748298_100000754431 [0,2,0,0,0,0|0,0,2]=4 12447 B13R0.193 C=CCCSC(C)CCC(=O)OCC 62a_100000754431_100000748298 [0,2,0,0,0,0|0,0,2]=4 12448 B13R0.193 C=COC(=O)CNC(C)CCCCC 2230a_100000211957_100000036128 [0,2,0,0,0,0|0,0,2]=4 12449 B13R0.193 C=COC(=O)COC(C)CCCCC 34a_100011215632_100000036128 [0,2,0,0,0,0|0,0,2]=4 12450 B13R0.193 C=COC(=O)CSC(C)CCCCC 62a_100000036128_200011218191 [0,2,0,0,0,0|0,0,2]=4 12451 B13R0.193 C=COC(=O)CSC(C)CCCCC 62a_200011218191_100000036128 [0,2,0,0,0,0|0,0,2]=4 12452 B13R0.193 CC#CCNC(C)CCC(=O)OCC 2230a_100000685387_100000748298 [0,2,0,0,0,0|0,0,2]=4 12453 B13R0.193 CC#CCNC(C)CCC(=O)OCC 34a_100000685387_100000748298 [0,2,0,0,0,0|0,0,2]=4 12454 B13R0.193 CC#CCOC(C)CCC(=O)OCC 34a_100000761923_100000748298 [0,2,0,0,0,0|0,0,2]=4 12455 B13R0.193 CC#CCSC(C)CCC(=O)OCC 62a_100000748298_100000748600 [0,2,0,0,0,0|0,0,2]=4 12456 B13R0.193 CC#CCSC(C)CCC(=O)OCC 62a_100000748600_100000748298 [0,2,0,0,0,0|0,0,2]=4 12457 B13R0.193 CC/C=C\CC(=O)CCC(=O)OCC 1458a_100000183558_100103147603 [0,2,0,0,0,0|0,0,2]=4 12458 B13R0.193 CC/C=C\CN(C)CCC(=O)OCC 2230a_100000745921_100103147603 [0,2,0,0,0,0|0,0,2]=4 12459 B13R0.193 CC/C=C\CN(C)CCC(=O)OCC 269982a_100000745921_100103147603 [0,2,0,0,0,0|0,0,2]=4 12460 B13R0.193 CC=CCSC(C)CCC(=O)OCC 62a_100000070051_100000748298 [0,2,0,0,0,0|0,0,2]=4 12461 B13R0.193 CC=CCSC(C)CCC(=O)OCC 62a_100000748298_100000070051 [0,2,0,0,0,0|0,0,2]=4 12462 B13R0.193 CCC#CCC(=O)CCC(=O)OCC 1458a_100000183558_100009813939 [0,2,0,0,0,0|0,0,2]=4 12463 B13R0.193 CCC#CCC(C)OCC(=O)OCC 34a_200000035118_100000188475 [0,2,0,0,0,0|0,0,2]=4 12464 B13R0.193 CCC#CCC(C)OCC(=O)OCC 7a_200000035118_100000188475 [0,2,0,0,0,0|0,0,2]=4 12465 B13R0.193 CCC#CCN(C)CCC(=O)OCC 2230a_100000745921_100009813939 [0,2,0,0,0,0|0,0,2]=4 12466 B13R0.193 CCCC(=O)COC(C)CCCOC 7a_200011539412_100000747444 [0,2,0,0,0,0|2,0,0]=4 12467 B13R0.193 CCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210326 [0,2,0,0,0,0|0,0,2]=4 12468 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [0,2,0,0,0,0|1,0,0]=3 12469 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [0,2,0,0,0,0|0,0,0]=2 12470 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [0,2,0,0,0,0|0,0,1]=3 12471 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,2,0,0,0,0|1,0,1]=4 12472 B13R0.193 CCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 12473 B13R0.193 CCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 12474 B13R0.193 CCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 12475 B13R0.193 CCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000212188 [0,2,0,0,0,0|1,0,1]=4 12476 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [0,2,0,0,0,0|0,0,1]=3 12477 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [0,2,0,0,0,0|1,0,0]=3 12478 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [0,2,0,0,0,0|2,0,0]=4 12479 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [0,2,0,0,0,0|2,0,0]=4 12480 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [0,2,0,0,0,0|1,0,0]=3 12481 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [0,2,0,0,0,0|1,0,0]=3 12482 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [0,2,0,0,0,0|1,0,0]=3 12483 B13R0.193 CCCCCC(C)CCC(=O)NNC 22a_100016993582_100000034243 [0,2,0,0,0,0|2,0,0]=4 12484 B13R0.193 CCCCCC(C)NCC(=O)CCC 2230a_100000211957_100000747444 [0,2,0,0,0,0|1,0,0]=3 12485 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100000211957_100000183381 [0,2,0,0,0,0|1,0,0]=3 12486 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218191 [0,2,0,0,0,0|1,0,0]=3 12487 B13R0.193 CCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000211708 [0,2,0,0,0,0|1,0,0]=3 12488 B13R0.193 CCCCCC(C)NCC(=O)NCO 2230a_100000211957_100000185155 [0,2,0,0,0,0|2,0,0]=4 12489 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [0,2,0,0,0,0|0,0,0]=2 12490 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [0,2,0,0,0,0|1,0,0]=3 12491 B13R0.193 CCCCCC(C)OCC(=O)NCC 34a_100011215632_100000183381 [0,2,0,0,0,0|1,0,0]=3 12492 B13R0.193 CCCCCC(C)OCC(=O)NCC 7a_100011215632_100000183381 [0,2,0,0,0,0|1,0,0]=3 12493 B13R0.193 CCCCCC(C)OCC(=O)NCO 34a_100011215632_100000185155 [0,2,0,0,0,0|2,0,0]=4 12494 B13R0.193 CCCCCC(C)OCC(=O)NCO 7a_100011215632_100000185155 [0,2,0,0,0,0|2,0,0]=4 12495 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [0,2,0,0,0,0|0,0,0]=2 12496 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [0,2,0,0,0,0|0,0,0]=2 12497 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218191 [0,2,0,0,0,0|1,0,0]=3 12498 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_200011218191_100000747444 [0,2,0,0,0,0|1,0,0]=3 12499 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218191 [0,2,0,0,0,0|1,0,0]=3 12500 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_200011218191_100000183381 [0,2,0,0,0,0|1,0,0]=3 12501 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_100000185155_200011218191 [0,2,0,0,0,0|2,0,0]=4 12502 B13R0.193 CCCCCC(C)SCC(=O)NCO 62a_200011218191_100000185155 [0,2,0,0,0,0|2,0,0]=4 12503 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [0,2,0,0,0,0|0,0,0]=2 12504 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [0,2,0,0,0,0|0,0,0]=2 12505 B13R0.193 CCCCCN(C)CCC(=O)CCC 1458a_100016987678_100000210303 [0,2,0,0,0,0|1,0,0]=3 12506 B13R0.193 CCCCCN(C)CCC(=O)CCF 1458a_100016987678_100011217306 [0,2,0,0,0,0|2,0,0]=4 12507 B13R0.193 CCCCCN(C)CCC(=O)CCO 1458a_100016987678_100000211926 [0,2,0,0,0,0|2,0,0]=4 12508 B13R0.193 CCCCCN(C)CCC(=O)NCC 2230a_100000223495_100000737597 [0,2,0,0,0,0|1,0,0]=3 12509 B13R0.193 CCCCCN(C)CCC(=O)NCC 240690a_100015525214_100016987678 [0,2,0,0,0,0|1,0,0]=3 12510 B13R0.193 CCCCCN(C)CCC(=O)NCC 269982a_100000223495_100000737597 [0,2,0,0,0,0|1,0,0]=3 12511 B13R0.193 CCCCCN(C)CCC(=O)NNC 22a_100016993582_100016987678 [0,2,0,0,0,0|2,0,0]=4 12512 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [0,2,0,0,0,0|0,0,0]=2 12513 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [0,2,0,0,0,0|0,0,0]=2 12514 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [0,2,0,0,0,0|0,0,0]=2 12515 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [0,2,0,0,0,0|0,0,0]=2 12516 B13R0.193 CCCCCN(C)COC(=O)CCC 2230a_100000223495_100000034017 [0,2,0,0,0,0|2,0,0]=4 12517 B13R0.193 CCCCCN(C)COC(=O)CCC 269982a_100000223495_100000034017 [0,2,0,0,0,0|2,0,0]=4 12518 B13R0.193 CCCCNC(=O)CCC(=O)NCC 11a_100000102301_100000199579 [0,2,0,0,0,0|1,0,1]=4 12519 B13R0.193 CCCCNC(=O)CCC(=O)NCC 1626a_100000102301_100000199579 [0,2,0,0,0,0|1,0,1]=4 12520 B13R0.193 CCCCNC(=O)CCC(=O)NCC 240690a_100000102301_100000199579 [0,2,0,0,0,0|1,0,1]=4 12521 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [0,2,0,0,0,0|0,0,1]=3 12522 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [0,2,0,0,0,0|0,0,1]=3 12523 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [0,2,0,0,0,0|0,0,1]=3 12524 B13R0.193 CCCCNC(=O)CNC(=O)OCC 11a_100000102301_100000190774 [0,2,0,0,0,0|1,0,1]=4 12525 B13R0.193 CCCCNC(=O)CNC(=O)OCC 1626a_100000102301_100000190774 [0,2,0,0,0,0|1,0,1]=4 12526 B13R0.193 CCCCNC(=O)CNC(=O)OCC 240690a_100000102301_100000190774 [0,2,0,0,0,0|1,0,1]=4 12527 B13R0.193 CCCCNC(=O)CNC(=O)OCC 527a_100000102301_100000190774 [0,2,0,0,0,0|1,0,1]=4 12528 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [0,2,0,0,0,0|0,0,0]=2 12529 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [0,2,0,0,0,0|0,0,0]=2 12530 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [0,2,0,0,0,0|0,0,0]=2 12531 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [0,2,0,0,0,0|0,0,0]=2 12532 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [0,2,0,0,0,0|0,0,0]=2 12533 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [0,2,0,0,0,0|0,0,0]=2 12534 B13R0.193 CCCNN=C(C)CCC(=O)OCC 4a_100000740057_100011212338 [0,2,0,0,0,0|1,0,1]=4 12535 B13R0.193 CCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000745993 [0,2,0,0,0,0|1,0,1]=4 12536 B13R0.193 CCCOCC(=O)NCC(=O)OCC 34a_100000210258_100011215850 [0,2,0,0,0,0|1,0,1]=4 12537 B13R0.193 CCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000217233 [0,2,0,0,0,0|1,0,1]=4 12538 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100000210303_100011215850 [0,2,0,0,0,0|1,0,1]=4 12539 B13R0.193 CCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210303 [0,2,0,0,0,0|1,0,1]=4 12540 B13R0.193 CCCSCC(C)NCC(=O)NCC 270004a_100016988866_100011343953 [0,2,0,0,0,0|2,0,0]=4 12541 B13R0.193 CCNC(=O)CCC(=O)CCCCF 1458a_100000199579_100000729493 [0,2,0,0,0,0|1,0,1]=4 12542 B13R0.193 CCNC(=O)CCC(=O)CCCCO 1458a_100000199579_100000210776 [0,2,0,0,0,0|1,0,1]=4 12543 B13R0.193 CCNC(=O)CCC(=O)CCCOC 1458a_100000199579_100000740836 [0,2,0,0,0,0|1,0,1]=4 12544 B13R0.193 CCNC(=O)CCC(=O)CCOCC 1458a_100000199579_100011215890 [0,2,0,0,0,0|1,0,1]=4 12545 B13R0.193 CCNC(=O)CCC(=O)CCSCC 1458a_100000199579_100000757381 [0,2,0,0,0,0|1,0,1]=4 12546 B13R0.193 CCNC(=O)CCN(C)CCCCO 2230a_100000717598_100000737597 [0,2,0,0,0,0|2,0,0]=4 12547 B13R0.193 CCNC(=O)CCN(C)CCCCO 269982a_100000717598_100000737597 [0,2,0,0,0,0|2,0,0]=4 12548 B13R0.193 CCNC(=O)CCN(C)CCCOC 2230a_100000224831_100000737597 [0,2,0,0,0,0|2,0,0]=4 12549 B13R0.193 CCNC(=O)CCN(C)CCCOC 269982a_100000224831_100000737597 [0,2,0,0,0,0|2,0,0]=4 12550 B13R0.193 CCNC(=O)CNC(C)CCCSC 270004a_100016988866_100011399439 [0,2,0,0,0,0|2,0,0]=4 12551 B13R0.193 CCNC(=O)CNC(C)CCOCC 270004a_100016988866_200011216536 [0,2,0,0,0,0|2,0,0]=4 12552 B13R0.193 CCNC(=O)COC(C)CCCOC 34a_200011539412_100000183381 [0,2,0,0,0,0|2,0,0]=4 12553 B13R0.193 CCNC(=O)COC(C)CCCOC 7a_200011539412_100000183381 [0,2,0,0,0,0|2,0,0]=4 12554 B13R0.193 CCOC(=O)CCC(=O)CCCC#N 1458a_100000183558_100000211468 [0,2,0,0,0,0|0,0,2]=4 12555 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [0,2,0,0,0,0|0,0,1]=3 12556 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [0,2,0,0,0,0|0,0,1]=3 12557 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [0,2,0,0,0,0|0,0,1]=3 12558 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [0,2,0,0,0,0|0,0,1]=3 12559 B13R0.193 CCOC(=O)CCC(=O)NCCCF 11a_100015189416_100000183558 [0,2,0,0,0,0|1,0,1]=4 12560 B13R0.193 CCOC(=O)CCC(=O)NCCCF 1626a_100015189416_100000183558 [0,2,0,0,0,0|1,0,1]=4 12561 B13R0.193 CCOC(=O)CCC(=O)NCCCF 240690a_100015189416_100000183558 [0,2,0,0,0,0|1,0,1]=4 12562 B13R0.193 CCOC(=O)CCC(=O)NCCCO 240690a_100000182051_100000183558 [0,2,0,0,0,0|1,0,1]=4 12563 B13R0.193 CCOC(=O)CCC(=O)NCCOC 1626a_100000209980_100000183558 [0,2,0,0,0,0|1,0,1]=4 12564 B13R0.193 CCOC(=O)CCC(=O)NCCOC 240690a_100000209980_100000183558 [0,2,0,0,0,0|1,0,1]=4 12565 B13R0.193 CCOC(=O)CCC(=O)NCCSC 11a_100020590264_100000183558 [0,2,0,0,0,0|1,0,1]=4 12566 B13R0.193 CCOC(=O)CCC(=O)NCCSC 1626a_100020590264_100000183558 [0,2,0,0,0,0|1,0,1]=4 12567 B13R0.193 CCOC(=O)CCC(=O)NCCSC 240690a_100020590264_100000183558 [0,2,0,0,0,0|1,0,1]=4 12568 B13R0.193 CCOC(=O)CCC(C)NCCCF 2230a_100015189416_100000748298 [0,2,0,0,0,0|1,0,0]=3 12569 B13R0.193 CCOC(=O)CCC(C)NCCCF 34a_100015189416_100000748298 [0,2,0,0,0,0|1,0,0]=3 12570 B13R0.193 CCOC(=O)CCC(C)NCCOC 2230a_100000209980_100000748298 [0,2,0,0,0,0|1,0,0]=3 12571 B13R0.193 CCOC(=O)CCC(C)NCCSC 2230a_100020590264_100000748298 [0,2,0,0,0,0|1,0,0]=3 12572 B13R0.193 CCOC(=O)CCC(C)OCCCBr 34a_100011217188_100000748298 [0,2,0,0,0,0|1,0,0]=3 12573 B13R0.193 CCOC(=O)CCC(C)OCCCCl 34a_100000230001_100000748298 [0,2,0,0,0,0|1,0,0]=3 12574 B13R0.193 CCOC(=O)CCC(C)OCCCF 34a_100000759539_100000748298 [0,2,0,0,0,0|1,0,0]=3 12575 B13R0.193 CCOC(=O)CCC(C)OCCCN 34a_100000182051_100000748298 [0,2,0,0,0,0|1,0,0]=3 12576 B13R0.193 CCOC(=O)CCC(C)OCCOC 34a_100000210237_100000748298 [0,2,0,0,0,0|1,0,0]=3 12577 B13R0.193 CCOC(=O)CCC(C)OCCON 34a_100000700252_100000748298 [0,2,0,0,0,0|2,0,0]=4 12578 B13R0.193 CCOC(=O)CCC(C)OCCSC 34a_100000230434_100000748298 [0,2,0,0,0,0|1,0,0]=3 12579 B13R0.193 CCOC(=O)CCC(C)OCCSC 7a_100000230434_100000748298 [0,2,0,0,0,0|1,0,0]=3 12580 B13R0.193 CCOC(=O)CCC(C)SCCC#N 62a_100000748298_100011215226 [0,2,0,0,0,0|1,0,1]=4 12581 B13R0.193 CCOC(=O)CCC(C)SCCC#N 62a_100011215226_100000748298 [0,2,0,0,0,0|1,0,1]=4 12582 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100000748298_100011934791 [0,2,0,0,0,0|1,0,0]=3 12583 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100011934791_100000748298 [0,2,0,0,0,0|1,0,0]=3 12584 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100000748298_100011215043 [0,2,0,0,0,0|1,0,0]=3 12585 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100011215043_100000748298 [0,2,0,0,0,0|1,0,0]=3 12586 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000233755_100000748298 [0,2,0,0,0,0|1,0,0]=3 12587 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000748298_100000233755 [0,2,0,0,0,0|1,0,0]=3 12588 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000212216_100000748298 [0,2,0,0,0,0|1,0,0]=3 12589 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000748298_100000751147 [0,2,0,0,0,0|1,0,0]=3 12590 B13R0.193 CCOC(=O)CCN(C)CCCC#N 2230a_100000745921_100000687738 [0,2,0,0,0,0|1,0,1]=4 12591 B13R0.193 CCOC(=O)CCN(C)CCCC#N 269982a_100000745921_100000687738 [0,2,0,0,0,0|1,0,1]=4 12592 B13R0.193 CCOC(=O)CCN(C)CCCC=O 2230a_100000745921_200011292268 [0,2,0,0,0,0|1,0,1]=4 12593 B13R0.193 CCOC(=O)CCN(C)CCCC=O 269982a_100000745921_200011292268 [0,2,0,0,0,0|1,0,1]=4 12594 B13R0.193 CCOC(=O)CCN(C)CCCCF 2230a_100000745921_100000729493 [0,2,0,0,0,0|1,0,0]=3 12595 B13R0.193 CCOC(=O)CCN(C)CCCCF 269982a_100000745921_100000729493 [0,2,0,0,0,0|1,0,0]=3 12596 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000717598_100011206558 [0,2,0,0,0,0|1,0,0]=3 12597 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000745921_100000210776 [0,2,0,0,0,0|1,0,0]=3 12598 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000717598_100011206558 [0,2,0,0,0,0|1,0,0]=3 12599 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000745921_100000210776 [0,2,0,0,0,0|1,0,0]=3 12600 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000224831_100011206558 [0,2,0,0,0,0|1,0,0]=3 12601 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000745921_100000740836 [0,2,0,0,0,0|1,0,0]=3 12602 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000224831_100011206558 [0,2,0,0,0,0|1,0,0]=3 12603 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000745921_100000740836 [0,2,0,0,0,0|1,0,0]=3 12604 B13R0.193 CCOC(=O)CCN(C)CCSCC 2230a_100000745921_100000757381 [0,2,0,0,0,0|1,0,0]=3 12605 B13R0.193 CCOC(=O)CCN(C)CCSCC 269982a_100000745921_100000757381 [0,2,0,0,0,0|1,0,0]=3 12606 B13R0.193 CCOC(=O)CNC(=O)CCCCO 188690a_100000741813_100000695505 [0,2,0,0,0,0|1,0,1]=4 12607 B13R0.193 CCOC(=O)CNC(=O)CCCOC 188690a_100000741813_100000741012 [0,2,0,0,0,0|1,0,1]=4 12608 B13R0.193 CCOC(=O)CNC(=O)CCCSC 188690a_100000741813_100000173376 [0,2,0,0,0,0|1,0,1]=4 12609 B13R0.193 CCOC(=O)CNC(=O)CCSCC 188690a_100000741813_100000230768 [0,2,0,0,0,0|1,0,1]=4 12610 B13R0.193 CCOC(=O)COC(C)CCCOC 34a_200011539412_100000188475 [0,2,0,0,0,0|1,0,0]=3 12611 B13R0.193 CCOC(=O)COC(C)CCCOC 7a_200011539412_100000188475 [0,2,0,0,0,0|1,0,0]=3 12612 B13R0.193 CCOC(=O)NCC(=O)CCCCF 1458a_100000190774_100000729493 [0,2,0,0,0,0|1,0,1]=4 12613 B13R0.193 CCOC(=O)NCC(=O)CCCCO 1458a_100000190774_100000210776 [0,2,0,0,0,0|1,0,1]=4 12614 B13R0.193 CCOC(=O)NCC(=O)CCCOC 1458a_100000190774_100000740836 [0,2,0,0,0,0|1,0,1]=4 12615 B13R0.193 CCOC(=O)NCC(=O)CCSCC 1458a_100000190774_100000757381 [0,2,0,0,0,0|1,0,1]=4 12616 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [0,2,0,0,0,0|0,0,1]=3 12617 B13R0.193 CCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215890 [0,2,0,0,0,0|1,0,1]=4 12618 B13R0.193 CCOCCC(=O)NCC(=O)OCC 188690a_100000741813_100000749530 [0,2,0,0,0,0|1,0,1]=4 12619 B13R0.193 CCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215890 [0,2,0,0,0,0|1,0,0]=3 12620 B13R0.193 CCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215890 [0,2,0,0,0,0|1,0,0]=3 12621 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000739092_100000748298 [0,2,0,0,0,0|1,0,0]=3 12622 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000748298_100000739092 [0,2,0,0,0,0|1,0,0]=3 12623 B13R0.275 C#CCCCCCC(=O)C(C)OCC 1458a_100000739345_100012094781 [0,2,0,0,0,0|0,0,2]=4 12624 B13R0.275 C#CCCCCNC(C)C(=O)OCC 2230a_100000706060_100011215307 [0,2,0,0,0,0|0,0,2]=4 12625 B13R0.275 C#CCCCCNC(C)C(=O)OCC 34a_100000706060_100011216346 [0,2,0,0,0,0|0,0,2]=4 12626 B13R0.275 C#CCCCCNC(F)C(=O)OCC 2230a_100000706060_100000760018 [0,2,0,0,0,0|0,0,2]=4 12627 B13R0.275 C#CCCCCNC(F)C(=O)OCC 34a_100000706060_100000760018 [0,2,0,0,0,0|0,0,2]=4 12628 B13R0.275 C#CCCCCOC(C)C(=O)OCC 34a_100000766709_100011216346 [0,2,0,0,0,0|0,0,2]=4 12629 B13R0.275 C#CCCCCOC(C)C(=O)OCC 7a_100000766709_100011216346 [0,2,0,0,0,0|0,0,2]=4 12630 B13R0.275 C#CCCCCOC(F)C(=O)OCC 34a_100000766709_100000760018 [0,2,0,0,0,0|0,0,2]=4 12631 B13R0.275 C#CCCCCOC(F)C(=O)OCC 7a_100000766709_100000040065 [0,2,0,0,0,0|0,0,2]=4 12632 B13R0.275 C#CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100010269958 [0,2,0,0,0,0|0,0,2]=4 12633 B13R0.275 C#CCCCCSC(C)C(=O)OCC 62a_100010269958_100011216346 [0,2,0,0,0,0|0,0,2]=4 12634 B13R0.275 C#CCCCCSC(C)C(=O)OCC 62a_100011216346_100010269958 [0,2,0,0,0,0|0,0,2]=4 12635 B13R0.275 C#CCCCCSC(F)C(=O)OCC 62a_100000760018_100010269958 [0,2,0,0,0,0|0,0,2]=4 12636 B13R0.275 C#CCCCCSC(F)C(=O)OCC 62a_100010269958_100000760018 [0,2,0,0,0,0|0,0,2]=4 12637 B13R0.275 C#CCN(C)C(=O)CCCCCCC 11a_100000225692_100000211969 [0,2,0,0,0,0|1,0,1]=4 12638 B13R0.275 C#CCN(C)C(=O)CCCCCCC 1626a_100000225692_100000211969 [0,2,0,0,0,0|1,0,1]=4 12639 B13R0.275 C#CCN(C)C(=O)CCCCCCC 527a_100000225692_100000211969 [0,2,0,0,0,0|1,0,1]=4 12640 B13R0.275 C=C(CNCCCCO)C(=O)OCC 34a_100000750430_100000755967 [0,2,0,0,0,0|1,0,1]=4 12641 B13R0.275 C=C(CNCCCOC)C(=O)OCC 34a_100150723488_100000755967 [0,2,0,0,0,0|1,0,1]=4 12642 B13R0.275 C=C(CNCCOCC)C(=O)OCC 34a_102516460346_100000755967 [0,2,0,0,0,0|1,0,1]=4 12643 B13R0.275 C=C(COCCCCBr)C(=O)OCC 34a_100011216708_100000755967 [0,2,0,0,0,0|1,0,1]=4 12644 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [0,2,0,0,0,0|0,0,1]=3 12645 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [0,2,0,0,0,0|0,0,1]=3 12646 B13R0.275 C=C(COCCCCCl)C(=O)OCC 34a_100000210776_100000755967 [0,2,0,0,0,0|1,0,1]=4 12647 B13R0.275 C=C(COCCCCCl)C(=O)OCC 7a_100000210776_100000755967 [0,2,0,0,0,0|1,0,1]=4 12648 B13R0.275 C=C(COCCCCF)C(=O)OCC 34a_100011995726_100000755967 [0,2,0,0,0,0|1,0,1]=4 12649 B13R0.275 C=C(COCCCCF)C(=O)OCC 7a_100011995726_100000755967 [0,2,0,0,0,0|1,0,1]=4 12650 B13R0.275 C=C(COCCCCI)C(=O)OCC 34a_200012148704_100000755967 [0,2,0,0,0,0|1,0,1]=4 12651 B13R0.275 C=C(COCCCCN)C(=O)OCC 34a_100000750430_100000755967 [0,2,0,0,0,0|1,0,1]=4 12652 B13R0.275 C=C(COCCCNC)C(=O)OCC 34a_100000213112_100000755967 [0,2,0,0,0,0|1,0,1]=4 12653 B13R0.275 C=C(COCCCOC)C(=O)OCC 34a_100000740835_100000755967 [0,2,0,0,0,0|1,0,1]=4 12654 B13R0.275 C=C(COCCCSC)C(=O)OCC 34a_100000690336_100000755967 [0,2,0,0,0,0|1,0,1]=4 12655 B13R0.275 C=C(COCCCSC)C(=O)OCC 7a_100000690336_100000755967 [0,2,0,0,0,0|1,0,1]=4 12656 B13R0.275 C=C(COCCOCC)C(=O)OCC 34a_100000210136_100000755967 [0,2,0,0,0,0|1,0,1]=4 12657 B13R0.275 C=C(COCCOCC)C(=O)OCC 7a_100000210136_100000755967 [0,2,0,0,0,0|1,0,1]=4 12658 B13R0.275 C=C(COCCSCC)C(=O)OCC 34a_100000212035_100000755967 [0,2,0,0,0,0|1,0,1]=4 12659 B13R0.275 C=C(COCCSCC)C(=O)OCC 7a_100000212035_100000755967 [0,2,0,0,0,0|1,0,1]=4 12660 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [0,2,0,0,0,0|0,0,1]=3 12661 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [0,2,0,0,0,0|0,0,1]=3 12662 B13R0.275 C=C(CSCCCCF)C(=O)OCC 62a_100000729493_100000755967 [0,2,0,0,0,0|1,0,1]=4 12663 B13R0.275 C=C(CSCCCCF)C(=O)OCC 62a_100000755967_100000729493 [0,2,0,0,0,0|1,0,1]=4 12664 B13R0.275 C=C(CSCCCCO)C(=O)OCC 62a_100000210776_100000755967 [0,2,0,0,0,0|1,0,1]=4 12665 B13R0.275 C=C(CSCCCCO)C(=O)OCC 62a_100000755967_100000210776 [0,2,0,0,0,0|1,0,1]=4 12666 B13R0.275 C=C(CSCCCOC)C(=O)OCC 62a_100000709357_100000755967 [0,2,0,0,0,0|1,0,1]=4 12667 B13R0.275 C=C(CSCCCOC)C(=O)OCC 62a_100000755967_100000709357 [0,2,0,0,0,0|1,0,1]=4 12668 B13R0.275 C=C(CSCCOCC)C(=O)OCC 62a_100000210147_100000755967 [0,2,0,0,0,0|1,0,1]=4 12669 B13R0.275 C=C(CSCCOCC)C(=O)OCC 62a_100000755967_100011215890 [0,2,0,0,0,0|1,0,1]=4 12670 B13R0.275 C=C(CSCCSCC)C(=O)OCC 62a_100000755967_100000757381 [0,2,0,0,0,0|1,0,1]=4 12671 B13R0.275 C=C(CSCCSCC)C(=O)OCC 62a_100000757381_100000755967 [0,2,0,0,0,0|1,0,1]=4 12672 B13R0.275 C=CCC(C)C(=O)CCCCCCC 1458a_100011216819_100000210614 [0,2,0,0,0,0|1,0,1]=4 12673 B13R0.275 C=CCCCCCC(=O)C(C)OCC 1458a_100000739345_100000700193 [0,2,0,0,0,0|0,0,2]=4 12674 B13R0.275 C=CCCCCNC(C)C(=O)OCC 2230a_100000703577_100011215307 [0,2,0,0,0,0|0,0,2]=4 12675 B13R0.275 C=CCCCCNC(C)C(=O)OCC 34a_100000703577_100011216346 [0,2,0,0,0,0|0,0,2]=4 12676 B13R0.275 C=CCCCCNC(F)C(=O)OCC 2230a_100000703577_100000760018 [0,2,0,0,0,0|0,0,2]=4 12677 B13R0.275 C=CCCCCNC(F)C(=O)OCC 34a_100000703577_100000760018 [0,2,0,0,0,0|0,0,2]=4 12678 B13R0.275 C=CCCCCOC(C)C(=O)OCC 34a_100000766645_100011216346 [0,2,0,0,0,0|0,0,2]=4 12679 B13R0.275 C=CCCCCOC(C)C(=O)OCC 7a_100000766645_100011216346 [0,2,0,0,0,0|0,0,2]=4 12680 B13R0.275 C=CCCCCOC(F)C(=O)OCC 34a_100000766645_100000760018 [0,2,0,0,0,0|0,0,2]=4 12681 B13R0.275 C=CCCCCOC(F)C(=O)OCC 7a_100000766645_100000040065 [0,2,0,0,0,0|0,0,2]=4 12682 B13R0.275 C=CCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215482 [0,2,0,0,0,0|0,0,2]=4 12683 B13R0.275 C=CCCCCSC(C)C(=O)OCC 62a_100011215482_100011216346 [0,2,0,0,0,0|0,0,2]=4 12684 B13R0.275 C=CCCCCSC(C)C(=O)OCC 62a_100011216346_100011215482 [0,2,0,0,0,0|0,0,2]=4 12685 B13R0.275 C=CCCCCSC(F)C(=O)OCC 62a_100000760018_100011215482 [0,2,0,0,0,0|0,0,2]=4 12686 B13R0.275 C=CCCCCSC(F)C(=O)OCC 62a_100011215482_100000760018 [0,2,0,0,0,0|0,0,2]=4 12687 B13R0.275 C=CCN(C)C(=O)CCCCCCC 11a_100000225617_100000211969 [0,2,0,0,0,0|1,0,1]=4 12688 B13R0.275 C=CCN(C)C(=O)CCCCCCC 1626a_100000225617_100000211969 [0,2,0,0,0,0|1,0,1]=4 12689 B13R0.275 C=CCN(C)C(=O)CCCCCCC 240690a_100000225617_100000211969 [0,2,0,0,0,0|1,0,1]=4 12690 B13R0.275 C=CCN(C)C(=O)CCCCCCC 527a_100000225617_100000211969 [0,2,0,0,0,0|1,0,1]=4 12691 B13R0.275 CC#CC(=O)C(C)CCCCCCC 1458a_100000763181_200011218727 [0,2,0,0,0,0|1,0,1]=4 12692 B13R0.275 CC(CCO)C(=O)CCCCCCO 1458a_100011996774_100009893172 [0,2,0,0,0,0|2,0,0]=4 12693 B13R0.275 CC/C=C(\C)/C(=O)CCCCCCC 1458a_100016988807_100000210614 [0,2,0,0,0,0|1,0,0]=3 12694 B13R0.275 CC/C=C(\C)/C(=O)CCCCCCF 1458a_100016988807_100015922095 [0,2,0,0,0,0|2,0,0]=4 12695 B13R0.275 CC/C=C(\C)/C(=O)CCCCCCO 1458a_100016988807_100000766143 [0,2,0,0,0,0|2,0,0]=4 12696 B13R0.275 CC/C=C(\C)/C(=O)CCOCCCC 1458a_100016988807_100000743108 [0,2,0,0,0,0|2,0,0]=4 12697 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC 11a_100000210581_100016988807 [0,2,0,0,0,0|2,0,0]=4 12698 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC 1626a_100000210581_100016988807 [0,2,0,0,0,0|2,0,0]=4 12699 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC 240690a_100000210581_100016988807 [0,2,0,0,0,0|2,0,0]=4 12700 B13R0.275 CC/C=C(\C)/C(=O)NCCCCCC 527a_100000210581_100016988807 [0,2,0,0,0,0|2,0,0]=4 12701 B13R0.275 CC/C=C\CCOC(C)C(=O)OCC 34a_100016288707_100011216346 [0,2,0,0,0,0|0,0,2]=4 12702 B13R0.275 CC/C=C\CCOC(C)C(=O)OCC 7a_100016288707_100011216346 [0,2,0,0,0,0|0,0,2]=4 12703 B13R0.275 CC/C=C\CCOC(F)C(=O)OCC 34a_100016288707_100000760018 [0,2,0,0,0,0|0,0,2]=4 12704 B13R0.275 CC/C=C\CCOC(F)C(=O)OCC 7a_100016288707_100000040065 [0,2,0,0,0,0|0,0,2]=4 12705 B13R0.275 CC/C=C\CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015370543 [0,2,0,0,0,0|0,0,2]=4 12706 B13R0.275 CC/C=C\CCSC(C)C(=O)OCC 62a_100011216346_100015370543 [0,2,0,0,0,0|0,0,2]=4 12707 B13R0.275 CC/C=C\CCSC(C)C(=O)OCC 62a_100015370543_100011216346 [0,2,0,0,0,0|0,0,2]=4 12708 B13R0.275 CC/C=C\CCSC(F)C(=O)OCC 62a_100000760018_100015370543 [0,2,0,0,0,0|0,0,2]=4 12709 B13R0.275 CC/C=C\CCSC(F)C(=O)OCC 62a_100015370543_100000760018 [0,2,0,0,0,0|0,0,2]=4 12710 B13R0.275 CC=CC(=O)C(C)CCCCCCC 1458a_100000210699_200011218727 [0,2,0,0,0,0|1,0,1]=4 12711 B13R0.275 CC=CC(=O)N(C)CCCCCCC 11a_100000228206_100000210699 [0,2,0,0,0,0|1,0,1]=4 12712 B13R0.275 CC=CC(=O)N(C)CCCCCCC 1626a_100000228206_100000210699 [0,2,0,0,0,0|1,0,1]=4 12713 B13R0.275 CC=CC(=O)N(C)CCCCCCC 240690a_100000228206_100000210699 [0,2,0,0,0,0|1,0,1]=4 12714 B13R0.275 CC=CCCCOC(C)C(=O)OCC 34a_100020645299_100011216346 [0,2,0,0,0,0|0,0,2]=4 12715 B13R0.275 CC=CCCCOC(F)C(=O)OCC 34a_100020645299_100000760018 [0,2,0,0,0,0|0,0,2]=4 12716 B13R0.275 CCC#CCCOC(C)C(=O)OCC 34a_100000036655_100011216346 [0,2,0,0,0,0|0,0,2]=4 12717 B13R0.275 CCC#CCCOC(C)C(=O)OCC 7a_100000036655_100011216346 [0,2,0,0,0,0|0,0,2]=4 12718 B13R0.275 CCC#CCCOC(F)C(=O)OCC 34a_100000036655_100000760018 [0,2,0,0,0,0|0,0,2]=4 12719 B13R0.275 CCC#CCCOC(F)C(=O)OCC 7a_100000036655_100000040065 [0,2,0,0,0,0|0,0,2]=4 12720 B13R0.275 CCC/C=C/COC(C)C(=O)OCC 34a_100016278788_100011216346 [0,2,0,0,0,0|0,0,2]=4 12721 B13R0.275 CCC/C=C/COC(C)C(=O)OCC 7a_100016278788_100011216346 [0,2,0,0,0,0|0,0,2]=4 12722 B13R0.275 CCC/C=C/COC(F)C(=O)OCC 34a_100016278788_100000760018 [0,2,0,0,0,0|0,0,2]=4 12723 B13R0.275 CCC/C=C/COC(F)C(=O)OCC 7a_100016278788_100000040065 [0,2,0,0,0,0|0,0,2]=4 12724 B13R0.275 CCCC#CCOC(C)C(=O)OCC 34a_100000034806_100011216346 [0,2,0,0,0,0|0,0,2]=4 12725 B13R0.275 CCCC#CCOC(C)C(=O)OCC 7a_100000034806_100011216346 [0,2,0,0,0,0|0,0,2]=4 12726 B13R0.275 CCCC#CCOC(F)C(=O)OCC 34a_100000034806_100000760018 [0,2,0,0,0,0|0,0,2]=4 12727 B13R0.275 CCCC#CCOC(F)C(=O)OCC 7a_100000034806_100000040065 [0,2,0,0,0,0|0,0,2]=4 12728 B13R0.275 CCCC(C)C(=O)CCCCCCF 1458a_100000210906_100015922095 [0,2,0,0,0,0|2,0,0]=4 12729 B13R0.275 CCCC(C)C(=O)CCCCCCO 1458a_100000210906_100000766143 [0,2,0,0,0,0|2,0,0]=4 12730 B13R0.275 CCCC(C)C(=O)CCCCCCO 1458a_100011996774_100000766640 [0,2,0,0,0,0|2,0,0]=4 12731 B13R0.275 CCCC(C)C(=O)CCCCCOC 1458a_100011935119_100000766640 [0,2,0,0,0,0|2,0,0]=4 12732 B13R0.275 CCCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210614 [0,2,0,0,0,0|2,0,0]=4 12733 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [0,2,0,0,0,0|1,0,0]=3 12734 B13R0.275 CCCCCCCC(=O)C(C)CC#N 1458a_100000211969_100009813641 [0,2,0,0,0,0|1,0,1]=4 12735 B13R0.275 CCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210614 [0,2,0,0,0,0|1,0,0]=3 12736 B13R0.275 CCCCCCCC(=O)C(C)CCC 1458a_100000211969_100000766640 [0,2,0,0,0,0|1,0,0]=3 12737 B13R0.275 CCCCCCCC(=O)C(C)CCO 1458a_100000211969_100009893172 [0,2,0,0,0,0|1,0,0]=3 12738 B13R0.275 CCCCCCCC(=O)C(C)COC 1458a_100000211969_100000765312 [0,2,0,0,0,0|1,0,0]=3 12739 B13R0.275 CCCCCCCC(=O)C(C)COC 1458a_100000751857_100000210614 [0,2,0,0,0,0|1,0,0]=3 12740 B13R0.275 CCCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210614 [0,2,0,0,0,0|1,0,0]=3 12741 B13R0.275 CCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210614 [0,2,0,0,0,0|0,0,0]=2 12742 B13R0.275 CCCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210614 [0,2,0,0,0,0|0,1,0]=3 12743 B13R0.275 CCCCCCCC(=O)N(C)CC#N 11a_100000748184_100000211969 [0,2,0,0,0,0|1,0,1]=4 12744 B13R0.275 CCCCCCCC(=O)N(C)CC#N 1626a_100000748184_100000211969 [0,2,0,0,0,0|1,0,1]=4 12745 B13R0.275 CCCCCCCC(=O)N(C)CCC 11a_100000747261_100000211969 [0,2,0,0,0,0|1,0,0]=3 12746 B13R0.275 CCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000211969 [0,2,0,0,0,0|1,0,0]=3 12747 B13R0.275 CCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000211969 [0,2,0,0,0,0|1,0,0]=3 12748 B13R0.275 CCCCCCCC(=O)N(C)CCC 527a_100000747261_100000211969 [0,2,0,0,0,0|1,0,0]=3 12749 B13R0.275 CCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000211969 [0,2,0,0,0,0|1,0,0]=3 12750 B13R0.275 CCCCCCCC(=O)N(C)CCO 527a_100000210263_100000211969 [0,2,0,0,0,0|1,0,0]=3 12751 B13R0.275 CCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210614 [0,2,0,0,0,0|1,0,0]=3 12752 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [0,2,0,0,0,0|1,0,0]=3 12753 B13R0.275 CCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011218727 [0,2,0,0,0,0|2,0,0]=4 12754 B13R0.275 CCCCCCCC(C)C(=O)COC 1458a_100000210968_200011218727 [0,2,0,0,0,0|2,0,0]=4 12755 B13R0.275 CCCCCCCC(C)C(=O)CSC 1458a_100000184570_200011218727 [0,2,0,0,0,0|2,0,0]=4 12756 B13R0.275 CCCCCCCN(C)C(=O)CCC 11a_100000228206_100000211992 [0,2,0,0,0,0|1,0,0]=3 12757 B13R0.275 CCCCCCCN(C)C(=O)CCC 1626a_100000228206_100000211992 [0,2,0,0,0,0|1,0,0]=3 12758 B13R0.275 CCCCCCCN(C)C(=O)CCC 240690a_100000228206_100000211992 [0,2,0,0,0,0|1,0,0]=3 12759 B13R0.275 CCCCCCCN(C)C(=O)CCC 527a_100000228206_100000211992 [0,2,0,0,0,0|1,0,0]=3 12760 B13R0.275 CCCCCCCN(C)C(=O)CCO 240690a_100000228206_100011216618 [0,2,0,0,0,0|2,0,0]=4 12761 B13R0.275 CCCCCCCN(C)C(=O)COC 11a_100000228206_100000210968 [0,2,0,0,0,0|2,0,0]=4 12762 B13R0.275 CCCCCCCN(C)C(=O)COC 1626a_100000228206_100000210968 [0,2,0,0,0,0|2,0,0]=4 12763 B13R0.275 CCCCCCCN(C)C(=O)COC 240690a_100000228206_100000210968 [0,2,0,0,0,0|2,0,0]=4 12764 B13R0.275 CCCCCCCN(C)C(=O)COC 527a_100000228206_100000210968 [0,2,0,0,0,0|2,0,0]=4 12765 B13R0.275 CCCCCCCN(C)C(=O)CSC 11a_100000228206_100000184570 [0,2,0,0,0,0|2,0,0]=4 12766 B13R0.275 CCCCCCCN(C)C(=O)CSC 1626a_100000228206_100000184570 [0,2,0,0,0,0|2,0,0]=4 12767 B13R0.275 CCCCCCCN(C)C(=O)CSC 240690a_100000228206_100000184570 [0,2,0,0,0,0|2,0,0]=4 12768 B13R0.275 CCCCCCCN(C)C(=O)CSC 527a_100000228206_100000184570 [0,2,0,0,0,0|2,0,0]=4 12769 B13R0.275 CCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000228206 [0,2,0,0,0,0|1,0,0]=3 12770 B13R0.275 CCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000228206 [0,2,0,0,0,0|1,0,0]=3 12771 B13R0.275 CCCCCCNC(=O)C(=O)NCC 1626a_100000210581_200011297158 [0,2,0,0,0,0|1,0,1]=4 12772 B13R0.275 CCCCCCNC(=O)C(=O)NCC 240690a_100000210581_200011297158 [0,2,0,0,0,0|1,0,1]=4 12773 B13R0.275 CCCCCCNC(=O)C(=O)NCC 527a_100000210581_200011297158 [0,2,0,0,0,0|1,0,1]=4 12774 B13R0.275 CCCCCCNC(=O)C(=O)OCC 11a_100000210581_100014798877 [0,2,0,0,0,0|0,0,1]=3 12775 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1626a_100000210581_100014798877 [0,2,0,0,0,0|0,0,1]=3 12776 B13R0.275 CCCCCCNC(=O)C(=O)OCC 240690a_100000210581_100014798877 [0,2,0,0,0,0|0,0,1]=3 12777 B13R0.275 CCCCCCNC(=O)C(C)CCC 11a_100000210581_100000210906 [0,2,0,0,0,0|2,0,0]=4 12778 B13R0.275 CCCCCCNC(=O)C(C)CCC 1626a_100000210581_100000210906 [0,2,0,0,0,0|2,0,0]=4 12779 B13R0.275 CCCCCCNC(=O)C(C)CCC 240690a_100000210581_100000210906 [0,2,0,0,0,0|2,0,0]=4 12780 B13R0.275 CCCCCCNC(=O)C(C)CCC 527a_100000210581_100000210906 [0,2,0,0,0,0|2,0,0]=4 12781 B13R0.275 CCCCCCNC(=O)C(C)COC 11a_100000210581_100000751857 [0,2,0,0,0,0|2,0,0]=4 12782 B13R0.275 CCCCCCNC(=O)C(C)COC 1626a_100000210581_100000751857 [0,2,0,0,0,0|2,0,0]=4 12783 B13R0.275 CCCCCCNC(=O)C(C)COC 240690a_100000210581_100000751857 [0,2,0,0,0,0|2,0,0]=4 12784 B13R0.275 CCCCCCNC(=O)C(C)COC 527a_100000210581_100000751857 [0,2,0,0,0,0|2,0,0]=4 12785 B13R0.275 CCCCCCNC(=O)C(C)CSC 11a_100000210581_100000753918 [0,2,0,0,0,0|2,0,0]=4 12786 B13R0.275 CCCCCCNC(=O)C(C)CSC 1626a_100000210581_100000753918 [0,2,0,0,0,0|2,0,0]=4 12787 B13R0.275 CCCCCCNC(=O)C(C)CSC 240690a_100000210581_100000753918 [0,2,0,0,0,0|2,0,0]=4 12788 B13R0.275 CCCCCCNC(=O)C(C)CSC 527a_100000210581_100000753918 [0,2,0,0,0,0|2,0,0]=4 12789 B13R0.275 CCCCCCNC(=O)C(C)OCC 11a_100000210581_100000739345 [0,2,0,0,0,0|1,0,0]=3 12790 B13R0.275 CCCCCCNC(=O)C(C)OCC 1626a_100000210581_100000739345 [0,2,0,0,0,0|1,0,0]=3 12791 B13R0.275 CCCCCCNC(=O)C(C)OCC 240690a_100000210581_100000739345 [0,2,0,0,0,0|1,0,0]=3 12792 B13R0.275 CCCCCCNC(=O)C(C)OCC 527a_100000210581_100000739345 [0,2,0,0,0,0|1,0,0]=3 12793 B13R0.275 CCCCCCNC(=O)C(C)SCC 11a_100000210581_100000230601 [0,2,0,0,0,0|1,1,0]=4 12794 B13R0.275 CCCCCCNC(=O)C(C)SCC 1626a_100000210581_100000230601 [0,2,0,0,0,0|1,1,0]=4 12795 B13R0.275 CCCCCCNC(=O)C(C)SCC 240690a_100000210581_100000230601 [0,2,0,0,0,0|1,1,0]=4 12796 B13R0.275 CCCCCCNC(=O)C(C)SCC 527a_100000210581_100000230601 [0,2,0,0,0,0|1,1,0]=4 12797 B13R0.275 CCCCCCNC(=O)N(C)CCC 2708a_100000210581_100000747261 [0,2,0,0,0,0|2,0,0]=4 12798 B13R0.275 CCCCCCNC(=O)N(C)CCC 273464a_100000210581_100000747261 [0,2,0,0,0,0|2,0,0]=4 12799 B13R0.275 CCCCCCNC(=O)N(C)CCO 2708a_100000210581_100000210263 [0,2,0,0,0,0|2,0,0]=4 12800 B13R0.275 CCCCCCNC(=O)N(C)CCO 273464a_100000210581_100000210263 [0,2,0,0,0,0|2,0,0]=4 12801 B13R0.275 CCCCCCNC(=O)[C@@H](O)CCC 240690a_100000210581_100009822183 [0,2,0,0,0,0|2,0,0]=4 12802 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000210581_100000230173 [0,2,0,0,0,0|1,0,0]=3 12803 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210314 [0,2,0,0,0,0|1,0,0]=3 12804 B13R0.275 CCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210314 [0,2,0,0,0,0|1,0,0]=3 12805 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [0,2,0,0,0,0|0,0,0]=2 12806 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [0,2,0,0,0,0|0,0,0]=2 12807 B13R0.275 CCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210314 [0,2,0,0,0,0|0,1,0]=3 12808 B13R0.275 CCCCCCOC(C)C(=O)NCC 34a_100000210259_100000230173 [0,2,0,0,0,0|1,0,0]=3 12809 B13R0.275 CCCCCCOC(C)C(=O)NCC 7a_100000210259_100000230173 [0,2,0,0,0,0|1,0,0]=3 12810 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [0,2,0,0,0,0|0,0,0]=2 12811 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [0,2,0,0,0,0|0,0,0]=2 12812 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [0,2,0,0,0,0|0,0,0]=2 12813 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [0,2,0,0,0,0|0,0,0]=2 12814 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [0,2,0,0,0,0|0,0,0]=2 12815 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000210314_100000230173 [0,2,0,0,0,0|1,0,0]=3 12816 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210757 [0,2,0,0,0,0|1,0,0]=3 12817 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [0,2,0,0,0,0|0,0,0]=2 12818 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [0,2,0,0,0,0|0,0,0]=2 12819 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [0,2,0,0,0,0|0,0,0]=2 12820 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [0,2,0,0,0,0|0,0,0]=2 12821 B13R0.275 CCCCCNN=C(C)C(=O)OCC 4a_100000694160_100000209952 [0,2,0,0,0,0|1,0,1]=4 12822 B13R0.275 CCCCCNNC(=O)C(C)OCC 22a_100000694160_100000739345 [0,2,0,0,0,0|2,0,0]=4 12823 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [0,2,0,0,0,0|0,0,1]=3 12824 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [0,2,0,0,0,0|0,0,1]=3 12825 B13R0.275 CCCCOCCC(=O)C(=O)NCC 1458a_200011297158_100000743108 [0,2,0,0,0,0|1,0,1]=4 12826 B13R0.275 CCCCOCCC(=O)C(C)CCC 1458a_100000210906_100000743108 [0,2,0,0,0,0|2,0,0]=4 12827 B13R0.275 CCCCOCCC(=O)C(C)COC 1458a_100000751857_100000743108 [0,2,0,0,0,0|2,0,0]=4 12828 B13R0.275 CCCCOCCC(=O)C(C)CSC 1458a_100000753918_100000743108 [0,2,0,0,0,0|2,0,0]=4 12829 B13R0.275 CCCCOCCC(=O)C(C)OCC 1458a_100000739345_100000743108 [0,2,0,0,0,0|1,0,0]=3 12830 B13R0.275 CCCCOCCC(=O)C(C)SCC 1458a_100000230601_100000743108 [0,2,0,0,0,0|1,1,0]=4 12831 B13R0.275 CCCCOCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000743108 [0,2,0,0,0,0|2,0,0]=4 12832 B13R0.275 CCCCOCNC(C)C(=O)NCC 2230a_100000736553_100011995733 [0,2,0,0,0,0|2,0,0]=4 12833 B13R0.275 CCCCOCNC(C)C(=O)NCC 34a_100000736553_100011995733 [0,2,0,0,0,0|2,0,0]=4 12834 B13R0.275 CCCCOCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011995733 [0,2,0,0,0,0|1,1,0]=4 12835 B13R0.275 CCCCOCSC(C)C(=O)NCC 62a_100000230173_100011995733 [0,2,0,0,0,0|2,0,0]=4 12836 B13R0.275 CCCCOCSC(C)C(=O)NCC 62a_100011995733_100000230173 [0,2,0,0,0,0|2,0,0]=4 12837 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011216346_100011995733 [0,2,0,0,0,0|1,0,0]=3 12838 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011995733_100011216346 [0,2,0,0,0,0|1,0,0]=3 12839 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100000760018_100011995733 [0,2,0,0,0,0|1,0,0]=3 12840 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100011995733_100000760018 [0,2,0,0,0,0|1,0,0]=3 12841 B13R0.275 CCCN(C)C(=O)CCCCCCO 240690a_100000747261_100011996774 [0,2,0,0,0,0|2,0,0]=4 12842 B13R0.275 CCCN(C)C(=O)CCCCCOC 11a_100000747261_100011935119 [0,2,0,0,0,0|2,0,0]=4 12843 B13R0.275 CCCN(C)C(=O)CCCCCOC 1626a_100000747261_100011935119 [0,2,0,0,0,0|2,0,0]=4 12844 B13R0.275 CCCN(C)C(=O)CCCCCOC 240690a_100000747261_100011935119 [0,2,0,0,0,0|2,0,0]=4 12845 B13R0.275 CCCN(C)C(=O)CCCCCOC 527a_100000747261_100011935119 [0,2,0,0,0,0|2,0,0]=4 12846 B13R0.275 CCCOCCNC(=O)C(=O)OCC 1626a_100161115042_100014798877 [0,2,0,0,0,0|1,0,1]=4 12847 B13R0.275 CCCOCCNC(=O)C(=O)OCC 240690a_100161115042_100014798877 [0,2,0,0,0,0|1,0,1]=4 12848 B13R0.275 CCCOCCNC(=O)C(C)OCC 1626a_100161115042_100000739345 [0,2,0,0,0,0|2,0,0]=4 12849 B13R0.275 CCCOCCNC(=O)C(C)OCC 240690a_100161115042_100000739345 [0,2,0,0,0,0|2,0,0]=4 12850 B13R0.275 CCCOCCNC(=O)C(C)OCC 527a_100161115042_100000739345 [0,2,0,0,0,0|2,0,0]=4 12851 B13R0.275 CCCOCCNC(C)C(=O)NCC 2230a_100000736553_100011215938 [0,2,0,0,0,0|2,0,0]=4 12852 B13R0.275 CCCOCCNC(C)C(=O)NCC 2230a_100161115042_100000230173 [0,2,0,0,0,0|2,0,0]=4 12853 B13R0.275 CCCOCCNC(C)C(=O)NCC 34a_100000736553_100011215938 [0,2,0,0,0,0|2,0,0]=4 12854 B13R0.275 CCCOCCNC(C)C(=O)NCC 34a_100161115042_100000230173 [0,2,0,0,0,0|2,0,0]=4 12855 B13R0.275 CCCOCCNC(C)C(=O)OCC 2230a_100161115042_100011215307 [0,2,0,0,0,0|1,0,0]=3 12856 B13R0.275 CCCOCCNC(C)C(=O)OCC 34a_100161115042_100011216346 [0,2,0,0,0,0|1,0,0]=3 12857 B13R0.275 CCCOCCNC(F)C(=O)OCC 2230a_100161115042_100000760018 [0,2,0,0,0,0|1,0,0]=3 12858 B13R0.275 CCCOCCNC(F)C(=O)OCC 34a_100161115042_100000760018 [0,2,0,0,0,0|1,0,0]=3 12859 B13R0.275 CCCOCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100011215938 [0,2,0,0,0,0|1,1,0]=4 12860 B13R0.275 CCCOCCOC(C)C(=O)NCC 34a_100000752267_100000230173 [0,2,0,0,0,0|2,0,0]=4 12861 B13R0.275 CCCOCCOC(C)C(=O)NCC 7a_100000752267_100000230173 [0,2,0,0,0,0|2,0,0]=4 12862 B13R0.275 CCCOCCOC(C)C(=O)OCC 34a_100000752267_100011216346 [0,2,0,0,0,0|1,0,0]=3 12863 B13R0.275 CCCOCCOC(C)C(=O)OCC 7a_100000752267_100011216346 [0,2,0,0,0,0|1,0,0]=3 12864 B13R0.275 CCCOCCOC(F)C(=O)OCC 34a_100000752267_100000760018 [0,2,0,0,0,0|1,0,0]=3 12865 B13R0.275 CCCOCCOC(F)C(=O)OCC 7a_100000752267_100000040065 [0,2,0,0,0,0|1,0,0]=3 12866 B13R0.275 CCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215938 [0,2,0,0,0,0|1,0,0]=3 12867 B13R0.275 CCCOCCSC(C)C(=O)NCC 62a_100000230173_100011215938 [0,2,0,0,0,0|2,0,0]=4 12868 B13R0.275 CCCOCCSC(C)C(=O)NCC 62a_100011215938_100000230173 [0,2,0,0,0,0|2,0,0]=4 12869 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011215938_100011216346 [0,2,0,0,0,0|1,0,0]=3 12870 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011216346_100011215938 [0,2,0,0,0,0|1,0,0]=3 12871 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100000760018_100011215938 [0,2,0,0,0,0|1,0,0]=3 12872 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100011215938_100000760018 [0,2,0,0,0,0|1,0,0]=3 12873 B13R0.275 CCCSCCNC(=O)C(=O)OCC 11a_100020603323_100014798877 [0,2,0,0,0,0|1,0,1]=4 12874 B13R0.275 CCCSCCNC(=O)C(=O)OCC 240690a_100020603323_100014798877 [0,2,0,0,0,0|1,0,1]=4 12875 B13R0.275 CCCSCCNC(=O)C(C)OCC 11a_100020603323_100000739345 [0,2,0,0,0,0|2,0,0]=4 12876 B13R0.275 CCCSCCNC(=O)C(C)OCC 240690a_100020603323_100000739345 [0,2,0,0,0,0|2,0,0]=4 12877 B13R0.275 CCCSCCNC(=O)C(C)OCC 527a_100020603323_100000739345 [0,2,0,0,0,0|2,0,0]=4 12878 B13R0.275 CCCSCCNC(C)C(=O)NCC 2230a_100020603323_100000230173 [0,2,0,0,0,0|2,0,0]=4 12879 B13R0.275 CCCSCCNC(C)C(=O)OCC 2230a_100020603323_100011215307 [0,2,0,0,0,0|1,0,0]=3 12880 B13R0.275 CCCSCCNC(F)C(=O)OCC 2230a_100020603323_100000760018 [0,2,0,0,0,0|1,0,0]=3 12881 B13R0.275 CCCSCCOC(C)C(=O)NCC 34a_200000230433_100000230173 [0,2,0,0,0,0|2,0,0]=4 12882 B13R0.275 CCCSCCOC(C)C(=O)NCC 7a_200000230433_100000230173 [0,2,0,0,0,0|2,0,0]=4 12883 B13R0.275 CCCSCCOC(C)C(=O)OCC 34a_200000230433_100011216346 [0,2,0,0,0,0|1,0,0]=3 12884 B13R0.275 CCCSCCOC(C)C(=O)OCC 7a_200000230433_100011216346 [0,2,0,0,0,0|1,0,0]=3 12885 B13R0.275 CCCSCCOC(F)C(=O)OCC 34a_200000230433_100000760018 [0,2,0,0,0,0|1,0,0]=3 12886 B13R0.275 CCCSCCOC(F)C(=O)OCC 7a_200000230433_100000040065 [0,2,0,0,0,0|1,0,0]=3 12887 B13R0.275 CCC[C@H](O)C(=O)CCCCCCF 1458a_100009822183_100015922095 [0,2,0,0,0,0|2,0,0]=4 12888 B13R0.275 CCC[C@H](O)C(=O)CCCCCCO 1458a_100009822183_100000766143 [0,2,0,0,0,0|2,0,0]=4 12889 B13R0.275 CCNC(=O)C(=O)CCCCCCF 1458a_200011297158_100015922095 [0,2,0,0,0,0|1,0,1]=4 12890 B13R0.275 CCNC(=O)C(=O)CCCCCCO 1458a_200011297158_100000766143 [0,2,0,0,0,0|1,0,1]=4 12891 B13R0.275 CCNC(=O)C(C)NCCCCCF 2230a_100000736553_100000729378 [0,2,0,0,0,0|2,0,0]=4 12892 B13R0.275 CCNC(=O)C(C)NCCCCCF 34a_100000736553_100000729378 [0,2,0,0,0,0|2,0,0]=4 12893 B13R0.275 CCNC(=O)C(C)NCCCCCO 2230a_100000736553_100000746330 [0,2,0,0,0,0|2,0,0]=4 12894 B13R0.275 CCNC(=O)C(C)NCCCCCO 2230a_100000762737_100000230173 [0,2,0,0,0,0|2,0,0]=4 12895 B13R0.275 CCNC(=O)C(C)NCCCCCO 34a_100000736553_100000746330 [0,2,0,0,0,0|2,0,0]=4 12896 B13R0.275 CCNC(=O)C(C)NCCCCCO 34a_100000762737_100000230173 [0,2,0,0,0,0|2,0,0]=4 12897 B13R0.275 CCNC(=O)C(C)NCCCCOC 2230a_100000736553_100000730899 [0,2,0,0,0,0|2,0,0]=4 12898 B13R0.275 CCNC(=O)C(C)NCCCCOC 34a_100000736553_100000755781 [0,2,0,0,0,0|2,0,0]=4 12899 B13R0.275 CCNC(=O)C(C)NCCCOCC 2230a_100000210961_100000230173 [0,2,0,0,0,0|2,0,0]=4 12900 B13R0.275 CCNC(=O)C(C)NCCCOCC 2230a_100000736553_100012232248 [0,2,0,0,0,0|2,0,0]=4 12901 B13R0.275 CCNC(=O)C(C)NCCCOCC 34a_100000210961_100000230173 [0,2,0,0,0,0|2,0,0]=4 12902 B13R0.275 CCNC(=O)C(C)NCCCOCC 34a_100000736553_100012232248 [0,2,0,0,0,0|2,0,0]=4 12903 B13R0.275 CCNC(=O)C(C)OCCCCCBr 34a_100000746331_100000230173 [0,2,0,0,0,0|2,0,0]=4 12904 B13R0.275 CCNC(=O)C(C)OCCCCCBr 7a_100000746331_100000230173 [0,2,0,0,0,0|2,0,0]=4 12905 B13R0.275 CCNC(=O)C(C)OCCCCCCl 34a_100000746330_100000230173 [0,2,0,0,0,0|2,0,0]=4 12906 B13R0.275 CCNC(=O)C(C)OCCCCCCl 7a_100000746330_100000230173 [0,2,0,0,0,0|2,0,0]=4 12907 B13R0.275 CCNC(=O)C(C)OCCCCCI 34a_200012148887_100000230173 [0,2,0,0,0,0|2,0,0]=4 12908 B13R0.275 CCNC(=O)C(C)OCCCCCI 7a_200012148887_100000230173 [0,2,0,0,0,0|2,0,0]=4 12909 B13R0.275 CCNC(=O)C(C)OCCCCCN 34a_100000762737_100000230173 [0,2,0,0,0,0|2,0,0]=4 12910 B13R0.275 CCNC(=O)C(C)OCCCCOC 34a_100000740925_100000230173 [0,2,0,0,0,0|2,0,0]=4 12911 B13R0.275 CCNC(=O)C(C)OCCCCSC 34a_100011217163_100000230173 [0,2,0,0,0,0|2,0,0]=4 12912 B13R0.275 CCNC(=O)C(C)OCCCCSC 7a_100011217163_100000230173 [0,2,0,0,0,0|2,0,0]=4 12913 B13R0.275 CCNC(=O)C(C)OCCCOCC 34a_100000757476_100000230173 [0,2,0,0,0,0|2,0,0]=4 12914 B13R0.275 CCNC(=O)C(C)OCCCOCC 7a_100000757476_100000230173 [0,2,0,0,0,0|2,0,0]=4 12915 B13R0.275 CCNC(=O)C(C)OCCCSCC 34a_100011216438_100000230173 [0,2,0,0,0,0|2,0,0]=4 12916 B13R0.275 CCNC(=O)C(C)OCCCSCC 7a_100011216438_100000230173 [0,2,0,0,0,0|2,0,0]=4 12917 B13R0.275 CCNC(=O)C(C)SCCCCCF 62a_100000230173_100000729378 [0,2,0,0,0,0|2,0,0]=4 12918 B13R0.275 CCNC(=O)C(C)SCCCCCF 62a_100000729378_100000230173 [0,2,0,0,0,0|2,0,0]=4 12919 B13R0.275 CCNC(=O)C(C)SCCCCCO 62a_100000230173_100000746330 [0,2,0,0,0,0|2,0,0]=4 12920 B13R0.275 CCNC(=O)C(C)SCCCCCO 62a_100000746330_100000230173 [0,2,0,0,0,0|2,0,0]=4 12921 B13R0.275 CCNC(=O)C(C)SCCCCOC 62a_100000230173_100000730899 [0,2,0,0,0,0|2,0,0]=4 12922 B13R0.275 CCNC(=O)C(C)SCCCCOC 62a_100000730899_100000230173 [0,2,0,0,0,0|2,0,0]=4 12923 B13R0.275 CCNC(=O)C(C)SCCCOCC 62a_100000230173_100012232248 [0,2,0,0,0,0|2,0,0]=4 12924 B13R0.275 CCNC(=O)C(C)SCCCOCC 62a_100012232248_100000230173 [0,2,0,0,0,0|2,0,0]=4 12925 B13R0.275 CCOC(=O)C(=O)CCCCCNC 2230a_106832991635_100000068741 [0,2,0,0,0,0|0,0,1]=3 12926 B13R0.275 CCOC(=O)C(=O)CCCCCSC 62a_200000210301_100000068741 [0,2,0,0,0,0|0,0,1]=3 12927 B13R0.275 CCOC(=O)C(=O)CCCCCS[13CH3] 62a_200025704644_100000068741 [0,2,0,0,0,0|0,0,1]=3 12928 B13R0.275 CCOC(=O)C(=O)CSCCCCF 62a_100000211299_100000729493 [0,2,0,0,0,0|1,0,1]=4 12929 B13R0.275 CCOC(=O)C(=O)CSCCCCF 62a_100000729493_100000211299 [0,2,0,0,0,0|1,0,1]=4 12930 B13R0.275 CCOC(=O)C(=O)CSCCCCO 62a_100000210776_100000211299 [0,2,0,0,0,0|1,0,1]=4 12931 B13R0.275 CCOC(=O)C(=O)CSCCCCO 62a_100000211299_100000210776 [0,2,0,0,0,0|1,0,1]=4 12932 B13R0.275 CCOC(=O)C(=O)CSCCCOC 62a_100000211299_100000709357 [0,2,0,0,0,0|1,0,1]=4 12933 B13R0.275 CCOC(=O)C(=O)CSCCCOC 62a_100000709357_100000211299 [0,2,0,0,0,0|1,0,1]=4 12934 B13R0.275 CCOC(=O)C(=O)CSCCSCC 62a_100000211299_100000757381 [0,2,0,0,0,0|1,0,1]=4 12935 B13R0.275 CCOC(=O)C(=O)CSCCSCC 62a_100000757381_100000211299 [0,2,0,0,0,0|1,0,1]=4 12936 B13R0.275 CCOC(=O)C(=O)NCCCCCO 240690a_100000762737_100014798877 [0,2,0,0,0,0|1,0,1]=4 12937 B13R0.275 CCOC(=O)C(C)NCCCCCO 2230a_100000762737_100011215307 [0,2,0,0,0,0|1,0,0]=3 12938 B13R0.275 CCOC(=O)C(C)NCCCCCO 34a_100000762737_100011216346 [0,2,0,0,0,0|1,0,0]=3 12939 B13R0.275 CCOC(=O)C(C)NCCOCCO 2230a_100000211614_100011215307 [0,2,0,0,0,0|2,0,0]=4 12940 B13R0.275 CCOC(=O)C(C)NCCOCCO 34a_100000211614_100011216346 [0,2,0,0,0,0|2,0,0]=4 12941 B13R0.275 CCOC(=O)C(C)NCCSCCO 2230a_100011219999_100011215307 [0,2,0,0,0,0|2,0,0]=4 12942 B13R0.275 CCOC(=O)C(C)OCCCCCBr 34a_100000746331_100011216346 [0,2,0,0,0,0|1,0,0]=3 12943 B13R0.275 CCOC(=O)C(C)OCCCCCBr 7a_100000746331_100011216346 [0,2,0,0,0,0|1,0,0]=3 12944 B13R0.275 CCOC(=O)C(C)OCCCCCCl 34a_100000746330_100011216346 [0,2,0,0,0,0|1,0,0]=3 12945 B13R0.275 CCOC(=O)C(C)OCCCCCCl 7a_100000746330_100011216346 [0,2,0,0,0,0|1,0,0]=3 12946 B13R0.275 CCOC(=O)C(C)OCCCCCI 34a_200012148887_100011216346 [0,2,0,0,0,0|1,0,0]=3 12947 B13R0.275 CCOC(=O)C(C)OCCCCCI 7a_200012148887_100011216346 [0,2,0,0,0,0|1,0,0]=3 12948 B13R0.275 CCOC(=O)C(C)OCCCCCN 34a_100000762737_100011216346 [0,2,0,0,0,0|1,0,0]=3 12949 B13R0.275 CCOC(=O)C(C)OCCCCOC 34a_100000740925_100011216346 [0,2,0,0,0,0|1,0,0]=3 12950 B13R0.275 CCOC(=O)C(C)OCCCCSC 34a_100011217163_100011216346 [0,2,0,0,0,0|1,0,0]=3 12951 B13R0.275 CCOC(=O)C(C)OCCCCSC 7a_100011217163_100011216346 [0,2,0,0,0,0|1,0,0]=3 12952 B13R0.275 CCOC(=O)C(C)OCCCSCC 34a_100011216438_100011216346 [0,2,0,0,0,0|1,0,0]=3 12953 B13R0.275 CCOC(=O)C(C)OCCCSCC 7a_100011216438_100011216346 [0,2,0,0,0,0|1,0,0]=3 12954 B13R0.275 CCOC(=O)C(C)OCCOCCBr 34a_100000692535_100011216346 [0,2,0,0,0,0|2,0,0]=4 12955 B13R0.275 CCOC(=O)C(C)OCCOCCBr 7a_100000692535_100011216346 [0,2,0,0,0,0|2,0,0]=4 12956 B13R0.275 CCOC(=O)C(C)OCCOCCCl 34a_100011215305_100011216346 [0,2,0,0,0,0|2,0,0]=4 12957 B13R0.275 CCOC(=O)C(C)OCCOCCCl 7a_100011215305_100011216346 [0,2,0,0,0,0|2,0,0]=4 12958 B13R0.275 CCOC(=O)C(C)OCCOCCF 34a_200015357709_100011216346 [0,2,0,0,0,0|2,0,0]=4 12959 B13R0.275 CCOC(=O)C(C)OCCOCCF 7a_200015357709_100011216346 [0,2,0,0,0,0|2,0,0]=4 12960 B13R0.275 CCOC(=O)C(C)OCCOCCI 34a_100012149058_100011216346 [0,2,0,0,0,0|2,0,0]=4 12961 B13R0.275 CCOC(=O)C(C)OCCOCCI 7a_100012149058_100011216346 [0,2,0,0,0,0|2,0,0]=4 12962 B13R0.275 CCOC(=O)C(C)OCCOCCN 34a_100000211614_100011216346 [0,2,0,0,0,0|2,0,0]=4 12963 B13R0.275 CCOC(=O)C(C)SCCCCC#N 62a_100011216346_100000211819 [0,2,0,0,0,0|1,0,1]=4 12964 B13R0.275 CCOC(=O)C(C)SCCCCC#N 62a_100011219923_100011216346 [0,2,0,0,0,0|1,0,1]=4 12965 B13R0.275 CCOC(=O)C(C)SCCCCC=O 62a_100000139335_100011216346 [0,2,0,0,0,0|1,0,1]=4 12966 B13R0.275 CCOC(=O)C(C)SCCCCC=O 62a_100011216346_100000139335 [0,2,0,0,0,0|1,0,1]=4 12967 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100000729378_100011216346 [0,2,0,0,0,0|1,0,0]=3 12968 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100011216346_100000729378 [0,2,0,0,0,0|1,0,0]=3 12969 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100000746330_100011216346 [0,2,0,0,0,0|1,0,0]=3 12970 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100011216346_100000746330 [0,2,0,0,0,0|1,0,0]=3 12971 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100000730899_100011216346 [0,2,0,0,0,0|1,0,0]=3 12972 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100011216346_100000730899 [0,2,0,0,0,0|1,0,0]=3 12973 B13R0.275 CCOC(=O)C(C)SCCOCCO 62a_100011215305_100011216346 [0,2,0,0,0,0|2,0,0]=4 12974 B13R0.275 CCOC(=O)C(C)SCCOCCO 62a_100011216346_100011215305 [0,2,0,0,0,0|2,0,0]=4 12975 B13R0.275 CCOC(=O)C(C)SCOCCOC 62a_100000231047_100011216346 [0,2,0,0,0,0|2,0,0]=4 12976 B13R0.275 CCOC(=O)C(C)SCOCCOC 62a_100011216346_100000231047 [0,2,0,0,0,0|2,0,0]=4 12977 B13R0.275 CCOC(=O)C(F)NCCCCCO 2230a_100000762737_100000760018 [0,2,0,0,0,0|1,0,0]=3 12978 B13R0.275 CCOC(=O)C(F)NCCCCCO 34a_100000762737_100000760018 [0,2,0,0,0,0|1,0,0]=3 12979 B13R0.275 CCOC(=O)C(F)NCCOCCO 2230a_100000211614_100000760018 [0,2,0,0,0,0|2,0,0]=4 12980 B13R0.275 CCOC(=O)C(F)NCCOCCO 34a_100000211614_100000760018 [0,2,0,0,0,0|2,0,0]=4 12981 B13R0.275 CCOC(=O)C(F)NCCSCCO 2230a_100011219999_100000760018 [0,2,0,0,0,0|2,0,0]=4 12982 B13R0.275 CCOC(=O)C(F)OCCCCCBr 34a_100000746331_100000760018 [0,2,0,0,0,0|1,0,0]=3 12983 B13R0.275 CCOC(=O)C(F)OCCCCCBr 7a_100000746331_100000040065 [0,2,0,0,0,0|1,0,0]=3 12984 B13R0.275 CCOC(=O)C(F)OCCCCCCl 34a_100000746330_100000760018 [0,2,0,0,0,0|1,0,0]=3 12985 B13R0.275 CCOC(=O)C(F)OCCCCCCl 7a_100000746330_100000040065 [0,2,0,0,0,0|1,0,0]=3 12986 B13R0.275 CCOC(=O)C(F)OCCCCCI 34a_200012148887_100000760018 [0,2,0,0,0,0|1,0,0]=3 12987 B13R0.275 CCOC(=O)C(F)OCCCCCI 7a_200012148887_100000040065 [0,2,0,0,0,0|1,0,0]=3 12988 B13R0.275 CCOC(=O)C(F)OCCCCCN 34a_100000762737_100000760018 [0,2,0,0,0,0|1,0,0]=3 12989 B13R0.275 CCOC(=O)C(F)OCCCCOC 34a_100000740925_100000760018 [0,2,0,0,0,0|1,0,0]=3 12990 B13R0.275 CCOC(=O)C(F)OCCCCSC 34a_100011217163_100000760018 [0,2,0,0,0,0|1,0,0]=3 12991 B13R0.275 CCOC(=O)C(F)OCCCCSC 7a_100011217163_100000040065 [0,2,0,0,0,0|1,0,0]=3 12992 B13R0.275 CCOC(=O)C(F)OCCCSCC 34a_100011216438_100000760018 [0,2,0,0,0,0|1,0,0]=3 12993 B13R0.275 CCOC(=O)C(F)OCCCSCC 7a_100011216438_100000040065 [0,2,0,0,0,0|1,0,0]=3 12994 B13R0.275 CCOC(=O)C(F)OCCOCCBr 34a_100000692535_100000760018 [0,2,0,0,0,0|2,0,0]=4 12995 B13R0.275 CCOC(=O)C(F)OCCOCCBr 7a_100000692535_100000040065 [0,2,0,0,0,0|2,0,0]=4 12996 B13R0.275 CCOC(=O)C(F)OCCOCCCl 34a_100011215305_100000760018 [0,2,0,0,0,0|2,0,0]=4 12997 B13R0.275 CCOC(=O)C(F)OCCOCCCl 7a_100011215305_100000040065 [0,2,0,0,0,0|2,0,0]=4 12998 B13R0.275 CCOC(=O)C(F)OCCOCCF 34a_200015357709_100000760018 [0,2,0,0,0,0|2,0,0]=4 12999 B13R0.275 CCOC(=O)C(F)OCCOCCF 7a_200015357709_100000040065 [0,2,0,0,0,0|2,0,0]=4 13000 B13R0.275 CCOC(=O)C(F)OCCOCCI 34a_100012149058_100000760018 [0,2,0,0,0,0|2,0,0]=4 13001 B13R0.275 CCOC(=O)C(F)OCCOCCI 7a_100012149058_100000040065 [0,2,0,0,0,0|2,0,0]=4 13002 B13R0.275 CCOC(=O)C(F)OCCOCCN 34a_100000211614_100000760018 [0,2,0,0,0,0|2,0,0]=4 13003 B13R0.275 CCOC(=O)C(F)SCCCCC#N 62a_100000760018_100000211819 [0,2,0,0,0,0|1,0,1]=4 13004 B13R0.275 CCOC(=O)C(F)SCCCCC#N 62a_100011219923_100000760018 [0,2,0,0,0,0|1,0,1]=4 13005 B13R0.275 CCOC(=O)C(F)SCCCCC=O 62a_100000139335_100000760018 [0,2,0,0,0,0|1,0,1]=4 13006 B13R0.275 CCOC(=O)C(F)SCCCCC=O 62a_100000760018_100000139335 [0,2,0,0,0,0|1,0,1]=4 13007 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000729378_100000760018 [0,2,0,0,0,0|1,0,0]=3 13008 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000760018_100000729378 [0,2,0,0,0,0|1,0,0]=3 13009 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000746330_100000760018 [0,2,0,0,0,0|1,0,0]=3 13010 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000760018_100000746330 [0,2,0,0,0,0|1,0,0]=3 13011 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000730899_100000760018 [0,2,0,0,0,0|1,0,0]=3 13012 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000760018_100000730899 [0,2,0,0,0,0|1,0,0]=3 13013 B13R0.275 CCOC(=O)C(F)SCCOCCO 62a_100000760018_100011215305 [0,2,0,0,0,0|2,0,0]=4 13014 B13R0.275 CCOC(=O)C(F)SCCOCCO 62a_100011215305_100000760018 [0,2,0,0,0,0|2,0,0]=4 13015 B13R0.275 CCOC(=O)C(F)SCOCCOC 62a_100000231047_100000760018 [0,2,0,0,0,0|2,0,0]=4 13016 B13R0.275 CCOC(=O)C(F)SCOCCOC 62a_100000760018_100000231047 [0,2,0,0,0,0|2,0,0]=4 13017 B13R0.275 CCOC(=O)[C@H](C)OCCCCC#N 7a_100000751109_100000211819 [0,2,0,0,0,0|1,0,1]=4 13018 B13R0.275 CCOC(=O)[C@H](C)OCCCCC=O 7a_100000751109_100000139335 [0,2,0,0,0,0|1,0,1]=4 13019 B13R0.275 CCOC(=O)[C@H](C)OCCCCCF 7a_100000751109_100000729378 [0,2,0,0,0,0|1,0,0]=3 13020 B13R0.275 CCOC(=O)[C@H](C)OCCCCCO 7a_100000751109_100000746330 [0,2,0,0,0,0|1,0,0]=3 13021 B13R0.275 CCOC(=O)[C@H](C)OCCCCOC 7a_100000751109_100000730899 [0,2,0,0,0,0|1,0,0]=3 13022 B13R0.275 CCOC(=O)[C@H](C)OCCOCCO 7a_100000751109_100011215305 [0,2,0,0,0,0|2,0,0]=4 13023 B13R0.275 CCOC(C)C(=O)CCCCCC#N 1458a_100000739345_100009813376 [0,2,0,0,0,0|1,0,1]=4 13024 B13R0.275 CCOC(C)C(=O)CCCCCCF 1458a_100000739345_100015922095 [0,2,0,0,0,0|1,0,0]=3 13025 B13R0.275 CCOC(C)C(=O)CCCCCCO 1458a_100000739345_100000766143 [0,2,0,0,0,0|1,0,0]=3 13026 B13R0.275 CCOC(C)C(=O)CCOCCOC 1458a_100000739345_100000695917 [0,2,0,0,0,0|2,0,0]=4 13027 B13R0.275 CCOC(C)C(=O)NCCCCCO 240690a_100000762737_100000739345 [0,2,0,0,0,0|2,0,0]=4 13028 B13R0.275 CCOCCCNC(=O)C(=O)OCC 11a_100000210961_100014798877 [0,2,0,0,0,0|1,0,1]=4 13029 B13R0.275 CCOCCCNC(=O)C(=O)OCC 1626a_100000210961_100014798877 [0,2,0,0,0,0|1,0,1]=4 13030 B13R0.275 CCOCCCNC(=O)C(=O)OCC 240690a_100000210961_100014798877 [0,2,0,0,0,0|1,0,1]=4 13031 B13R0.275 CCOCCCNC(=O)C(C)OCC 11a_100000210961_100000739345 [0,2,0,0,0,0|2,0,0]=4 13032 B13R0.275 CCOCCCNC(=O)C(C)OCC 1626a_100000210961_100000739345 [0,2,0,0,0,0|2,0,0]=4 13033 B13R0.275 CCOCCCNC(=O)C(C)OCC 240690a_100000210961_100000739345 [0,2,0,0,0,0|2,0,0]=4 13034 B13R0.275 CCOCCCNC(=O)C(C)OCC 527a_100000210961_100000739345 [0,2,0,0,0,0|2,0,0]=4 13035 B13R0.275 CCOCCCNC(C)C(=O)OCC 2230a_100000210961_100011215307 [0,2,0,0,0,0|1,0,0]=3 13036 B13R0.275 CCOCCCNC(C)C(=O)OCC 34a_100000210961_100011216346 [0,2,0,0,0,0|1,0,0]=3 13037 B13R0.275 CCOCCCNC(F)C(=O)OCC 2230a_100000210961_100000760018 [0,2,0,0,0,0|1,0,0]=3 13038 B13R0.275 CCOCCCNC(F)C(=O)OCC 34a_100000210961_100000760018 [0,2,0,0,0,0|1,0,0]=3 13039 B13R0.275 CCOCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100012232248 [0,2,0,0,0,0|1,1,0]=4 13040 B13R0.275 CCOCCCOC(C)C(=O)OCC 34a_100000757476_100011216346 [0,2,0,0,0,0|1,0,0]=3 13041 B13R0.275 CCOCCCOC(C)C(=O)OCC 7a_100000757476_100011216346 [0,2,0,0,0,0|1,0,0]=3 13042 B13R0.275 CCOCCCOC(F)C(=O)OCC 34a_100000757476_100000760018 [0,2,0,0,0,0|1,0,0]=3 13043 B13R0.275 CCOCCCOC(F)C(=O)OCC 7a_100000757476_100000040065 [0,2,0,0,0,0|1,0,0]=3 13044 B13R0.275 CCOCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012232248 [0,2,0,0,0,0|1,0,0]=3 13045 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100011216346_100012232248 [0,2,0,0,0,0|1,0,0]=3 13046 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100012232248_100011216346 [0,2,0,0,0,0|1,0,0]=3 13047 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100000760018_100012232248 [0,2,0,0,0,0|1,0,0]=3 13048 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100012232248_100000760018 [0,2,0,0,0,0|1,0,0]=3 13049 B13R0.275 CCOCCSCC(=O)C(=O)OCC 62a_100000210147_100000211299 [0,2,0,0,0,0|1,0,1]=4 13050 B13R0.275 CCOCCSCC(=O)C(=O)OCC 62a_100000211299_100011215890 [0,2,0,0,0,0|1,0,1]=4 13051 B13R0.275 CCSC(=O)[C@H](C)NCCCCCF 2230a_100103168634_100000729378 [0,2,0,0,0,0|1,1,0]=4 13052 B13R0.275 CCSC(=O)[C@H](C)NCCCCCO 2230a_100103168634_100000746330 [0,2,0,0,0,0|1,1,0]=4 13053 B13R0.275 CCSC(=O)[C@H](C)NCCCCOC 2230a_100103168634_100000730899 [0,2,0,0,0,0|1,1,0]=4 13054 B13R0.275 CCSC(C)C(=O)CCCCCCF 1458a_100000230601_100015922095 [0,2,0,0,0,0|1,1,0]=4 13055 B13R0.275 CCSC(C)C(=O)CCCCCCO 1458a_100000230601_100000766143 [0,2,0,0,0,0|1,1,0]=4 13056 B13R0.275 CN(CCO)C(=O)CCCCCCO 240690a_100000210263_100011996774 [0,2,0,0,0,0|2,0,0]=4 13057 B13R0.275 COCC(C)C(=O)CCCCCCF 1458a_100000751857_100015922095 [0,2,0,0,0,0|2,0,0]=4 13058 B13R0.275 COCC(C)C(=O)CCCCCCO 1458a_100000751857_100000766143 [0,2,0,0,0,0|2,0,0]=4 13059 B13R0.275 COCC(C)C(=O)CCCCCCO 1458a_100011996774_100000765312 [0,2,0,0,0,0|2,0,0]=4 13060 B13R0.275 COCCCCCC(=O)C(C)CCO 1458a_100011935119_100009893172 [0,2,0,0,0,0|2,0,0]=4 13061 B13R0.275 COCCCCCC(=O)C(C)COC 1458a_100011935119_100000765312 [0,2,0,0,0,0|2,0,0]=4 13062 B13R0.275 COCCCCCC(=O)N(C)CCO 240690a_100000210263_100011935119 [0,2,0,0,0,0|2,0,0]=4 13063 B13R0.275 COCCCCCC(=O)N(C)CCO 527a_100000210263_100011935119 [0,2,0,0,0,0|2,0,0]=4 13064 B13R0.275 CSCC(C)C(=O)CCCCCCF 1458a_100000753918_100015922095 [0,2,0,0,0,0|2,0,0]=4 13065 B13R0.275 CSCC(C)C(=O)CCCCCCO 1458a_100000753918_100000766143 [0,2,0,0,0,0|2,0,0]=4 13066 B13R0.282 CCCCCCCCC(CC)OCC 34a_200011216270_100000210202 [0,2,0,0,0,0|1,0,1]=4 13067 B13R0.282 CCCCCCCCC(CC)OCC 7a_200011216270_100000210202 [0,2,0,0,0,0|1,0,1]=4 13068 B13R0.282 CCCCCCNCC(CC)OCC 2230a_100015183923_100000210314 [0,2,0,0,0,0|1,0,1]=4 13069 B13R0.282 CCCCCCNCC(CC)OCC 34a_100015183923_100000210314 [0,2,0,0,0,0|1,0,1]=4 13070 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100010269958 [0,2,0,0,0,0|0,0,2]=4 13071 B13R0.330 C#CCCCCC(=O)CC(=O)OCC 1458a_100000696528_100000188475 [0,2,0,0,0,0|0,0,2]=4 13072 B13R0.330 C#CCCCCN(C)CC(=O)OCC 2230a_100000220588_100010269958 [0,2,0,0,0,0|0,0,2]=4 13073 B13R0.330 C#CCCCOC(C)CC(=O)OCC 7a_100000215630_100009817359 [0,2,0,0,0,0|0,0,2]=4 13074 B13R0.330 C#CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215417 [0,2,0,0,0,0|0,0,2]=4 13075 B13R0.330 C#CCCCSC(C)CC(=O)OCC 62a_100009817359_100011215417 [0,2,0,0,0,0|0,0,2]=4 13076 B13R0.330 C#CCCCSC(C)CC(=O)OCC 62a_100011215417_100009817359 [0,2,0,0,0,0|0,0,2]=4 13077 B13R0.330 C#CCCNC[C@@H](O)CC(=O)OCC 34a_100000755551_100000688340 [0,2,0,0,0,0|0,0,2]=4 13078 B13R0.330 C#CCCOC[C@@H](O)CC(=O)OCC 34a_100011215631_100000688340 [0,2,0,0,0,0|0,0,2]=4 13079 B13R0.330 C#CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000688953 [0,2,0,0,0,0|0,0,2]=4 13080 B13R0.330 C#CCCSC[C@@H](O)CC(=O)OCC 62a_100000688953_100000688340 [0,2,0,0,0,0|0,0,2]=4 13081 B13R0.330 C/C=C/COC[C@@H](O)CC(=O)OCC 34a_100016270725_100000688340 [0,2,0,0,0,0|0,0,2]=4 13082 B13R0.330 C/C=C/CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100102629194 [0,2,0,0,0,0|0,0,2]=4 13083 B13R0.330 C/C=C/CSC[C@@H](O)CC(=O)OCC 62a_100102629194_100000688340 [0,2,0,0,0,0|0,0,2]=4 13084 B13R0.330 C=C(CCC)CC(=O)CCCCCC 1458a_100000138376_100000210757 [0,2,0,0,0,0|2,0,0]=4 13085 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215482 [0,2,0,0,0,0|0,0,2]=4 13086 B13R0.330 C=CCCCCC(=O)CC(=O)OCC 1458a_100011215552_100000188475 [0,2,0,0,0,0|0,0,2]=4 13087 B13R0.330 C=CCCCCN(C)CC(=O)OCC 2230a_100000220588_100011215482 [0,2,0,0,0,0|0,0,2]=4 13088 B13R0.330 C=CCCCCN(C)CC(=O)OCC 2230a_100012000471_100000188475 [0,2,0,0,0,0|0,0,2]=4 13089 B13R0.330 C=CCCCCN(C)CC(=O)OCC 269982a_100012000471_100000188475 [0,2,0,0,0,0|0,0,2]=4 13090 B13R0.330 C=CCCCNC(C)CC(=O)OCC 2230a_100000700776_100009817359 [0,2,0,0,0,0|0,0,2]=4 13091 B13R0.330 C=CCCCOC(C)CC(=O)OCC 7a_100000758997_100009817359 [0,2,0,0,0,0|0,0,2]=4 13092 B13R0.330 C=CCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000757094 [0,2,0,0,0,0|0,0,2]=4 13093 B13R0.330 C=CCCCSC(C)CC(=O)OCC 62a_100009817359_100000757094 [0,2,0,0,0,0|0,0,2]=4 13094 B13R0.330 C=CCCCSC(C)CC(=O)OCC 62a_100011713584_100009817359 [0,2,0,0,0,0|0,0,2]=4 13095 B13R0.330 C=CCCOC[C@@H](O)CC(=O)OCC 34a_100011205117_100000688340 [0,2,0,0,0,0|0,0,2]=4 13096 B13R0.330 C=CCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000754431 [0,2,0,0,0,0|0,0,2]=4 13097 B13R0.330 C=CCCSC[C@@H](O)CC(=O)OCC 62a_100000754431_100000688340 [0,2,0,0,0,0|0,0,2]=4 13098 B13R0.330 C=COC(=O)CC(=O)CCCCCC 1458a_100102632555_100000036128 [0,2,0,0,0,0|0,0,2]=4 13099 B13R0.330 C=COC(=O)CN(C)CCCCCC 2230a_106256046315_100000036128 [0,2,0,0,0,0|0,0,2]=4 13100 B13R0.330 C=COC(=O)CN(C)CCCCCC 269982a_106256046315_100000036128 [0,2,0,0,0,0|0,0,2]=4 13101 B13R0.330 CC#CCNC[C@@H](O)CC(=O)OCC 34a_100000685387_100000688340 [0,2,0,0,0,0|0,0,2]=4 13102 B13R0.330 CC#CCOC[C@@H](O)CC(=O)OCC 34a_100000761923_100000688340 [0,2,0,0,0,0|0,0,2]=4 13103 B13R0.330 CC#CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000748600 [0,2,0,0,0,0|0,0,2]=4 13104 B13R0.330 CC#CCSC[C@@H](O)CC(=O)OCC 62a_100000748600_100000688340 [0,2,0,0,0,0|0,0,2]=4 13105 B13R0.330 CC/C=C\CCC(=O)CC(=O)OCC 1458a_100000243816_100015370543 [0,2,0,0,0,0|0,0,2]=4 13106 B13R0.330 CC/C=C\CCN(C)CC(=O)OCC 2230a_100000220588_100015370543 [0,2,0,0,0,0|0,0,2]=4 13107 B13R0.330 CC/C=C\CO[C@H](C)CC(=O)OCC 7a_100009816390_100103147603 [0,2,0,0,0,0|0,0,2]=4 13108 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100009817359_100103147603 [0,2,0,0,0,0|0,0,2]=4 13109 B13R0.330 CC/C=C\CSC(C)CC(=O)OCC 62a_100103147603_100009817359 [0,2,0,0,0,0|0,0,2]=4 13110 B13R0.330 CC=CC(=O)NC(C)CCCCCC 11a_100000210919_100000210699 [0,2,0,0,0,0|1,0,1]=4 13111 B13R0.330 CC=CC(=O)NC(C)CCCCCC 1626a_100000210919_100000210699 [0,2,0,0,0,0|1,0,1]=4 13112 B13R0.330 CC=CC(=O)NC(C)CCCCCC 240690a_100000210919_100000210699 [0,2,0,0,0,0|1,0,1]=4 13113 B13R0.330 CC=CCSC[C@@H](O)CC(=O)OCC 62a_100000070051_100000688340 [0,2,0,0,0,0|0,0,2]=4 13114 B13R0.330 CC=CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000070051 [0,2,0,0,0,0|0,0,2]=4 13115 B13R0.330 CCC#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100009813939 [0,2,0,0,0,0|0,0,2]=4 13116 B13R0.330 CCC#CCSC(C)CC(=O)OCC 62a_100009813939_100009817359 [0,2,0,0,0,0|0,0,2]=4 13117 B13R0.330 CCC#CCSC(C)CC(=O)OCC 62a_100009817359_100009813939 [0,2,0,0,0,0|0,0,2]=4 13118 B13R0.330 CCC/C=C/CC(=O)CC(=O)OCC 1458a_200016266809_100000188475 [0,2,0,0,0,0|0,0,2]=4 13119 B13R0.330 CCCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747444 [0,2,0,0,0,0|1,0,1]=4 13120 B13R0.330 CCCC(=O)CN(C)CCCCCO 2230a_100000722520_100000747444 [0,2,0,0,0,0|2,0,0]=4 13121 B13R0.330 CCCC(=O)CN(C)CCCCCO 269982a_100000722520_100000747444 [0,2,0,0,0,0|2,0,0]=4 13122 B13R0.330 CCCCC=CC(=O)CC(=O)OCC 1458a_100016266645_100000188475 [0,2,0,0,0,0|0,0,2]=4 13123 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [0,2,0,0,0,0|1,0,0]=3 13124 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [0,2,0,0,0,0|1,0,0]=3 13125 B13R0.330 CCCCCCC(=O)CC(=O)NCO 1458a_100102632555_100000185155 [0,2,0,0,0,0|2,0,0]=4 13126 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [0,2,0,0,0,0|0,0,0]=2 13127 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [0,2,0,0,0,0|0,0,0]=2 13128 B13R0.330 CCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210757 [0,2,0,0,0,0|2,0,0]=4 13129 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [0,2,0,0,0,0|1,0,0]=3 13130 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [0,2,0,0,0,0|1,0,0]=3 13131 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [0,2,0,0,0,0|1,0,0]=3 13132 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [0,2,0,0,0,0|1,0,0]=3 13133 B13R0.330 CCCCCCC(C)NC(=O)CCO 240690a_100000210919_100011216618 [0,2,0,0,0,0|2,0,0]=4 13134 B13R0.330 CCCCCCC(C)NC(=O)CNC 2230a_106832991635_100000230341 [0,2,0,0,0,0|2,0,0]=4 13135 B13R0.330 CCCCCCC(C)NC(=O)CNC 34a_100102657272_100000230341 [0,2,0,0,0,0|2,0,0]=4 13136 B13R0.330 CCCCCCC(C)NC(=O)CNC 7a_106832991635_100000230341 [0,2,0,0,0,0|2,0,0]=4 13137 B13R0.330 CCCCCCC(C)NC(=O)COC 11a_100000210919_100000210968 [0,2,0,0,0,0|2,0,0]=4 13138 B13R0.330 CCCCCCC(C)NC(=O)COC 1626a_100000210919_100000210968 [0,2,0,0,0,0|2,0,0]=4 13139 B13R0.330 CCCCCCC(C)NC(=O)COC 240690a_100000210919_100000210968 [0,2,0,0,0,0|2,0,0]=4 13140 B13R0.330 CCCCCCC(C)NC(=O)COC 34a_100138415774_100000230341 [0,2,0,0,0,0|2,0,0]=4 13141 B13R0.330 CCCCCCC(C)NC(=O)COC 527a_100000210919_100000210968 [0,2,0,0,0,0|2,0,0]=4 13142 B13R0.330 CCCCCCC(C)NC(=O)CSC 11a_100000210919_100000184570 [0,2,0,0,0,0|2,0,0]=4 13143 B13R0.330 CCCCCCC(C)NC(=O)CSC 1626a_100000210919_100000184570 [0,2,0,0,0,0|2,0,0]=4 13144 B13R0.330 CCCCCCC(C)NC(=O)CSC 240690a_100000210919_100000184570 [0,2,0,0,0,0|2,0,0]=4 13145 B13R0.330 CCCCCCC(C)NC(=O)CSC 527a_100000210919_100000184570 [0,2,0,0,0,0|2,0,0]=4 13146 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_100000230341_200000210301 [0,2,0,0,0,0|2,0,0]=4 13147 B13R0.330 CCCCCCC(C)NC(=O)CSC 62a_200000210301_100000230341 [0,2,0,0,0,0|2,0,0]=4 13148 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_100000230341_200025704644 [0,2,0,0,0,0|2,0,0]=4 13149 B13R0.330 CCCCCCC(C)NC(=O)CS[13CH3] 62a_200025704644_100000230341 [0,2,0,0,0,0|2,0,0]=4 13150 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [0,2,0,0,0,0|1,0,0]=3 13151 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [0,2,0,0,0,0|1,0,0]=3 13152 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [0,2,0,0,0,0|1,0,0]=3 13153 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [0,2,0,0,0,0|1,0,0]=3 13154 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [0,2,0,0,0,0|1,0,0]=3 13155 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [0,2,0,0,0,0|1,0,0]=3 13156 B13R0.330 CCCCCCC(C)NC(=O)NNC 273464a_100000210919_100016993582 [0,2,0,0,0,0|2,0,0]=4 13157 B13R0.330 CCCCCCC(C)NC(=O)NNC 512a_100000210919_100016993582 [0,2,0,0,0,0|2,0,0]=4 13158 B13R0.330 CCCCCCC(C)NC(=O)NNC 512a_100016993582_100000210919 [0,2,0,0,0,0|2,0,0]=4 13159 B13R0.330 CCCCCCN(C)CC(=O)CCC 2230a_106256046315_100000747444 [0,2,0,0,0,0|1,0,0]=3 13160 B13R0.330 CCCCCCN(C)CC(=O)CCC 269982a_106256046315_100000747444 [0,2,0,0,0,0|1,0,0]=3 13161 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210314 [0,2,0,0,0,0|1,0,0]=3 13162 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_106256046315_100000183381 [0,2,0,0,0,0|1,0,0]=3 13163 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210757 [0,2,0,0,0,0|1,0,0]=3 13164 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_106256046315_100000183381 [0,2,0,0,0,0|1,0,0]=3 13165 B13R0.330 CCCCCCN(C)CC(=O)NCO 2230a_106256046315_100000185155 [0,2,0,0,0,0|2,0,0]=4 13166 B13R0.330 CCCCCCN(C)CC(=O)NCO 269982a_106256046315_100000185155 [0,2,0,0,0,0|2,0,0]=4 13167 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [0,2,0,0,0,0|0,0,0]=2 13168 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [0,2,0,0,0,0|0,0,0]=2 13169 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [0,2,0,0,0,0|0,0,0]=2 13170 B13R0.330 CCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230301 [0,2,0,0,0,0|1,0,1]=4 13171 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [0,2,0,0,0,0|0,0,1]=3 13172 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [0,2,0,0,0,0|0,0,0]=2 13173 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [0,2,0,0,0,0|0,0,0]=2 13174 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [0,2,0,0,0,0|0,0,0]=2 13175 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [0,2,0,0,0,0|0,0,0]=2 13176 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [0,2,0,0,0,0|0,0,0]=2 13177 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [0,2,0,0,0,0|1,0,0]=3 13178 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [0,2,0,0,0,0|1,0,0]=3 13179 B13R0.330 CCCCNCC(=CC(=O)OCC)C 2230a_100000102301_100135422193 [0,2,0,0,0,0|0,0,2]=4 13180 B13R0.330 CCCCNCC(=CC(=O)OCC)C 7a_106832991798_100135422193 [0,2,0,0,0,0|0,0,2]=4 13181 B13R0.330 CCCCNCC(=O)NC(=O)OCC 7a_106832991798_100000010344 [0,2,0,0,0,0|1,0,1]=4 13182 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [0,2,0,0,0,0|0,0,0]=2 13183 B13R0.330 CCCCNNC(=O)CC(=O)OCC 22a_100025702795_100000243816 [0,2,0,0,0,0|1,0,1]=4 13184 B13R0.330 CCCCOCC(=CC(=O)OCC)C 34a_100000210227_100135422193 [0,2,0,0,0,0|0,0,2]=4 13185 B13R0.330 CCCCOCC(=CC(=O)OCC)C 7a_100000210227_100135422193 [0,2,0,0,0,0|0,0,2]=4 13186 B13R0.330 CCCCOCC(=O)CC(=O)CCC 1458a_100000757543_100000747444 [0,2,0,0,0,0|1,0,1]=4 13187 B13R0.330 CCCCOCC(=O)CC(=O)NCC 1458a_100000757543_100000183381 [0,2,0,0,0,0|1,0,1]=4 13188 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [0,2,0,0,0,0|0,0,1]=3 13189 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [0,2,0,0,0,0|0,0,1]=3 13190 B13R0.330 CCCCOCC(=O)NC(=O)OCC 7a_100000210227_100000010344 [0,2,0,0,0,0|1,0,1]=4 13191 B13R0.330 CCCCOCN(C)CC(=O)NCC 2230a_100000741943_100011995733 [0,2,0,0,0,0|2,0,0]=4 13192 B13R0.330 CCCCOCN(C)CC(=O)NCC 269982a_100000741943_100011995733 [0,2,0,0,0,0|2,0,0]=4 13193 B13R0.330 CCCCOCN(C)CC(=O)OCC 2230a_100000220588_100011995733 [0,2,0,0,0,0|1,0,0]=3 13194 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [0,2,0,0,0,0|0,0,0]=2 13195 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [0,2,0,0,0,0|0,0,0]=2 13196 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100000210211_100135422193 [0,2,0,0,0,0|0,0,2]=4 13197 B13R0.330 CCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210210 [0,2,0,0,0,0|0,0,2]=4 13198 B13R0.330 CCCCSCC(=O)CC(=O)CCC 1458a_100000191162_100000747444 [0,2,0,0,0,0|1,0,1]=4 13199 B13R0.330 CCCCSCC(=O)CC(=O)NCC 1458a_100000191162_100000183381 [0,2,0,0,0,0|1,0,1]=4 13200 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [0,2,0,0,0,0|0,0,1]=3 13201 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [0,2,0,0,0,0|0,0,1]=3 13202 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [0,2,0,0,0,0|0,0,1]=3 13203 B13R0.330 CCCCSCC(=O)NC(=O)OCC 62a_100000210211_100000010344 [0,2,0,0,0,0|1,0,1]=4 13204 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [0,2,0,0,0,0|0,0,0]=2 13205 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [0,2,0,0,0,0|0,0,0]=2 13206 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [0,2,0,0,0,0|0,0,1]=3 13207 B13R0.330 CCCOCCN(C)CC(=O)NCC 2230a_100000741943_100011215938 [0,2,0,0,0,0|2,0,0]=4 13208 B13R0.330 CCCOCCN(C)CC(=O)NCC 269982a_100000741943_100011215938 [0,2,0,0,0,0|2,0,0]=4 13209 B13R0.330 CCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215938 [0,2,0,0,0,0|1,0,0]=3 13210 B13R0.330 CCNC(=O)CC(=O)CCCCCO 1458a_100102619762_100000183381 [0,2,0,0,0,0|1,0,1]=4 13211 B13R0.330 CCNC(=O)CN(C)CCCCCF 2230a_100000741943_100000729378 [0,2,0,0,0,0|2,0,0]=4 13212 B13R0.330 CCNC(=O)CN(C)CCCCCF 269982a_100000741943_100000729378 [0,2,0,0,0,0|2,0,0]=4 13213 B13R0.330 CCNC(=O)CN(C)CCCCCO 2230a_100000722520_100000183381 [0,2,0,0,0,0|2,0,0]=4 13214 B13R0.330 CCNC(=O)CN(C)CCCCCO 2230a_100000741943_100000746330 [0,2,0,0,0,0|2,0,0]=4 13215 B13R0.330 CCNC(=O)CN(C)CCCCCO 269982a_100000722520_100000183381 [0,2,0,0,0,0|2,0,0]=4 13216 B13R0.330 CCNC(=O)CN(C)CCCCCO 269982a_100000741943_100000746330 [0,2,0,0,0,0|2,0,0]=4 13217 B13R0.330 CCNC(=O)CN(C)CCCCOC 2230a_100000741943_100000730899 [0,2,0,0,0,0|2,0,0]=4 13218 B13R0.330 CCNC(=O)CN(C)CCCCOC 269982a_100000741943_100000730899 [0,2,0,0,0,0|2,0,0]=4 13219 B13R0.330 CCNC(=O)CN(C)CCCOCC 2230a_100000741943_100012232248 [0,2,0,0,0,0|2,0,0]=4 13220 B13R0.330 CCNC(=O)CN(C)CCCOCC 269982a_100000741943_100012232248 [0,2,0,0,0,0|2,0,0]=4 13221 B13R0.330 CCOC(=O)CC(=O)CCCCC#N 1458a_100000243816_100000211819 [0,2,0,0,0,0|0,0,2]=4 13222 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [0,2,0,0,0,0|0,0,1]=3 13223 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [0,2,0,0,0,0|0,0,1]=3 13224 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [0,2,0,0,0,0|0,0,1]=3 13225 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [0,2,0,0,0,0|0,0,1]=3 13226 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100000243816_100011215305 [0,2,0,0,0,0|1,0,1]=4 13227 B13R0.330 CCOC(=O)CC(=O)CCOCCO 1458a_100011229844_100000188475 [0,2,0,0,0,0|1,0,1]=4 13228 B13R0.330 CCOC(=O)CC(=O)COCCOC 1458a_100000211095_100000188475 [0,2,0,0,0,0|1,0,1]=4 13229 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100000210311_100011934791 [0,2,0,0,0,0|1,0,1]=4 13230 B13R0.330 CCOC(=O)CC(=O)CSCCCF 62a_100011934791_100000210311 [0,2,0,0,0,0|1,0,1]=4 13231 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100000210311_100011215043 [0,2,0,0,0,0|1,0,1]=4 13232 B13R0.330 CCOC(=O)CC(=O)CSCCCO 62a_100011215043_100000210311 [0,2,0,0,0,0|1,0,1]=4 13233 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000210311_100000233755 [0,2,0,0,0,0|1,0,1]=4 13234 B13R0.330 CCOC(=O)CC(=O)CSCCOC 62a_100000233755_100000210311 [0,2,0,0,0,0|1,0,1]=4 13235 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000210311_100000751147 [0,2,0,0,0,0|1,0,1]=4 13236 B13R0.330 CCOC(=O)CC(=O)CSCCSC 62a_100000212216_100000210311 [0,2,0,0,0,0|1,0,1]=4 13237 B13R0.330 CCOC(=O)CC(=O)NCCCCO 240690a_100000750430_100000243816 [0,2,0,0,0,0|1,0,1]=4 13238 B13R0.330 CCOC(=O)CC(=O)NCCCOC 240690a_100150723488_100000243816 [0,2,0,0,0,0|1,0,1]=4 13239 B13R0.330 CCOC(=O)CC(=O)NCCCSC 240690a_100000749238_100000243816 [0,2,0,0,0,0|1,0,1]=4 13240 B13R0.330 CCOC(=O)CC(=O)NCCSCC 240690a_100000106463_100000243816 [0,2,0,0,0,0|1,0,1]=4 13241 B13R0.330 CCOC(=O)CC(C)NCCCCO 2230a_100000750430_100009817359 [0,2,0,0,0,0|1,0,0]=3 13242 B13R0.330 CCOC(=O)CC(C)NCCCSC 2230a_100000749238_100009817359 [0,2,0,0,0,0|1,0,0]=3 13243 B13R0.330 CCOC(=O)CC(C)NCCSCC 2230a_100000106463_100009817359 [0,2,0,0,0,0|1,0,0]=3 13244 B13R0.330 CCOC(=O)CC(C)OCCCCCl 7a_100000210776_100009817359 [0,2,0,0,0,0|1,0,0]=3 13245 B13R0.330 CCOC(=O)CC(C)OCCCCF 7a_100011995726_100009817359 [0,2,0,0,0,0|1,0,0]=3 13246 B13R0.330 CCOC(=O)CC(C)OCCCSC 7a_100000690336_100009817359 [0,2,0,0,0,0|1,0,0]=3 13247 B13R0.330 CCOC(=O)CC(C)OCCSCC 7a_100000212035_100009817359 [0,2,0,0,0,0|1,0,0]=3 13248 B13R0.330 CCOC(=O)CC(C)SCCCC#N 62a_100000687738_100009817359 [0,2,0,0,0,0|1,0,1]=4 13249 B13R0.330 CCOC(=O)CC(C)SCCCC#N 62a_100009817359_100000687738 [0,2,0,0,0,0|1,0,1]=4 13250 B13R0.330 CCOC(=O)CC(C)SCCCC=O 62a_100009817359_200011292268 [0,2,0,0,0,0|1,0,1]=4 13251 B13R0.330 CCOC(=O)CC(C)SCCCC=O 62a_200011292268_100009817359 [0,2,0,0,0,0|1,0,1]=4 13252 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100000729493_100009817359 [0,2,0,0,0,0|1,0,0]=3 13253 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100009817359_100000729493 [0,2,0,0,0,0|1,0,0]=3 13254 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100000210776_100009817359 [0,2,0,0,0,0|1,0,0]=3 13255 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100009817359_100000210776 [0,2,0,0,0,0|1,0,0]=3 13256 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100000709357_100009817359 [0,2,0,0,0,0|1,0,0]=3 13257 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100009817359_100000709357 [0,2,0,0,0,0|1,0,0]=3 13258 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100000757381_100009817359 [0,2,0,0,0,0|1,0,0]=3 13259 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100009817359_100000757381 [0,2,0,0,0,0|1,0,0]=3 13260 B13R0.330 CCOC(=O)CN(C)CCCCC#N 2230a_100000220588_100000211819 [0,2,0,0,0,0|1,0,1]=4 13261 B13R0.330 CCOC(=O)CN(C)CCCCC=O 2230a_100000220588_100000139335 [0,2,0,0,0,0|1,0,1]=4 13262 B13R0.330 CCOC(=O)CN(C)CCCCCF 2230a_100000220588_100000729378 [0,2,0,0,0,0|1,0,0]=3 13263 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000220588_100000746330 [0,2,0,0,0,0|1,0,0]=3 13264 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000722520_100000188475 [0,2,0,0,0,0|1,0,0]=3 13265 B13R0.330 CCOC(=O)CN(C)CCCCCO 269982a_100000722520_100000188475 [0,2,0,0,0,0|1,0,0]=3 13266 B13R0.330 CCOC(=O)CN(C)CCCCOC 2230a_100000220588_100000730899 [0,2,0,0,0,0|1,0,0]=3 13267 B13R0.330 CCOC(=O)CN(C)CCOCCO 2230a_100000220588_100011215305 [0,2,0,0,0,0|2,0,0]=4 13268 B13R0.330 CCOC(=O)CN(C)CCOCCO 2230a_100000228057_100000188475 [0,2,0,0,0,0|2,0,0]=4 13269 B13R0.330 CCOC(=O)CN(C)CCOCCO 269982a_100000228057_100000188475 [0,2,0,0,0,0|2,0,0]=4 13270 B13R0.330 CCOC(=O)CN(C)COCCOC 2230a_100000220588_100000231047 [0,2,0,0,0,0|2,0,0]=4 13271 B13R0.330 CCOC(=O)C[C@@H](C)OCCCC#N 7a_100009816390_100000687738 [0,2,0,0,0,0|1,0,1]=4 13272 B13R0.330 CCOC(=O)C[C@@H](C)OCCCC=O 7a_100009816390_200011292268 [0,2,0,0,0,0|1,0,1]=4 13273 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCF 7a_100009816390_100000729493 [0,2,0,0,0,0|1,0,0]=3 13274 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCO 7a_100009816390_100000210776 [0,2,0,0,0,0|1,0,0]=3 13275 B13R0.330 CCOC(=O)C[C@@H](C)OCCCOC 7a_100009816390_100000740836 [0,2,0,0,0,0|1,0,0]=3 13276 B13R0.330 CCOC(=O)C[C@@H](C)OCCSCC 7a_100009816390_100000757381 [0,2,0,0,0,0|1,0,0]=3 13277 B13R0.330 CCOC(=O)C[C@H](O)CNCCCF 34a_100015189416_100000688340 [0,2,0,0,0,0|1,0,0]=3 13278 B13R0.330 CCOC(=O)C[C@H](O)COCCCBr 34a_100011217188_100000688340 [0,2,0,0,0,0|1,0,0]=3 13279 B13R0.330 CCOC(=O)C[C@H](O)COCCCCl 34a_100000230001_100000688340 [0,2,0,0,0,0|1,0,0]=3 13280 B13R0.330 CCOC(=O)C[C@H](O)COCCCF 34a_100000759539_100000688340 [0,2,0,0,0,0|1,0,0]=3 13281 B13R0.330 CCOC(=O)C[C@H](O)COCCCN 34a_100000182051_100000688340 [0,2,0,0,0,0|1,0,0]=3 13282 B13R0.330 CCOC(=O)C[C@H](O)COCCOC 34a_100000210237_100000688340 [0,2,0,0,0,0|1,0,0]=3 13283 B13R0.330 CCOC(=O)C[C@H](O)COCCON 34a_100000700252_100000688340 [0,2,0,0,0,0|2,0,0]=4 13284 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 34a_100000230434_100000688340 [0,2,0,0,0,0|1,0,0]=3 13285 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 7a_100000230434_100000688340 [0,2,0,0,0,0|1,0,0]=3 13286 B13R0.330 CCOC(=O)C[C@H](O)CSCCC#N 62a_100000688340_100011215226 [0,2,0,0,0,0|1,0,1]=4 13287 B13R0.330 CCOC(=O)C[C@H](O)CSCCC#N 62a_100011215226_100000688340 [0,2,0,0,0,0|1,0,1]=4 13288 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100000688340_100011934791 [0,2,0,0,0,0|1,0,0]=3 13289 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100011934791_100000688340 [0,2,0,0,0,0|1,0,0]=3 13290 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100000688340_100011215043 [0,2,0,0,0,0|1,0,0]=3 13291 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100011215043_100000688340 [0,2,0,0,0,0|1,0,0]=3 13292 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000233755_100000688340 [0,2,0,0,0,0|1,0,0]=3 13293 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000688340_100000233755 [0,2,0,0,0,0|1,0,0]=3 13294 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000212216_100000688340 [0,2,0,0,0,0|1,0,0]=3 13295 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000688340_100000751147 [0,2,0,0,0,0|1,0,0]=3 13296 B13R0.330 CCOC(=O)OC(C)SCCCCF 62a_100000036008_100000729493 [0,2,0,0,0,0|2,0,0]=4 13297 B13R0.330 CCOC(=O)OC(C)SCCCCF 62a_100000729493_100000036008 [0,2,0,0,0,0|2,0,0]=4 13298 B13R0.330 CCOC(=O)OC(C)SCCCCO 62a_100000036008_100000210776 [0,2,0,0,0,0|2,0,0]=4 13299 B13R0.330 CCOC(=O)OC(C)SCCCCO 62a_100000210776_100000036008 [0,2,0,0,0,0|2,0,0]=4 13300 B13R0.330 CCOC(=O)OC(C)SCCCOC 62a_100000036008_100000709357 [0,2,0,0,0,0|2,0,0]=4 13301 B13R0.330 CCOC(=O)OC(C)SCCCOC 62a_100000709357_100000036008 [0,2,0,0,0,0|2,0,0]=4 13302 B13R0.330 CCOC(=O)OC(C)SCCSCC 62a_100000036008_100000757381 [0,2,0,0,0,0|2,0,0]=4 13303 B13R0.330 CCOC(=O)OC(C)SCCSCC 62a_100000757381_100000036008 [0,2,0,0,0,0|2,0,0]=4 13304 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [0,2,0,0,0,0|0,0,1]=3 13305 B13R0.330 CCOCCCN(C)CC(=O)OCC 2230a_100000220588_100012232248 [0,2,0,0,0,0|1,0,0]=3 13306 B13R0.330 CCOCCNC(=O)CC(=O)OCC 240690a_100011200944_100000243816 [0,2,0,0,0,0|1,0,1]=4 13307 B13R0.330 CCOCCNC(C)CC(=O)OCC 2230a_102516460346_100009817359 [0,2,0,0,0,0|1,0,0]=3 13308 B13R0.330 CCOCCOC(C)CC(=O)OCC 7a_100000210136_100009817359 [0,2,0,0,0,0|1,0,0]=3 13309 B13R0.330 CCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215890 [0,2,0,0,0,0|1,0,0]=3 13310 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100000210147_100009817359 [0,2,0,0,0,0|1,0,0]=3 13311 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215890 [0,2,0,0,0,0|1,0,0]=3 13312 B13R0.330 CCOCCSC(C)OC(=O)OCC 62a_100000036008_100011215890 [0,2,0,0,0,0|2,0,0]=4 13313 B13R0.330 CCOCCSC(C)OC(=O)OCC 62a_100000210147_100000036008 [0,2,0,0,0,0|2,0,0]=4 13314 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000210311_100000739092 [0,2,0,0,0,0|1,0,1]=4 13315 B13R0.330 CCOCSCC(=O)CC(=O)OCC 62a_100000739092_100000210311 [0,2,0,0,0,0|1,0,1]=4 13316 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000739092 [0,2,0,0,0,0|1,0,0]=3 13317 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000739092_100000688340 [0,2,0,0,0,0|1,0,0]=3 13318 B13R0.335 C#CCCCCCCC(=O)CC(C)C 1458a_100000034748_100000210624 [0,2,0,0,0,0|1,0,1]=4 13319 B13R0.335 C#CCCCCCCC(=O)CC(C)C 1458a_100000210554_100012276617 [0,2,0,0,0,0|1,0,1]=4 13320 B13R0.335 C#CCCCCCCC(=O)CC(C)O 1458a_100000034748_100011218427 [0,2,0,0,0,0|1,0,1]=4 13321 B13R0.335 C#CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012276617 [0,2,0,0,0,0|1,0,1]=4 13322 B13R0.335 C#CCCCCCCC(=O)NC(C)C 11a_100138425928_100000034748 [0,2,0,0,0,0|1,0,1]=4 13323 B13R0.335 C#CCCCCCCC(=O)NC(C)C 1626a_100138425928_100000034748 [0,2,0,0,0,0|1,0,1]=4 13324 B13R0.335 C#CCCCCCCC(=O)NC(C)C 240690a_100138425928_100000034748 [0,2,0,0,0,0|1,0,1]=4 13325 B13R0.335 C#CCCCCCCC(=O)NC(C)C 527a_100138425928_100000034748 [0,2,0,0,0,0|1,0,1]=4 13326 B13R0.335 C#CCCCCNCC(=O)OC(C)C 2230a_100000706060_100011215430 [0,2,0,0,0,0|0,0,2]=4 13327 B13R0.335 C#CCCCCNCC(=O)OC(C)C 34a_100000706060_100011215430 [0,2,0,0,0,0|0,0,2]=4 13328 B13R0.335 C#CCCCCOCC(=O)OC(C)C 34a_100000766709_100011215430 [0,2,0,0,0,0|0,0,2]=4 13329 B13R0.335 C#CCCCCOCC(=O)OC(C)C 7a_100000766709_100011215430 [0,2,0,0,0,0|0,0,2]=4 13330 B13R0.335 C#CCCCCSCC(=O)OC(C)C 62a_100010269958_100011215430 [0,2,0,0,0,0|0,0,2]=4 13331 B13R0.335 C#CCCCCSCC(=O)OC(C)C 62a_100011215430_100010269958 [0,2,0,0,0,0|0,0,2]=4 13332 B13R0.335 C#CCCCOCCC(=O)OC(C)C 7a_100000215630_100000760027 [0,2,0,0,0,0|0,0,2]=4 13333 B13R0.335 C#CCCCSCCC(=O)OC(C)C 62a_100000760027_100011215417 [0,2,0,0,0,0|0,0,2]=4 13334 B13R0.335 C#CCCCSCCC(=O)OC(C)C 62a_100011215417_100000760027 [0,2,0,0,0,0|0,0,2]=4 13335 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [0,2,0,0,0,0|1,0,1]=4 13336 B13R0.335 C=C(C)CC(=O)CCCCCCCO 1458a_100011219782_100000748629 [0,2,0,0,0,0|1,0,1]=4 13337 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215473 [0,2,0,0,0,0|1,0,1]=4 13338 B13R0.335 C=CCCCCCCC(=O)CC(C)C 1458a_100011809334_100000210624 [0,2,0,0,0,0|1,0,1]=4 13339 B13R0.335 C=CCCCCCCC(=O)CC(C)O 1458a_100011809334_100011218427 [0,2,0,0,0,0|1,0,1]=4 13340 B13R0.335 C=CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215473 [0,2,0,0,0,0|1,0,1]=4 13341 B13R0.335 C=CCCCCCCC(=O)NC(C)C 11a_100138425928_100011809334 [0,2,0,0,0,0|1,0,1]=4 13342 B13R0.335 C=CCCCCCCC(=O)NC(C)C 1626a_100138425928_100011809334 [0,2,0,0,0,0|1,0,1]=4 13343 B13R0.335 C=CCCCCCCC(=O)NC(C)C 240690a_100138425928_100011809334 [0,2,0,0,0,0|1,0,1]=4 13344 B13R0.335 C=CCCCCCCC(=O)NC(C)C 527a_100138425928_100011809334 [0,2,0,0,0,0|1,0,1]=4 13345 B13R0.335 C=CCCCCNCC(=O)OC(C)C 2230a_100000703577_100011215430 [0,2,0,0,0,0|0,0,2]=4 13346 B13R0.335 C=CCCCCNCC(=O)OC(C)C 34a_100000703577_100011215430 [0,2,0,0,0,0|0,0,2]=4 13347 B13R0.335 C=CCCCCOCC(=O)OC(C)C 34a_100000766645_100011215430 [0,2,0,0,0,0|0,0,2]=4 13348 B13R0.335 C=CCCCCOCC(=O)OC(C)C 7a_100000766645_100011215430 [0,2,0,0,0,0|0,0,2]=4 13349 B13R0.335 C=CCCCCSCC(=O)OC(C)C 62a_100011215430_100011215482 [0,2,0,0,0,0|0,0,2]=4 13350 B13R0.335 C=CCCCCSCC(=O)OC(C)C 62a_100011215482_100011215430 [0,2,0,0,0,0|0,0,2]=4 13351 B13R0.335 C=CCCCNCCC(=O)OC(C)C 2230a_100000700776_100000760027 [0,2,0,0,0,0|0,0,2]=4 13352 B13R0.335 C=CCCCOCCC(=O)OC(C)C 7a_100000758997_100000760027 [0,2,0,0,0,0|0,0,2]=4 13353 B13R0.335 C=CCCCSCCC(=O)OC(C)C 62a_100000760027_100000757094 [0,2,0,0,0,0|0,0,2]=4 13354 B13R0.335 C=CCCCSCCC(=O)OC(C)C 62a_100011713584_100000760027 [0,2,0,0,0,0|0,0,2]=4 13355 B13R0.335 CC(=CC(=O)CCCCCCCO)C 1458a_100000211388_100000760002 [0,2,0,0,0,0|1,0,1]=4 13356 B13R0.335 CC(=CC(=O)CCCCCCCO)Cl 1458a_200042562850_100000760002 [0,2,0,0,0,0|1,0,1]=4 13357 B13R0.335 CC(=CC(=O)CCCCCCCO)I 1458a_100025716642_100000760002 [0,2,0,0,0,0|1,0,1]=4 13358 B13R0.335 CC(C)CC(=O)CCCCCCC#N 1458a_100000210554_100009813337 [0,2,0,0,0,0|1,0,1]=4 13359 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100000210554_100000760002 [0,2,0,0,0,0|1,0,0]=3 13360 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100011219782_100000210624 [0,2,0,0,0,0|1,0,0]=3 13361 B13R0.335 CC(C)CC(=O)NCCCCCCO 240690a_100000686447_100000210554 [0,2,0,0,0,0|2,0,0]=4 13362 B13R0.335 CC(C)CC(=O)NCCCCCCO 527a_100000686447_100000210554 [0,2,0,0,0,0|2,0,0]=4 13363 B13R0.335 CC(C)NC(=O)CCCCCCCO 240690a_100138425928_100011219782 [0,2,0,0,0,0|1,0,0]=3 13364 B13R0.335 CC(C)NC(=O)CCNCCCCO 2230a_100000750430_100000737564 [0,2,0,0,0,0|2,0,0]=4 13365 B13R0.335 CC(C)NC(=O)CCOCCCCCl 7a_100000210776_100000737564 [0,2,0,0,0,0|2,0,0]=4 13366 B13R0.335 CC(C)NC(=O)CCOCCCCF 7a_100011995726_100000737564 [0,2,0,0,0,0|2,0,0]=4 13367 B13R0.335 CC(C)NC(=O)CCSCCCCF 62a_100000729493_100000737564 [0,2,0,0,0,0|2,0,0]=4 13368 B13R0.335 CC(C)NC(=O)CCSCCCCF 62a_100000737564_100000729493 [0,2,0,0,0,0|2,0,0]=4 13369 B13R0.335 CC(C)NC(=O)CCSCCCCO 62a_100000210776_100000737564 [0,2,0,0,0,0|2,0,0]=4 13370 B13R0.335 CC(C)NC(=O)CCSCCCCO 62a_100000737564_100000210776 [0,2,0,0,0,0|2,0,0]=4 13371 B13R0.335 CC(C)NC(=O)CNCCCCCF 2230a_100000168517_100000729378 [0,2,0,0,0,0|2,0,0]=4 13372 B13R0.335 CC(C)NC(=O)CNCCCCCO 2230a_100000168517_100000746330 [0,2,0,0,0,0|2,0,0]=4 13373 B13R0.335 CC(C)NC(=O)CNCCCCCO 2230a_100000762737_100000183996 [0,2,0,0,0,0|2,0,0]=4 13374 B13R0.335 CC(C)NC(=O)CNCCCCCO 34a_100000762737_100000183996 [0,2,0,0,0,0|2,0,0]=4 13375 B13R0.335 CC(C)NC(=O)COCCCCCBr 34a_100000746331_100000183996 [0,2,0,0,0,0|2,0,0]=4 13376 B13R0.335 CC(C)NC(=O)COCCCCCBr 7a_100000746331_100000183996 [0,2,0,0,0,0|2,0,0]=4 13377 B13R0.335 CC(C)NC(=O)COCCCCCCl 34a_100000746330_100000183996 [0,2,0,0,0,0|2,0,0]=4 13378 B13R0.335 CC(C)NC(=O)COCCCCCCl 7a_100000746330_100000183996 [0,2,0,0,0,0|2,0,0]=4 13379 B13R0.335 CC(C)NC(=O)COCCCCCI 34a_200012148887_100000183996 [0,2,0,0,0,0|2,0,0]=4 13380 B13R0.335 CC(C)NC(=O)COCCCCCI 7a_200012148887_100000183996 [0,2,0,0,0,0|2,0,0]=4 13381 B13R0.335 CC(C)NC(=O)COCCCCCN 34a_100000762737_100000183996 [0,2,0,0,0,0|2,0,0]=4 13382 B13R0.335 CC(C)NC(=O)CSCCCCCF 62a_100000183996_100000729378 [0,2,0,0,0,0|2,0,0]=4 13383 B13R0.335 CC(C)NC(=O)CSCCCCCF 62a_100000729378_100000183996 [0,2,0,0,0,0|2,0,0]=4 13384 B13R0.335 CC(C)NC(=O)CSCCCCCO 62a_100000183996_100000746330 [0,2,0,0,0,0|2,0,0]=4 13385 B13R0.335 CC(C)NC(=O)CSCCCCCO 62a_100000746330_100000183996 [0,2,0,0,0,0|2,0,0]=4 13386 B13R0.335 CC(C)NC(=O)NCCCCCCO 2708a_100138425928_100000686447 [0,2,0,0,0,0|2,0,0]=4 13387 B13R0.335 CC(C)NC(=O)NCCCCCCO 273464a_100138425928_100000686447 [0,2,0,0,0,0|2,0,0]=4 13388 B13R0.335 CC(C)NC(=O)NCCCCCCO 512a_100000686447_100138425928 [0,2,0,0,0,0|2,0,0]=4 13389 B13R0.335 CC(C)NC(=O)NCCCCCCO 512a_100138425928_100000686447 [0,2,0,0,0,0|2,0,0]=4 13390 B13R0.335 CC(C)OC(=O)CCCCCSCF 62a_100015361967_200010986244 [0,2,0,0,0,0|1,0,0]=3 13391 B13R0.335 CC(C)OC(=O)CCCCCSCF 62a_200010986244_100015361967 [0,2,0,0,0,0|1,0,0]=3 13392 B13R0.335 CC(C)OC(=O)CCNCCCCO 2230a_100000750430_100000760027 [0,2,0,0,0,0|1,0,0]=3 13393 B13R0.335 CC(C)OC(=O)CCOCCCCCl 7a_100000210776_100000760027 [0,2,0,0,0,0|1,0,0]=3 13394 B13R0.335 CC(C)OC(=O)CCOCCCCF 7a_100011995726_100000760027 [0,2,0,0,0,0|1,0,0]=3 13395 B13R0.335 CC(C)OC(=O)CCSCCCC#N 62a_100000687738_100000760027 [0,2,0,0,0,0|1,0,1]=4 13396 B13R0.335 CC(C)OC(=O)CCSCCCC#N 62a_100000760027_100000687738 [0,2,0,0,0,0|1,0,1]=4 13397 B13R0.335 CC(C)OC(=O)CCSCCCC=O 62a_100000760027_200011292268 [0,2,0,0,0,0|1,0,1]=4 13398 B13R0.335 CC(C)OC(=O)CCSCCCC=O 62a_200011292268_100000760027 [0,2,0,0,0,0|1,0,1]=4 13399 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000729493_100000760027 [0,2,0,0,0,0|1,0,0]=3 13400 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000760027_100000729493 [0,2,0,0,0,0|1,0,0]=3 13401 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000210776_100000760027 [0,2,0,0,0,0|1,0,0]=3 13402 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000760027_100000210776 [0,2,0,0,0,0|1,0,0]=3 13403 B13R0.335 CC(C)OC(=O)CNCCCCCO 2230a_100000762737_100011215430 [0,2,0,0,0,0|1,0,0]=3 13404 B13R0.335 CC(C)OC(=O)CNCCCCCO 34a_100000762737_100011215430 [0,2,0,0,0,0|1,0,0]=3 13405 B13R0.335 CC(C)OC(=O)CNCCOCCO 2230a_100000211614_100011215430 [0,2,0,0,0,0|2,0,0]=4 13406 B13R0.335 CC(C)OC(=O)CNCCOCCO 34a_100000211614_100011215430 [0,2,0,0,0,0|2,0,0]=4 13407 B13R0.335 CC(C)OC(=O)CNCCSCCO 2230a_100011219999_100011215430 [0,2,0,0,0,0|2,0,0]=4 13408 B13R0.335 CC(C)OC(=O)COCCCCCBr 34a_100000746331_100011215430 [0,2,0,0,0,0|1,0,0]=3 13409 B13R0.335 CC(C)OC(=O)COCCCCCBr 7a_100000746331_100011215430 [0,2,0,0,0,0|1,0,0]=3 13410 B13R0.335 CC(C)OC(=O)COCCCCCCl 34a_100000746330_100011215430 [0,2,0,0,0,0|1,0,0]=3 13411 B13R0.335 CC(C)OC(=O)COCCCCCCl 7a_100000746330_100011215430 [0,2,0,0,0,0|1,0,0]=3 13412 B13R0.335 CC(C)OC(=O)COCCCCCI 34a_200012148887_100011215430 [0,2,0,0,0,0|1,0,0]=3 13413 B13R0.335 CC(C)OC(=O)COCCCCCI 7a_200012148887_100011215430 [0,2,0,0,0,0|1,0,0]=3 13414 B13R0.335 CC(C)OC(=O)COCCCCCN 34a_100000762737_100011215430 [0,2,0,0,0,0|1,0,0]=3 13415 B13R0.335 CC(C)OC(=O)COCCOCCBr 34a_100000692535_100011215430 [0,2,0,0,0,0|2,0,0]=4 13416 B13R0.335 CC(C)OC(=O)COCCOCCBr 7a_100000692535_100011215430 [0,2,0,0,0,0|2,0,0]=4 13417 B13R0.335 CC(C)OC(=O)COCCOCCCl 34a_100011215305_100011215430 [0,2,0,0,0,0|2,0,0]=4 13418 B13R0.335 CC(C)OC(=O)COCCOCCCl 7a_100011215305_100011215430 [0,2,0,0,0,0|2,0,0]=4 13419 B13R0.335 CC(C)OC(=O)COCCOCCF 34a_200015357709_100011215430 [0,2,0,0,0,0|2,0,0]=4 13420 B13R0.335 CC(C)OC(=O)COCCOCCF 7a_200015357709_100011215430 [0,2,0,0,0,0|2,0,0]=4 13421 B13R0.335 CC(C)OC(=O)COCCOCCI 34a_100012149058_100011215430 [0,2,0,0,0,0|2,0,0]=4 13422 B13R0.335 CC(C)OC(=O)COCCOCCI 7a_100012149058_100011215430 [0,2,0,0,0,0|2,0,0]=4 13423 B13R0.335 CC(C)OC(=O)COCCOCCN 34a_100000211614_100011215430 [0,2,0,0,0,0|2,0,0]=4 13424 B13R0.335 CC(C)OC(=O)CSCCCCC#N 62a_100011215430_100000211819 [0,2,0,0,0,0|1,0,1]=4 13425 B13R0.335 CC(C)OC(=O)CSCCCCC#N 62a_100011219923_100011215430 [0,2,0,0,0,0|1,0,1]=4 13426 B13R0.335 CC(C)OC(=O)CSCCCCC=O 62a_100000139335_100011215430 [0,2,0,0,0,0|1,0,1]=4 13427 B13R0.335 CC(C)OC(=O)CSCCCCC=O 62a_100011215430_100000139335 [0,2,0,0,0,0|1,0,1]=4 13428 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100000729378_100011215430 [0,2,0,0,0,0|1,0,0]=3 13429 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100011215430_100000729378 [0,2,0,0,0,0|1,0,0]=3 13430 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100000746330_100011215430 [0,2,0,0,0,0|1,0,0]=3 13431 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100011215430_100000746330 [0,2,0,0,0,0|1,0,0]=3 13432 B13R0.335 CC(C)OC(=O)CSCCOCCO 62a_100011215305_100011215430 [0,2,0,0,0,0|2,0,0]=4 13433 B13R0.335 CC(C)OC(=O)CSCCOCCO 62a_100011215430_100011215305 [0,2,0,0,0,0|2,0,0]=4 13434 B13R0.335 CC(C)OC(=O)OCSCCCCF 62a_100000003507_100000729493 [0,2,0,0,0,0|2,0,0]=4 13435 B13R0.335 CC(C)OC(=O)OCSCCCCF 62a_100000729493_100000003507 [0,2,0,0,0,0|2,0,0]=4 13436 B13R0.335 CC(C)OC(=O)OCSCCCCO 62a_100000003507_100000210776 [0,2,0,0,0,0|2,0,0]=4 13437 B13R0.335 CC(C)OC(=O)OCSCCCCO 62a_100000210776_100000003507 [0,2,0,0,0,0|2,0,0]=4 13438 B13R0.335 CC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218427 [0,2,0,0,0,0|1,0,0]=3 13439 B13R0.335 CC/C=C\CCOCC(=O)OC(C)C 34a_100016288707_100011215430 [0,2,0,0,0,0|0,0,2]=4 13440 B13R0.335 CC/C=C\CCOCC(=O)OC(C)C 7a_100016288707_100011215430 [0,2,0,0,0,0|0,0,2]=4 13441 B13R0.335 CC/C=C\CCSCC(=O)OC(C)C 62a_100011215430_100015370543 [0,2,0,0,0,0|0,0,2]=4 13442 B13R0.335 CC/C=C\CCSCC(=O)OC(C)C 62a_100015370543_100011215430 [0,2,0,0,0,0|0,0,2]=4 13443 B13R0.335 CC/C=C\CSCCC(=O)OC(C)C 62a_100000760027_100103147603 [0,2,0,0,0,0|0,0,2]=4 13444 B13R0.335 CC/C=C\CSCCC(=O)OC(C)C 62a_100103147603_100000760027 [0,2,0,0,0,0|0,0,2]=4 13445 B13R0.335 CC=CCCCOCC(=O)OC(C)C 34a_100020645299_100011215430 [0,2,0,0,0,0|0,0,2]=4 13446 B13R0.335 CCC#CCCOCC(=O)OC(C)C 34a_100000036655_100011215430 [0,2,0,0,0,0|0,0,2]=4 13447 B13R0.335 CCC#CCCOCC(=O)OC(C)C 7a_100000036655_100011215430 [0,2,0,0,0,0|0,0,2]=4 13448 B13R0.335 CCC#CCSCCC(=O)OC(C)C 62a_100000760027_100009813939 [0,2,0,0,0,0|0,0,2]=4 13449 B13R0.335 CCC#CCSCCC(=O)OC(C)C 62a_100009813939_100000760027 [0,2,0,0,0,0|0,0,2]=4 13450 B13R0.335 CCC/C=C/COCC(=O)OC(C)C 34a_100016278788_100011215430 [0,2,0,0,0,0|0,0,2]=4 13451 B13R0.335 CCC/C=C/COCC(=O)OC(C)C 7a_100016278788_100011215430 [0,2,0,0,0,0|0,0,2]=4 13452 B13R0.335 CCCC#CCOCC(=O)OC(C)C 34a_100000034806_100011215430 [0,2,0,0,0,0|0,0,2]=4 13453 B13R0.335 CCCC#CCOCC(=O)OC(C)C 7a_100000034806_100011215430 [0,2,0,0,0,0|0,0,2]=4 13454 B13R0.335 CCCCC/C=C/CC(=O)CC(C)C 1458a_100020675968_100000210624 [0,2,0,0,0,0|1,0,1]=4 13455 B13R0.335 CCCCC/C=C/CC(=O)CC(C)O 1458a_100020675968_100011218427 [0,2,0,0,0,0|1,0,1]=4 13456 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 11a_100138425928_100020675968 [0,2,0,0,0,0|1,0,1]=4 13457 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_100020675968 [0,2,0,0,0,0|1,0,1]=4 13458 B13R0.335 CCCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_100020675968 [0,2,0,0,0,0|1,0,1]=4 13459 B13R0.335 CCCCCC#CCC(=O)CC(C)C 1458a_100000210554_100009816472 [0,2,0,0,0,0|1,0,1]=4 13460 B13R0.335 CCCCCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009816472 [0,2,0,0,0,0|1,0,1]=4 13461 B13R0.335 CCCCCCC=CC(=O)CC(C)C 1458a_200015324643_100000210624 [0,2,0,0,0,0|1,0,1]=4 13462 B13R0.335 CCCCCCC=CC(=O)CC(C)O 1458a_200015324643_100011218427 [0,2,0,0,0,0|1,0,1]=4 13463 B13R0.335 CCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015324643 [0,2,0,0,0,0|1,0,1]=4 13464 B13R0.335 CCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015324643 [0,2,0,0,0,0|1,0,1]=4 13465 B13R0.335 CCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015324643 [0,2,0,0,0,0|1,0,1]=4 13466 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [0,2,0,0,0,0|1,0,1]=4 13467 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [0,2,0,0,0,0|1,0,1]=4 13468 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [0,2,0,0,0,0|1,0,1]=4 13469 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [0,2,0,0,0,0|1,0,0]=3 13470 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [0,2,0,0,0,0|1,0,0]=3 13471 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [0,2,0,0,0,0|1,0,0]=3 13472 B13R0.335 CCCCCCCCC(=O)CC(F)F 1458a_100000210188_100011934356 [0,2,0,0,0,0|2,0,0]=4 13473 B13R0.335 CCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210759 [0,2,0,0,0,0|2,0,0]=4 13474 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [0,2,0,0,0,0|1,0,0]=3 13475 B13R0.335 CCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210759 [0,2,0,0,0,0|2,0,0]=4 13476 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [0,2,0,0,0,0|1,0,0]=3 13477 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [0,2,0,0,0,0|1,0,0]=3 13478 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [0,2,0,0,0,0|1,0,0]=3 13479 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [0,2,0,0,0,0|1,0,0]=3 13480 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [0,2,0,0,0,0|1,0,1]=4 13481 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [0,2,0,0,0,0|1,0,1]=4 13482 B13R0.335 CCCCCCCNC(=O)C=C(C)C 11a_100000229938_100000211388 [0,2,0,0,0,0|1,0,1]=4 13483 B13R0.335 CCCCCCCNC(=O)C=C(C)C 1626a_100000229938_100000211388 [0,2,0,0,0,0|1,0,1]=4 13484 B13R0.335 CCCCCCCNC(=O)C=C(C)C 240690a_100000229938_100000211388 [0,2,0,0,0,0|1,0,1]=4 13485 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 11a_100000229938_200042562850 [0,2,0,0,0,0|1,0,1]=4 13486 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 1626a_100000229938_200042562850 [0,2,0,0,0,0|1,0,1]=4 13487 B13R0.335 CCCCCCCNC(=O)C=C(C)Cl 240690a_100000229938_200042562850 [0,2,0,0,0,0|1,0,1]=4 13488 B13R0.335 CCCCCCCNC(=O)C=C(C)I 11a_100000229938_100025716642 [0,2,0,0,0,0|1,0,1]=4 13489 B13R0.335 CCCCCCCNC(=O)C=C(C)I 1626a_100000229938_100025716642 [0,2,0,0,0,0|1,0,1]=4 13490 B13R0.335 CCCCCCCNC(=O)CC(C)C 11a_100000229938_100000210554 [0,2,0,0,0,0|1,0,0]=3 13491 B13R0.335 CCCCCCCNC(=O)CC(C)C 1626a_100000229938_100000210554 [0,2,0,0,0,0|1,0,0]=3 13492 B13R0.335 CCCCCCCNC(=O)CC(C)C 240690a_100000229938_100000210554 [0,2,0,0,0,0|1,0,0]=3 13493 B13R0.335 CCCCCCCNC(=O)CC(C)C 527a_100000229938_100000210554 [0,2,0,0,0,0|1,0,0]=3 13494 B13R0.335 CCCCCCCNC(=O)CN(C)C 11a_100000229938_100000750896 [0,2,0,0,0,0|2,0,0]=4 13495 B13R0.335 CCCCCCCNC(=O)CN(C)C 240690a_100000229938_100000750896 [0,2,0,0,0,0|2,0,0]=4 13496 B13R0.335 CCCCCCCNC(=O)CN(C)C 527a_100000229938_100000750896 [0,2,0,0,0,0|2,0,0]=4 13497 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [0,2,0,0,0,0|1,0,0]=3 13498 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 11a_100000229938_200159257847 [0,2,0,0,0,0|2,0,0]=4 13499 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 1626a_100000229938_200159257847 [0,2,0,0,0,0|2,0,0]=4 13500 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 240690a_100000229938_200159257847 [0,2,0,0,0,0|2,0,0]=4 13501 B13R0.335 CCCCCCCNC(=O)C[S+](C)C 527a_100000229938_200159257847 [0,2,0,0,0,0|2,0,0]=4 13502 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100000229938_100138425928 [0,2,0,0,0,0|1,0,0]=3 13503 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229938 [0,2,0,0,0,0|1,0,0]=3 13504 B13R0.335 CCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229938 [0,2,0,0,0,0|1,0,0]=3 13505 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100000229938_100138425928 [0,2,0,0,0,0|1,0,0]=3 13506 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229938 [0,2,0,0,0,0|1,0,0]=3 13507 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210314 [0,2,0,0,0,0|1,0,0]=3 13508 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000210581_100000183996 [0,2,0,0,0,0|1,0,0]=3 13509 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [0,2,0,0,0,0|0,0,0]=2 13510 B13R0.335 CCCCCCOCC(=O)NC(=O)C 7a_100000210259_100000183797 [0,2,0,0,0,0|1,0,1]=4 13511 B13R0.335 CCCCCCOCC(=O)NC(C)C 34a_100000210259_100000183996 [0,2,0,0,0,0|1,0,0]=3 13512 B13R0.335 CCCCCCOCC(=O)NC(C)C 7a_100000210259_100000183996 [0,2,0,0,0,0|1,0,0]=3 13513 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [0,2,0,0,0,0|0,0,0]=2 13514 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [0,2,0,0,0,0|0,0,0]=2 13515 B13R0.335 CCCCCCSCC(=O)NC(=O)C 62a_100000210314_100000183797 [0,2,0,0,0,0|1,0,1]=4 13516 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210757 [0,2,0,0,0,0|1,0,0]=3 13517 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000210314_100000183996 [0,2,0,0,0,0|1,0,0]=3 13518 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [0,2,0,0,0,0|0,0,0]=2 13519 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [0,2,0,0,0,0|0,0,0]=2 13520 B13R0.335 CCCCCNCCC(=O)NC(C)C 2230a_100000209983_100000737564 [0,2,0,0,0,0|1,0,0]=3 13521 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [0,2,0,0,0,0|0,0,0]=2 13522 B13R0.335 CCCCCOCCC(=O)NC(C)C 7a_100000210253_100000737564 [0,2,0,0,0,0|1,0,0]=3 13523 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [0,2,0,0,0,0|0,0,0]=2 13524 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000210326_100000737564 [0,2,0,0,0,0|1,0,0]=3 13525 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210326 [0,2,0,0,0,0|1,0,0]=3 13526 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [0,2,0,0,0,0|0,0,0]=2 13527 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [0,2,0,0,0,0|0,0,0]=2 13528 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [0,2,0,0,0,0|1,0,0]=3 13529 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [0,2,0,0,0,0|1,0,0]=3 13530 B13R0.335 CCCCOCNCC(=O)NC(C)C 2230a_100000168517_100011995733 [0,2,0,0,0,0|2,0,0]=4 13531 B13R0.335 CCCCOCSCC(=O)NC(C)C 62a_100000183996_100011995733 [0,2,0,0,0,0|2,0,0]=4 13532 B13R0.335 CCCCOCSCC(=O)NC(C)C 62a_100011995733_100000183996 [0,2,0,0,0,0|2,0,0]=4 13533 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011215430_100011995733 [0,2,0,0,0,0|1,0,0]=3 13534 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011995733_100011215430 [0,2,0,0,0,0|1,0,0]=3 13535 B13R0.335 CCCCSCCNC(=O)CC(C)C 11a_100025743550_100000210554 [0,2,0,0,0,0|2,0,0]=4 13536 B13R0.335 CCCCSCCNC(=O)CC(C)C 1626a_100025743550_100000210554 [0,2,0,0,0,0|2,0,0]=4 13537 B13R0.335 CCCCSCCNC(=O)CC(C)C 240690a_100025743550_100000210554 [0,2,0,0,0,0|2,0,0]=4 13538 B13R0.335 CCCCSCCNC(=O)CC(C)C 527a_100025743550_100000210554 [0,2,0,0,0,0|2,0,0]=4 13539 B13R0.335 CCCCSCCNC(=O)C[C@@H](C)O 240690a_100025743550_100011933948 [0,2,0,0,0,0|2,0,0]=4 13540 B13R0.335 CCCCSCCNC(=O)NC(C)C 2708a_100025743550_100138425928 [0,2,0,0,0,0|2,0,0]=4 13541 B13R0.335 CCCCSCCNC(=O)NC(C)C 2708a_100138425928_100025743550 [0,2,0,0,0,0|2,0,0]=4 13542 B13R0.335 CCCCSCCNC(=O)NC(C)C 273464a_100138425928_100025743550 [0,2,0,0,0,0|2,0,0]=4 13543 B13R0.335 CCCCSCCNC(=O)NC(C)C 512a_100025743550_100138425928 [0,2,0,0,0,0|2,0,0]=4 13544 B13R0.335 CCCCSCCNC(=O)NC(C)C 512a_100138425928_100025743550 [0,2,0,0,0,0|2,0,0]=4 13545 B13R0.335 CCCOCCCNC(=O)CC(C)C 1626a_100011217757_100000210554 [0,2,0,0,0,0|2,0,0]=4 13546 B13R0.335 CCCOCCCNC(=O)CC(C)C 240690a_100011217757_100000210554 [0,2,0,0,0,0|2,0,0]=4 13547 B13R0.335 CCCOCCCNC(=O)CC(C)C 527a_100011217757_100000210554 [0,2,0,0,0,0|2,0,0]=4 13548 B13R0.335 CCCOCCCNC(=O)C[C@@H](C)O 240690a_100011217757_100011933948 [0,2,0,0,0,0|2,0,0]=4 13549 B13R0.335 CCCOCCCNC(=O)NC(C)C 2708a_100011217757_100138425928 [0,2,0,0,0,0|2,0,0]=4 13550 B13R0.335 CCCOCCCNC(=O)NC(C)C 2708a_100138425928_100011217757 [0,2,0,0,0,0|2,0,0]=4 13551 B13R0.335 CCCOCCCNC(=O)NC(C)C 273464a_100138425928_100011217757 [0,2,0,0,0,0|2,0,0]=4 13552 B13R0.335 CCCOCCCNC(=O)NC(C)C 512a_100011217757_100138425928 [0,2,0,0,0,0|2,0,0]=4 13553 B13R0.335 CCCOCCCNC(=O)NC(C)C 512a_100138425928_100011217757 [0,2,0,0,0,0|2,0,0]=4 13554 B13R0.335 CCCOCCNCC(=O)NC(C)C 2230a_100000168517_100011215938 [0,2,0,0,0,0|2,0,0]=4 13555 B13R0.335 CCCOCCNCC(=O)NC(C)C 2230a_100161115042_100000183996 [0,2,0,0,0,0|2,0,0]=4 13556 B13R0.335 CCCOCCNCC(=O)NC(C)C 34a_100161115042_100000183996 [0,2,0,0,0,0|2,0,0]=4 13557 B13R0.335 CCCOCCNCC(=O)OC(C)C 2230a_100161115042_100011215430 [0,2,0,0,0,0|1,0,0]=3 13558 B13R0.335 CCCOCCNCC(=O)OC(C)C 34a_100161115042_100011215430 [0,2,0,0,0,0|1,0,0]=3 13559 B13R0.335 CCCOCCOCC(=O)NC(C)C 34a_100000752267_100000183996 [0,2,0,0,0,0|2,0,0]=4 13560 B13R0.335 CCCOCCOCC(=O)NC(C)C 7a_100000752267_100000183996 [0,2,0,0,0,0|2,0,0]=4 13561 B13R0.335 CCCOCCOCC(=O)OC(C)C 34a_100000752267_100011215430 [0,2,0,0,0,0|1,0,0]=3 13562 B13R0.335 CCCOCCOCC(=O)OC(C)C 7a_100000752267_100011215430 [0,2,0,0,0,0|1,0,0]=3 13563 B13R0.335 CCCOCCSCC(=O)NC(C)C 62a_100000183996_100011215938 [0,2,0,0,0,0|2,0,0]=4 13564 B13R0.335 CCCOCCSCC(=O)NC(C)C 62a_100011215938_100000183996 [0,2,0,0,0,0|2,0,0]=4 13565 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215430_100011215938 [0,2,0,0,0,0|1,0,0]=3 13566 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215938_100011215430 [0,2,0,0,0,0|1,0,0]=3 13567 B13R0.335 CCCSCCNCC(=O)NC(C)C 2230a_100020603323_100000183996 [0,2,0,0,0,0|2,0,0]=4 13568 B13R0.335 CCCSCCNCC(=O)OC(C)C 2230a_100020603323_100011215430 [0,2,0,0,0,0|1,0,0]=3 13569 B13R0.335 CCCSCCOCC(=O)NC(C)C 34a_200000230433_100000183996 [0,2,0,0,0,0|2,0,0]=4 13570 B13R0.335 CCCSCCOCC(=O)NC(C)C 7a_200000230433_100000183996 [0,2,0,0,0,0|2,0,0]=4 13571 B13R0.335 CCCSCCOCC(=O)OC(C)C 34a_200000230433_100011215430 [0,2,0,0,0,0|1,0,0]=3 13572 B13R0.335 CCCSCCOCC(=O)OC(C)C 7a_200000230433_100011215430 [0,2,0,0,0,0|1,0,0]=3 13573 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [0,2,0,0,0,0|0,0,0]=2 13574 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [0,2,0,0,0,0|0,0,0]=2 13575 B13R0.335 CCOCCCNCC(=O)NC(C)C 2230a_100000168517_100012232248 [0,2,0,0,0,0|2,0,0]=4 13576 B13R0.335 CCOCCCNCC(=O)NC(C)C 2230a_100000210961_100000183996 [0,2,0,0,0,0|2,0,0]=4 13577 B13R0.335 CCOCCCNCC(=O)NC(C)C 34a_100000210961_100000183996 [0,2,0,0,0,0|2,0,0]=4 13578 B13R0.335 CCOCCCNCC(=O)OC(C)C 2230a_100000210961_100011215430 [0,2,0,0,0,0|1,0,0]=3 13579 B13R0.335 CCOCCCNCC(=O)OC(C)C 34a_100000210961_100011215430 [0,2,0,0,0,0|1,0,0]=3 13580 B13R0.335 CCOCCCOCC(=O)NC(C)C 34a_100000757476_100000183996 [0,2,0,0,0,0|2,0,0]=4 13581 B13R0.335 CCOCCCOCC(=O)NC(C)C 7a_100000757476_100000183996 [0,2,0,0,0,0|2,0,0]=4 13582 B13R0.335 CCOCCCOCC(=O)OC(C)C 34a_100000757476_100011215430 [0,2,0,0,0,0|1,0,0]=3 13583 B13R0.335 CCOCCCOCC(=O)OC(C)C 7a_100000757476_100011215430 [0,2,0,0,0,0|1,0,0]=3 13584 B13R0.335 CCOCCCSCC(=O)NC(C)C 62a_100000183996_100012232248 [0,2,0,0,0,0|2,0,0]=4 13585 B13R0.335 CCOCCCSCC(=O)NC(C)C 62a_100012232248_100000183996 [0,2,0,0,0,0|2,0,0]=4 13586 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100011215430_100012232248 [0,2,0,0,0,0|1,0,0]=3 13587 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100012232248_100011215430 [0,2,0,0,0,0|1,0,0]=3 13588 B13R0.335 CCOCCNCCC(=O)NC(C)C 2230a_102516460346_100000737564 [0,2,0,0,0,0|2,0,0]=4 13589 B13R0.335 CCOCCNCCC(=O)OC(C)C 2230a_102516460346_100000760027 [0,2,0,0,0,0|1,0,0]=3 13590 B13R0.335 CCOCCOCCC(=O)CC(C)C 1458a_100000210554_100011211534 [0,2,0,0,0,0|2,0,0]=4 13591 B13R0.335 CCOCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011211534 [0,2,0,0,0,0|2,0,0]=4 13592 B13R0.335 CCOCCOCCC(=O)NC(C)C 7a_100000210136_100000737564 [0,2,0,0,0,0|2,0,0]=4 13593 B13R0.335 CCOCCOCCC(=O)OC(C)C 7a_100000210136_100000760027 [0,2,0,0,0,0|1,0,0]=3 13594 B13R0.335 CCOCCSCCC(=O)NC(C)C 62a_100000210147_100000737564 [0,2,0,0,0,0|2,0,0]=4 13595 B13R0.335 CCOCCSCCC(=O)NC(C)C 62a_100000737564_100011215890 [0,2,0,0,0,0|2,0,0]=4 13596 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000210147_100000760027 [0,2,0,0,0,0|1,0,0]=3 13597 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000760027_100011215890 [0,2,0,0,0,0|1,0,0]=3 13598 B13R0.335 CCOCCSCOC(=O)OC(C)C 62a_100000003507_100011215890 [0,2,0,0,0,0|2,0,0]=4 13599 B13R0.335 CCOCCSCOC(=O)OC(C)C 62a_100000210147_100000003507 [0,2,0,0,0,0|2,0,0]=4 13600 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [0,2,0,0,0,0|0,0,0]=2 13601 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [0,2,0,0,0,0|0,0,0]=2 13602 B13R0.335 CCSCCCOCC(=O)NC(C)C 34a_100011216438_100000183996 [0,2,0,0,0,0|2,0,0]=4 13603 B13R0.335 CCSCCCOCC(=O)NC(C)C 7a_100011216438_100000183996 [0,2,0,0,0,0|2,0,0]=4 13604 B13R0.335 CCSCCCOCC(=O)OC(C)C 34a_100011216438_100011215430 [0,2,0,0,0,0|1,0,0]=3 13605 B13R0.335 CCSCCCOCC(=O)OC(C)C 7a_100011216438_100011215430 [0,2,0,0,0,0|1,0,0]=3 13606 B13R0.335 CCSCCNCCC(=O)NC(C)C 2230a_100000106463_100000737564 [0,2,0,0,0,0|2,0,0]=4 13607 B13R0.335 CCSCCNCCC(=O)OC(C)C 2230a_100000106463_100000760027 [0,2,0,0,0,0|1,0,0]=3 13608 B13R0.335 CCSCCOCCC(=O)NC(C)C 7a_100000212035_100000737564 [0,2,0,0,0,0|2,0,0]=4 13609 B13R0.335 CCSCCOCCC(=O)OC(C)C 7a_100000212035_100000760027 [0,2,0,0,0,0|1,0,0]=3 13610 B13R0.335 CCSCCSCCC(=O)NC(C)C 62a_100000737564_100000757381 [0,2,0,0,0,0|2,0,0]=4 13611 B13R0.335 CCSCCSCCC(=O)NC(C)C 62a_100000757381_100000737564 [0,2,0,0,0,0|2,0,0]=4 13612 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000757381_100000760027 [0,2,0,0,0,0|1,0,0]=3 13613 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000760027_100000757381 [0,2,0,0,0,0|1,0,0]=3 13614 B13R0.335 CCSCCSCOC(=O)OC(C)C 62a_100000003507_100000757381 [0,2,0,0,0,0|2,0,0]=4 13615 B13R0.335 CCSCCSCOC(=O)OC(C)C 62a_100000757381_100000003507 [0,2,0,0,0,0|2,0,0]=4 13616 B13R0.335 CN(C)CC(=O)CCCCCCCO 1458a_100000750896_100000760002 [0,2,0,0,0,0|2,0,0]=4 13617 B13R0.335 COCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011998445 [0,2,0,0,0,0|1,0,1]=4 13618 B13R0.335 COCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100011998445 [0,2,0,0,0,0|1,0,1]=4 13619 B13R0.335 COCCCCCCC(=O)C=C(C)I 1458a_100025716642_100011998445 [0,2,0,0,0,0|1,0,1]=4 13620 B13R0.335 COCCCCCCC(=O)CC(C)C 1458a_100000210554_100011998445 [0,2,0,0,0,0|1,0,0]=3 13621 B13R0.335 COCCCCCCC(=O)CN(C)C 1458a_100000750896_100011998445 [0,2,0,0,0,0|2,0,0]=4 13622 B13R0.335 COCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011998445 [0,2,0,0,0,0|1,0,0]=3 13623 B13R0.335 COCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011998445 [0,2,0,0,0,0|2,0,0]=4 13624 B13R0.335 COCCCCCNC(=O)CC(C)C 11a_100000747528_100000210554 [0,2,0,0,0,0|2,0,0]=4 13625 B13R0.335 COCCCCCNC(=O)CC(C)C 1626a_100000747528_100000210554 [0,2,0,0,0,0|2,0,0]=4 13626 B13R0.335 COCCCCCNC(=O)CC(C)C 240690a_100000747528_100000210554 [0,2,0,0,0,0|2,0,0]=4 13627 B13R0.335 COCCCCCNC(=O)CC(C)C 527a_100000747528_100000210554 [0,2,0,0,0,0|2,0,0]=4 13628 B13R0.335 COCCCCCNC(=O)C[C@@H](C)O 240690a_100000747528_100011933948 [0,2,0,0,0,0|2,0,0]=4 13629 B13R0.335 COCCCCCNC(=O)NC(C)C 2708a_100000747528_100138425928 [0,2,0,0,0,0|2,0,0]=4 13630 B13R0.335 COCCCCCNC(=O)NC(C)C 2708a_100138425928_100000747528 [0,2,0,0,0,0|2,0,0]=4 13631 B13R0.335 COCCCCCNC(=O)NC(C)C 273464a_100138425928_100000747528 [0,2,0,0,0,0|2,0,0]=4 13632 B13R0.335 COCCCCCNC(=O)NC(C)C 512a_100000747528_100138425928 [0,2,0,0,0,0|2,0,0]=4 13633 B13R0.335 COCCCCCNC(=O)NC(C)C 512a_100138425928_100000747528 [0,2,0,0,0,0|2,0,0]=4 13634 B13R0.335 COCCCCNCC(=O)NC(C)C 2230a_100000168517_100000730899 [0,2,0,0,0,0|2,0,0]=4 13635 B13R0.335 COCCCCOCC(=O)NC(C)C 34a_100000740925_100000183996 [0,2,0,0,0,0|2,0,0]=4 13636 B13R0.335 COCCCCOCC(=O)OC(C)C 34a_100000740925_100011215430 [0,2,0,0,0,0|1,0,0]=3 13637 B13R0.335 COCCCCSCC(=O)NC(C)C 62a_100000183996_100000730899 [0,2,0,0,0,0|2,0,0]=4 13638 B13R0.335 COCCCCSCC(=O)NC(C)C 62a_100000730899_100000183996 [0,2,0,0,0,0|2,0,0]=4 13639 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100000730899_100011215430 [0,2,0,0,0,0|1,0,0]=3 13640 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100011215430_100000730899 [0,2,0,0,0,0|1,0,0]=3 13641 B13R0.335 COCCCSCCC(=O)NC(C)C 62a_100000709357_100000737564 [0,2,0,0,0,0|2,0,0]=4 13642 B13R0.335 COCCCSCCC(=O)NC(C)C 62a_100000737564_100000709357 [0,2,0,0,0,0|2,0,0]=4 13643 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000709357_100000760027 [0,2,0,0,0,0|1,0,0]=3 13644 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000760027_100000709357 [0,2,0,0,0,0|1,0,0]=3 13645 B13R0.335 COCCCSCOC(=O)OC(C)C 62a_100000003507_100000709357 [0,2,0,0,0,0|2,0,0]=4 13646 B13R0.335 COCCCSCOC(=O)OC(C)C 62a_100000709357_100000003507 [0,2,0,0,0,0|2,0,0]=4 13647 B13R0.335 COCCOCCCC(=O)CC(C)C 1458a_100000210554_100011216529 [0,2,0,0,0,0|2,0,0]=4 13648 B13R0.335 COCCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216529 [0,2,0,0,0,0|2,0,0]=4 13649 B13R0.335 COCCOCSCC(=O)OC(C)C 62a_100000231047_100011215430 [0,2,0,0,0,0|2,0,0]=4 13650 B13R0.335 COCCOCSCC(=O)OC(C)C 62a_100011215430_100000231047 [0,2,0,0,0,0|2,0,0]=4 13651 B13R0.335 CSCCCCOCC(=O)NC(C)C 34a_100011217163_100000183996 [0,2,0,0,0,0|2,0,0]=4 13652 B13R0.335 CSCCCCOCC(=O)NC(C)C 7a_100011217163_100000183996 [0,2,0,0,0,0|2,0,0]=4 13653 B13R0.335 CSCCCCOCC(=O)OC(C)C 34a_100011217163_100011215430 [0,2,0,0,0,0|1,0,0]=3 13654 B13R0.335 CSCCCCOCC(=O)OC(C)C 7a_100011217163_100011215430 [0,2,0,0,0,0|1,0,0]=3 13655 B13R0.335 CSCCCNCCC(=O)NC(C)C 2230a_100000749238_100000737564 [0,2,0,0,0,0|2,0,0]=4 13656 B13R0.335 CSCCCNCCC(=O)OC(C)C 2230a_100000749238_100000760027 [0,2,0,0,0,0|1,0,0]=3 13657 B13R0.335 CSCCCOCCC(=O)NC(C)C 7a_100000690336_100000737564 [0,2,0,0,0,0|2,0,0]=4 13658 B13R0.335 CSCCCOCCC(=O)OC(C)C 7a_100000690336_100000760027 [0,2,0,0,0,0|1,0,0]=3 13659 B13R0.335 C[C@@H](O)CC(=O)CCCCCCC#N 1458a_100011933948_100009813337 [0,2,0,0,0,0|1,0,1]=4 13660 B13R0.335 C[C@@H](O)CC(=O)CCCCCCCO 1458a_100011933948_100000760002 [0,2,0,0,0,0|1,0,0]=3 13661 B13R0.335 C[C@@H](O)CC(=O)NCCCCCCO 240690a_100000686447_100011933948 [0,2,0,0,0,0|2,0,0]=4 13662 B13R0.335 C[S+](C)CC(=O)CCCCCCCO 1458a_200159257847_100000760002 [0,2,0,0,0,0|2,0,0]=4 13663 B13R0.335 O=C(CCCCCCCO)CC(F)F 1458a_100011219782_100011934356 [0,2,0,0,0,0|2,0,0]=4 13664 B13R0.340 C#CCCCCCCC(=O)C(C)CC 1458a_100000034748_100000758301 [0,2,0,0,0,0|1,0,1]=4 13665 B13R0.340 C#CCCCCCCC(=O)C(C)CC 1458a_100011192722_100012276617 [0,2,0,0,0,0|1,0,1]=4 13666 B13R0.340 C#CCCCCCCC(=O)C(O)CC 1458a_100011196387_100012276617 [0,2,0,0,0,0|1,0,1]=4 13667 B13R0.340 C#CCCCCCCC(=O)N(C)CC 11a_100000225621_100000034748 [0,2,0,0,0,0|1,0,1]=4 13668 B13R0.340 C#CCCCCCCC(=O)N(C)CC 1626a_100000225621_100000034748 [0,2,0,0,0,0|1,0,1]=4 13669 B13R0.340 C#CCCCCCCC(=O)N(C)CC 240690a_100000225621_100000034748 [0,2,0,0,0,0|1,0,1]=4 13670 B13R0.340 C#CCCCCCCC(=O)N(C)CC 527a_100000225621_100000034748 [0,2,0,0,0,0|1,0,1]=4 13671 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCC 1458a_100020587367_100000210759 [0,2,0,0,0,0|1,0,1]=4 13672 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCO 1458a_100020587367_100000760002 [0,2,0,0,0,0|1,0,1]=4 13673 B13R0.340 C/C=C(\C)/C(=O)CCCCCCOC 1458a_100020587367_100011998445 [0,2,0,0,0,0|1,0,1]=4 13674 B13R0.340 C/C=C(\C)/C(=O)NCCCCCCC 11a_100000229938_100020587367 [0,2,0,0,0,0|1,0,1]=4 13675 B13R0.340 C/C=C(\C)/C(=O)NCCCCCCC 1626a_100000229938_100020587367 [0,2,0,0,0,0|1,0,1]=4 13676 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011192722_100011215473 [0,2,0,0,0,0|1,0,1]=4 13677 B13R0.340 C=CCCCCCCC(=O)C(C)CC 1458a_100011809334_100000758301 [0,2,0,0,0,0|1,0,1]=4 13678 B13R0.340 C=CCCCCCCC(=O)C(O)CC 1458a_100011196387_100011215473 [0,2,0,0,0,0|1,0,1]=4 13679 B13R0.340 C=CCCCCCCC(=O)N(C)CC 11a_100000225621_100011809334 [0,2,0,0,0,0|1,0,1]=4 13680 B13R0.340 C=CCCCCCCC(=O)N(C)CC 1626a_100000225621_100011809334 [0,2,0,0,0,0|1,0,1]=4 13681 B13R0.340 C=CCCCCCCC(=O)N(C)CC 240690a_100000225621_100011809334 [0,2,0,0,0,0|1,0,1]=4 13682 B13R0.340 C=CCCCCCCC(=O)N(C)CC 527a_100000225621_100011809334 [0,2,0,0,0,0|1,0,1]=4 13683 B13R0.340 CCC(C)C(=O)CCCCCCC#N 1458a_100011192722_100009813337 [0,2,0,0,0,0|1,0,1]=4 13684 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011192722_100000760002 [0,2,0,0,0,0|1,0,0]=3 13685 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000758301 [0,2,0,0,0,0|1,0,0]=3 13686 B13R0.340 CCC(C)C(=O)CCCCCCOC 1458a_100011192722_100011998445 [0,2,0,0,0,0|1,0,0]=3 13687 B13R0.340 CCC(C)C(=O)CCCOCCOC 1458a_100011192722_100011216529 [0,2,0,0,0,0|2,0,0]=4 13688 B13R0.340 CCC(C)C(=O)NCCCCCCO 240690a_100000686447_100011192722 [0,2,0,0,0,0|2,0,0]=4 13689 B13R0.340 CCC(C)C(=O)NCCCCCCO 527a_100000686447_100011192722 [0,2,0,0,0,0|2,0,0]=4 13690 B13R0.340 CCC(C)C(=O)NCCCCCOC 11a_100000747528_100011192722 [0,2,0,0,0,0|2,0,0]=4 13691 B13R0.340 CCC(C)C(=O)NCCCCCOC 1626a_100000747528_100011192722 [0,2,0,0,0,0|2,0,0]=4 13692 B13R0.340 CCC(C)C(=O)NCCCCCOC 240690a_100000747528_100011192722 [0,2,0,0,0,0|2,0,0]=4 13693 B13R0.340 CCC(C)C(=O)NCCCCCOC 527a_100000747528_100011192722 [0,2,0,0,0,0|2,0,0]=4 13694 B13R0.340 CCC(O)C(=O)CCCCCCC#N 1458a_100011196387_100009813337 [0,2,0,0,0,0|1,0,1]=4 13695 B13R0.340 CCC(O)C(=O)CCCCCCCO 1458a_100011196387_100000760002 [0,2,0,0,0,0|1,0,0]=3 13696 B13R0.340 CCC(O)C(=O)CCCCCCOC 1458a_100011196387_100011998445 [0,2,0,0,0,0|1,0,0]=3 13697 B13R0.340 CCC(O)C(=O)CCCOCCOC 1458a_100011196387_100011216529 [0,2,0,0,0,0|2,0,0]=4 13698 B13R0.340 CCC(O)C(=O)NCCCCCCO 240690a_100000686447_100011196387 [0,2,0,0,0,0|2,0,0]=4 13699 B13R0.340 CCC(O)C(=O)NCCCCCOC 240690a_100000747528_100011196387 [0,2,0,0,0,0|2,0,0]=4 13700 B13R0.340 CCCCC/C=C/CC(=O)C(C)CC 1458a_100020675968_100000758301 [0,2,0,0,0,0|1,0,1]=4 13701 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 11a_100000225621_100020675968 [0,2,0,0,0,0|1,0,1]=4 13702 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_100020675968 [0,2,0,0,0,0|1,0,1]=4 13703 B13R0.340 CCCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_100020675968 [0,2,0,0,0,0|1,0,1]=4 13704 B13R0.340 CCCCCC#CCC(=O)C(C)CC 1458a_100011192722_100009816472 [0,2,0,0,0,0|1,0,1]=4 13705 B13R0.340 CCCCCC#CCC(=O)C(O)CC 1458a_100011196387_100009816472 [0,2,0,0,0,0|1,0,1]=4 13706 B13R0.340 CCCCCCC=CC(=O)C(C)CC 1458a_200015324643_100000758301 [0,2,0,0,0,0|1,0,1]=4 13707 B13R0.340 CCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015324643 [0,2,0,0,0,0|1,0,1]=4 13708 B13R0.340 CCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015324643 [0,2,0,0,0,0|1,0,1]=4 13709 B13R0.340 CCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015324643 [0,2,0,0,0,0|1,0,1]=4 13710 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [0,2,0,0,0,0|2,0,0]=4 13711 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [0,2,0,0,0,0|1,0,0]=3 13712 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [0,2,0,0,0,0|1,0,0]=3 13713 B13R0.340 CCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210759 [0,2,0,0,0,0|2,0,0]=4 13714 B13R0.340 CCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210759 [0,2,0,0,0,0|2,0,0]=4 13715 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [0,2,0,0,0,0|1,0,0]=3 13716 B13R0.340 CCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210759 [0,2,0,0,0,0|2,0,0]=4 13717 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [0,2,0,0,0,0|1,0,0]=3 13718 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [0,2,0,0,0,0|1,0,0]=3 13719 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [0,2,0,0,0,0|1,0,0]=3 13720 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [0,2,0,0,0,0|1,0,0]=3 13721 B13R0.340 CCCCCCCNC(=O)C(=O)NC 1626a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 13722 B13R0.340 CCCCCCCNC(=O)C(=O)NC 240690a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 13723 B13R0.340 CCCCCCCNC(=O)C(=O)NC 527a_100000229938_100011218921 [0,2,0,0,0,0|2,0,0]=4 13724 B13R0.340 CCCCCCCNC(=O)C(=O)OC 11a_100000229938_100000024059 [0,2,0,0,0,0|2,0,0]=4 13725 B13R0.340 CCCCCCCNC(=O)C(=O)OC 1626a_100000229938_100000024059 [0,2,0,0,0,0|2,0,0]=4 13726 B13R0.340 CCCCCCCNC(=O)C(=O)OC 240690a_100000229938_100000024059 [0,2,0,0,0,0|2,0,0]=4 13727 B13R0.340 CCCCCCCNC(=O)C(=O)OC 527a_100000229938_100000024059 [0,2,0,0,0,0|2,0,0]=4 13728 B13R0.340 CCCCCCCNC(=O)C(C)CC 11a_100000229938_100011192722 [0,2,0,0,0,0|1,0,0]=3 13729 B13R0.340 CCCCCCCNC(=O)C(C)CC 1626a_100000229938_100011192722 [0,2,0,0,0,0|1,0,0]=3 13730 B13R0.340 CCCCCCCNC(=O)C(C)CC 240690a_100000229938_100011192722 [0,2,0,0,0,0|1,0,0]=3 13731 B13R0.340 CCCCCCCNC(=O)C(C)CC 527a_100000229938_100011192722 [0,2,0,0,0,0|1,0,0]=3 13732 B13R0.340 CCCCCCCNC(=O)C(C)OC 11a_100000229938_100000743197 [0,2,0,0,0,0|2,0,0]=4 13733 B13R0.340 CCCCCCCNC(=O)C(C)OC 1626a_100000229938_100000743197 [0,2,0,0,0,0|2,0,0]=4 13734 B13R0.340 CCCCCCCNC(=O)C(C)OC 240690a_100000229938_100000743197 [0,2,0,0,0,0|2,0,0]=4 13735 B13R0.340 CCCCCCCNC(=O)C(C)OC 527a_100000229938_100000743197 [0,2,0,0,0,0|2,0,0]=4 13736 B13R0.340 CCCCCCCNC(=O)C(C)SC 11a_100000229938_100000149566 [0,2,0,0,0,0|2,0,0]=4 13737 B13R0.340 CCCCCCCNC(=O)C(C)SC 1626a_100000229938_100000149566 [0,2,0,0,0,0|2,0,0]=4 13738 B13R0.340 CCCCCCCNC(=O)C(C)SC 240690a_100000229938_100000149566 [0,2,0,0,0,0|2,0,0]=4 13739 B13R0.340 CCCCCCCNC(=O)C(C)SC 527a_100000229938_100000149566 [0,2,0,0,0,0|2,0,0]=4 13740 B13R0.340 CCCCCCCNC(=O)C(O)CC 240690a_100000229938_100011196387 [0,2,0,0,0,0|1,0,0]=3 13741 B13R0.340 CCCCCCCNC(=O)C(O)CO 240690a_100000229938_100011215603 [0,2,0,0,0,0|2,0,0]=4 13742 B13R0.340 CCCCCCCNC(=O)N(C)CC 2708a_100000229938_100000225621 [0,2,0,0,0,0|1,0,0]=3 13743 B13R0.340 CCCCCCCNC(=O)N(C)CC 273464a_100000229938_100000225621 [0,2,0,0,0,0|1,0,0]=3 13744 B13R0.340 CCCCCCNCC(=O)N(C)CC 2230a_100000210581_100000738999 [0,2,0,0,0,0|1,0,0]=3 13745 B13R0.340 CCCCCCNCC(=O)N(C)OC 2230a_100000210581_100000764215 [0,2,0,0,0,0|2,0,0]=4 13746 B13R0.340 CCCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210314 [0,2,0,0,0,0|2,0,0]=4 13747 B13R0.340 CCCCCCOCC(=O)C(=O)OC 34a_100000210259_100011610305 [0,2,0,0,0,0|2,0,0]=4 13748 B13R0.340 CCCCCCOCC(=O)N(C)CC 34a_100000210259_100000738999 [0,2,0,0,0,0|1,0,0]=3 13749 B13R0.340 CCCCCCOCC(=O)N(C)CC 7a_100000210259_100000738999 [0,2,0,0,0,0|1,0,0]=3 13750 B13R0.340 CCCCCCOCC(=O)N(C)OC 7a_100000210259_100000764215 [0,2,0,0,0,0|2,0,0]=4 13751 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100000210314_100011610305 [0,2,0,0,0,0|2,0,0]=4 13752 B13R0.340 CCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210757 [0,2,0,0,0,0|2,0,0]=4 13753 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000210314_100000738999 [0,2,0,0,0,0|1,0,0]=3 13754 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210757 [0,2,0,0,0,0|1,0,0]=3 13755 B13R0.340 CCCCCCSCC(=O)N(C)OC 62a_100000210314_100000764215 [0,2,0,0,0,0|2,0,0]=4 13756 B13R0.340 CCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210757 [0,2,0,0,0,0|2,0,0]=4 13757 B13R0.340 CCCCNCCCC(=O)N(C)OC 7a_106832991798_100011842776 [0,2,0,0,0,0|2,0,0]=4 13758 B13R0.340 CCCCOCCCC(=O)N(C)OC 7a_100000210227_100011842776 [0,2,0,0,0,0|2,0,0]=4 13759 B13R0.340 CCCCOCSCC(=O)N(C)CC 62a_100000738999_100011995733 [0,2,0,0,0,0|2,0,0]=4 13760 B13R0.340 CCCCOCSCC(=O)N(C)CC 62a_100011995733_100000738999 [0,2,0,0,0,0|2,0,0]=4 13761 B13R0.340 CCCCSCCCC(=O)N(C)OC 62a_100000210211_100011842776 [0,2,0,0,0,0|2,0,0]=4 13762 B13R0.340 CCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210210 [0,2,0,0,0,0|2,0,0]=4 13763 B13R0.340 CCCCSCCNC(=O)C(C)CC 11a_100025743550_100011192722 [0,2,0,0,0,0|2,0,0]=4 13764 B13R0.340 CCCCSCCNC(=O)C(C)CC 1626a_100025743550_100011192722 [0,2,0,0,0,0|2,0,0]=4 13765 B13R0.340 CCCCSCCNC(=O)C(C)CC 240690a_100025743550_100011192722 [0,2,0,0,0,0|2,0,0]=4 13766 B13R0.340 CCCCSCCNC(=O)C(C)CC 527a_100025743550_100011192722 [0,2,0,0,0,0|2,0,0]=4 13767 B13R0.340 CCCCSCCNC(=O)C(O)CC 240690a_100025743550_100011196387 [0,2,0,0,0,0|2,0,0]=4 13768 B13R0.340 CCCCSCCNC(=O)N(C)CC 2708a_100025743550_100000225621 [0,2,0,0,0,0|2,0,0]=4 13769 B13R0.340 CCCCSCCNC(=O)N(C)CC 273464a_100025743550_100000225621 [0,2,0,0,0,0|2,0,0]=4 13770 B13R0.340 CCCOCCCNC(=O)C(C)CC 1626a_100011217757_100011192722 [0,2,0,0,0,0|2,0,0]=4 13771 B13R0.340 CCCOCCCNC(=O)C(C)CC 240690a_100011217757_100011192722 [0,2,0,0,0,0|2,0,0]=4 13772 B13R0.340 CCCOCCCNC(=O)C(C)CC 527a_100011217757_100011192722 [0,2,0,0,0,0|2,0,0]=4 13773 B13R0.340 CCCOCCCNC(=O)C(O)CC 240690a_100011217757_100011196387 [0,2,0,0,0,0|2,0,0]=4 13774 B13R0.340 CCCOCCCNC(=O)N(C)CC 2708a_100011217757_100000225621 [0,2,0,0,0,0|2,0,0]=4 13775 B13R0.340 CCCOCCCNC(=O)N(C)CC 273464a_100011217757_100000225621 [0,2,0,0,0,0|2,0,0]=4 13776 B13R0.340 CCCOCCNCC(=O)N(C)CC 2230a_100161115042_100000738999 [0,2,0,0,0,0|2,0,0]=4 13777 B13R0.340 CCCOCCNCC(=O)N(C)CC 34a_100161115042_100000738999 [0,2,0,0,0,0|2,0,0]=4 13778 B13R0.340 CCCOCCOCC(=O)N(C)CC 34a_100000752267_100000738999 [0,2,0,0,0,0|2,0,0]=4 13779 B13R0.340 CCCOCCOCC(=O)N(C)CC 7a_100000752267_100000738999 [0,2,0,0,0,0|2,0,0]=4 13780 B13R0.340 CCCOCCSCC(=O)N(C)CC 62a_100000738999_100011215938 [0,2,0,0,0,0|2,0,0]=4 13781 B13R0.340 CCCOCCSCC(=O)N(C)CC 62a_100011215938_100000738999 [0,2,0,0,0,0|2,0,0]=4 13782 B13R0.340 CCCSCCNCC(=O)N(C)CC 2230a_100020603323_100000738999 [0,2,0,0,0,0|2,0,0]=4 13783 B13R0.340 CCCSCCOCC(=O)N(C)CC 34a_200000230433_100000738999 [0,2,0,0,0,0|2,0,0]=4 13784 B13R0.340 CCCSCCOCC(=O)N(C)CC 7a_200000230433_100000738999 [0,2,0,0,0,0|2,0,0]=4 13785 B13R0.340 CCN(C)C(=O)CCCCCCCO 240690a_100000225621_100011219782 [0,2,0,0,0,0|1,0,0]=3 13786 B13R0.340 CCN(C)C(=O)CNCCCCCO 2230a_100000762737_100000738999 [0,2,0,0,0,0|2,0,0]=4 13787 B13R0.340 CCN(C)C(=O)CNCCCCCO 34a_100000762737_100000738999 [0,2,0,0,0,0|2,0,0]=4 13788 B13R0.340 CCN(C)C(=O)COCCCCCBr 34a_100000746331_100000738999 [0,2,0,0,0,0|2,0,0]=4 13789 B13R0.340 CCN(C)C(=O)COCCCCCBr 7a_100000746331_100000738999 [0,2,0,0,0,0|2,0,0]=4 13790 B13R0.340 CCN(C)C(=O)COCCCCCCl 34a_100000746330_100000738999 [0,2,0,0,0,0|2,0,0]=4 13791 B13R0.340 CCN(C)C(=O)COCCCCCCl 7a_100000746330_100000738999 [0,2,0,0,0,0|2,0,0]=4 13792 B13R0.340 CCN(C)C(=O)COCCCCCI 34a_200012148887_100000738999 [0,2,0,0,0,0|2,0,0]=4 13793 B13R0.340 CCN(C)C(=O)COCCCCCI 7a_200012148887_100000738999 [0,2,0,0,0,0|2,0,0]=4 13794 B13R0.340 CCN(C)C(=O)COCCCCCN 34a_100000762737_100000738999 [0,2,0,0,0,0|2,0,0]=4 13795 B13R0.340 CCN(C)C(=O)COCCCCOC 34a_100000740925_100000738999 [0,2,0,0,0,0|2,0,0]=4 13796 B13R0.340 CCN(C)C(=O)COCCCCSC 34a_100011217163_100000738999 [0,2,0,0,0,0|2,0,0]=4 13797 B13R0.340 CCN(C)C(=O)COCCCCSC 7a_100011217163_100000738999 [0,2,0,0,0,0|2,0,0]=4 13798 B13R0.340 CCN(C)C(=O)CSCCCCCF 62a_100000729378_100000738999 [0,2,0,0,0,0|2,0,0]=4 13799 B13R0.340 CCN(C)C(=O)CSCCCCCF 62a_100000738999_100000729378 [0,2,0,0,0,0|2,0,0]=4 13800 B13R0.340 CCN(C)C(=O)CSCCCCCO 62a_100000738999_100000746330 [0,2,0,0,0,0|2,0,0]=4 13801 B13R0.340 CCN(C)C(=O)CSCCCCCO 62a_100000746330_100000738999 [0,2,0,0,0,0|2,0,0]=4 13802 B13R0.340 CCN(C)C(=O)CSCCCCOC 62a_100000730899_100000738999 [0,2,0,0,0,0|2,0,0]=4 13803 B13R0.340 CCN(C)C(=O)CSCCCCOC 62a_100000738999_100000730899 [0,2,0,0,0,0|2,0,0]=4 13804 B13R0.340 CCN(C)C(=O)NCCCCCCO 273464a_100000686447_100000225621 [0,2,0,0,0,0|2,0,0]=4 13805 B13R0.340 CCN(C)C(=O)NCCCCCOC 2708a_100000747528_100000225621 [0,2,0,0,0,0|2,0,0]=4 13806 B13R0.340 CCN(C)C(=O)NCCCCCOC 273464a_100000747528_100000225621 [0,2,0,0,0,0|2,0,0]=4 13807 B13R0.340 CCOCCCNCC(=O)N(C)CC 2230a_100000210961_100000738999 [0,2,0,0,0,0|2,0,0]=4 13808 B13R0.340 CCOCCCNCC(=O)N(C)CC 34a_100000210961_100000738999 [0,2,0,0,0,0|2,0,0]=4 13809 B13R0.340 CCOCCCOCC(=O)N(C)CC 34a_100000757476_100000738999 [0,2,0,0,0,0|2,0,0]=4 13810 B13R0.340 CCOCCCOCC(=O)N(C)CC 7a_100000757476_100000738999 [0,2,0,0,0,0|2,0,0]=4 13811 B13R0.340 CCOCCCSCC(=O)N(C)CC 62a_100000738999_100012232248 [0,2,0,0,0,0|2,0,0]=4 13812 B13R0.340 CCOCCCSCC(=O)N(C)CC 62a_100012232248_100000738999 [0,2,0,0,0,0|2,0,0]=4 13813 B13R0.340 CCOCCOCCC(=O)C(C)CC 1458a_100011192722_100011211534 [0,2,0,0,0,0|2,0,0]=4 13814 B13R0.340 CCOCCOCCC(=O)C(O)CC 1458a_100011196387_100011211534 [0,2,0,0,0,0|2,0,0]=4 13815 B13R0.340 CCSCCCOCC(=O)N(C)CC 34a_100011216438_100000738999 [0,2,0,0,0,0|2,0,0]=4 13816 B13R0.340 CCSCCCOCC(=O)N(C)CC 7a_100011216438_100000738999 [0,2,0,0,0,0|2,0,0]=4 13817 B13R0.340 CNC(=O)C(=O)CCCCCCCO 1458a_100011218921_100000760002 [0,2,0,0,0,0|2,0,0]=4 13818 B13R0.340 CNC(=O)C(=O)CCCCCCOC 1458a_100011218921_100011998445 [0,2,0,0,0,0|2,0,0]=4 13819 B13R0.340 COC(C)C(=O)CCCCCCCO 1458a_100000743197_100000760002 [0,2,0,0,0,0|2,0,0]=4 13820 B13R0.340 COCCCCCCC(=O)C(C)OC 1458a_100000743197_100011998445 [0,2,0,0,0,0|2,0,0]=4 13821 B13R0.340 COCCCCCCC(=O)C(C)SC 1458a_100000149566_100011998445 [0,2,0,0,0,0|2,0,0]=4 13822 B13R0.340 COCCCCCCC(=O)C(O)CO 1458a_100011215603_100011998445 [0,2,0,0,0,0|2,0,0]=4 13823 B13R0.340 CSC(C)C(=O)CCCCCCCO 1458a_100000149566_100000760002 [0,2,0,0,0,0|2,0,0]=4 13824 B13R0.340 O=C(CCCCCCCO)C(O)CO 1458a_100011215603_100000760002 [0,2,0,0,0,0|2,0,0]=4 13825 B13R0.367 C#CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000184674 [0,2,0,0,0,0|0,0,2]=4 13826 B13R0.367 C#CCC(=O)CCCCC(=O)OCC 1458a_100011220946_100000750268 [0,2,0,0,0,0|0,0,2]=4 13827 B13R0.367 C#CCC(C)OCCCC(=O)OCC 34a_100000685586_100009991533 [0,2,0,0,0,0|0,0,2]=4 13828 B13R0.367 C#CCC(C)OCCCC(=O)OCC 7a_100000685586_100011215271 [0,2,0,0,0,0|0,0,2]=4 13829 B13R0.367 C#CCN(C)CCCCC(=O)OCC 2230a_100000225692_100000750268 [0,2,0,0,0,0|0,0,2]=4 13830 B13R0.367 C#CCN(C)CCCCC(=O)OCC 34a_100000225692_100000750268 [0,2,0,0,0,0|0,0,2]=4 13831 B13R0.367 C/C=C/C(C)OCCCC(=O)OCC 34a_200102604097_100009991533 [0,2,0,0,0,0|0,0,2]=4 13832 B13R0.367 C=CCC(=O)CCCCC(=O)OCC 1458a_100000210193_100000750268 [0,2,0,0,0,0|0,0,2]=4 13833 B13R0.367 C=CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210623 [0,2,0,0,0,0|0,0,2]=4 13834 B13R0.367 C=CCC(C)COCCC(=O)OCC 34a_100009832082_100000765890 [0,2,0,0,0,0|0,0,2]=4 13835 B13R0.367 C=CCC(C)COCCC(=O)OCC 7a_100009832082_100011206558 [0,2,0,0,0,0|0,0,2]=4 13836 B13R0.367 C=CCN(C)CCCCC(=O)OCC 2230a_100000225617_100000750268 [0,2,0,0,0,0|0,0,2]=4 13837 B13R0.367 C=CCN(C)CCCCC(=O)OCC 269982a_100000225617_100000750268 [0,2,0,0,0,0|0,0,2]=4 13838 B13R0.367 C=CC[C@@H](C)OCCCC(=O)OCC 34a_100000731007_100009991533 [0,2,0,0,0,0|0,0,2]=4 13839 B13R0.367 C=CC[C@@H](C)OCCCC(=O)OCC 7a_100000731007_100011215271 [0,2,0,0,0,0|0,0,2]=4 13840 B13R0.367 C=CC[C@@H](N)COCCC(=O)OCC 34a_100020615467_100000765890 [0,2,0,0,0,0|0,0,2]=4 13841 B13R0.367 C=COC(=O)COCCC(C)CCC 34a_100011217855_100000036128 [0,2,0,0,0,0|0,0,2]=4 13842 B13R0.367 C=COC(=O)COCC[C@@H](N)CCC 34a_100015193777_100000036128 [0,2,0,0,0,0|0,0,2]=4 13843 B13R0.367 CC#CC(=O)CCCCC(=O)OCC 1458a_100000763181_100000750268 [0,2,0,0,0,0|0,0,2]=4 13844 B13R0.367 CC#CC(C)OCCCC(=O)OCC 34a_100011216543_100009991533 [0,2,0,0,0,0|0,0,2]=4 13845 B13R0.367 CC=CC(=O)CCCCC(=O)OCC 1458a_100000210699_100000750268 [0,2,0,0,0,0|0,0,2]=4 13846 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [0,2,0,0,0,0|0,0,0]=2 13847 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [0,2,0,0,0,0|0,0,0]=2 13848 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [0,2,0,0,0,0|0,0,1]=3 13849 B13R0.367 CCCC(=O)COCCC(C)CCC 7a_100011217855_100000747444 [0,2,0,0,0,0|1,0,0]=3 13850 B13R0.367 CCCC(=O)CSCCC(=O)NCC 62a_100000737597_100000747444 [0,2,0,0,0,0|1,0,1]=4 13851 B13R0.367 CCCC(=O)CSCCC(=O)NCC 62a_100000747444_100000737597 [0,2,0,0,0,0|1,0,1]=4 13852 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000747444_100000765890 [0,2,0,0,0,0|0,0,1]=3 13853 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000765890_100000747444 [0,2,0,0,0,0|0,0,1]=3 13854 B13R0.367 CCCC(=O)CSCOC(=O)OCC 62a_100000747444_100000075025 [0,2,0,0,0,0|1,0,1]=4 13855 B13R0.367 CCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211992 [0,2,0,0,0,0|0,0,1]=3 13856 B13R0.367 CCCC(=O)OCOCC(C)CCC 34a_100000688023_100000034017 [0,2,0,0,0,0|2,0,0]=4 13857 B13R0.367 CCCC(=O)OCOC[C@@H](N)CCC 34a_100000732646_100000034017 [0,2,0,0,0,0|2,0,0]=4 13858 B13R0.367 CCCC(=O)OCSCC(=O)OCC 62a_100000188475_100000034017 [0,2,0,0,0,0|1,0,1]=4 13859 B13R0.367 CCCC(=O)OCSCC(C)CCC 62a_100011216630_100000034017 [0,2,0,0,0,0|2,0,0]=4 13860 B13R0.367 CCCC(C)CCOCC(=O)NCC 34a_100011217855_100000183381 [0,2,0,0,0,0|1,0,0]=3 13861 B13R0.367 CCCC(C)CCOCC(=O)NCC 7a_100011217855_100000183381 [0,2,0,0,0,0|1,0,0]=3 13862 B13R0.367 CCCC(C)CCOCC(=O)NCO 34a_100011217855_100000185155 [0,2,0,0,0,0|2,0,0]=4 13863 B13R0.367 CCCC(C)CCOCC(=O)NCO 7a_100011217855_100000185155 [0,2,0,0,0,0|2,0,0]=4 13864 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [0,2,0,0,0,0|0,0,0]=2 13865 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [0,2,0,0,0,0|0,0,0]=2 13866 B13R0.367 CCCC(C)CNCCC(=O)NCC 270004a_100025743525_100000243154 [0,2,0,0,0,0|1,0,0]=3 13867 B13R0.367 CCCC(C)CNCCC(=O)NCC 34a_100025743525_100011216630 [0,2,0,0,0,0|1,0,0]=3 13868 B13R0.367 CCCC(C)COCCC(=O)NCC 7a_100000688023_100000737597 [0,2,0,0,0,0|1,0,0]=3 13869 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [0,2,0,0,0,0|0,0,0]=2 13870 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [0,2,0,0,0,0|0,0,0]=2 13871 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100000737597_100011216630 [0,2,0,0,0,0|1,0,0]=3 13872 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100011216630_100000737597 [0,2,0,0,0,0|1,0,0]=3 13873 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [0,2,0,0,0,0|0,0,0]=2 13874 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [0,2,0,0,0,0|0,0,0]=2 13875 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [0,2,0,0,0,0|1,0,0]=3 13876 B13R0.367 CCCC(C)NC/C=C/C(=O)OCC 2230a_100000741246_100016267167 [0,2,0,0,0,0|0,0,2]=4 13877 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [0,2,0,0,0,0|0,0,0]=2 13878 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 34a_100000764384_100016267167 [0,2,0,0,0,0|0,0,2]=4 13879 B13R0.367 CCCC(C)OC/C=C/C(=O)OCC 7a_100000764384_100016267167 [0,2,0,0,0,0|0,0,2]=4 13880 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [0,2,0,0,0,0|0,0,0]=2 13881 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [0,2,0,0,0,0|0,0,0]=2 13882 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [0,2,0,0,0,0|0,0,0]=2 13883 B13R0.367 CCCC(C)OCCNC(=O)OCC 34a_100000158857_100000766640 [0,2,0,0,0,0|1,0,0]=3 13884 B13R0.367 CCCC(C)OCCNC(=O)OCC 7a_100000764384_200011445536 [0,2,0,0,0,0|1,0,0]=3 13885 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100000766640_100016267167 [0,2,0,0,0,0|0,0,2]=4 13886 B13R0.367 CCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_100000766640 [0,2,0,0,0,0|0,0,2]=4 13887 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [0,2,0,0,0,0|0,0,0]=2 13888 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [0,2,0,0,0,0|0,0,0]=2 13889 B13R0.367 CCCC(C)SCCNC(=O)OCC 62a_100000766640_200011445536 [0,2,0,0,0,0|1,0,0]=3 13890 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [0,2,0,0,0,0|0,0,0]=2 13891 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [0,2,0,0,0,0|0,0,0]=2 13892 B13R0.367 CCCN(C)CCOCC(=O)OCC 2230a_100000747261_100000088970 [0,2,0,0,0,0|1,0,0]=3 13893 B13R0.367 CCCN(C)CCOCC(=O)OCC 269982a_100000747261_100000088970 [0,2,0,0,0,0|1,0,0]=3 13894 B13R0.367 CCC[C@H](N)CCOCC(=O)NCC 34a_100015193777_100000183381 [0,2,0,0,0,0|1,0,0]=3 13895 B13R0.367 CCC[C@H](N)CCOCC(=O)NCO 34a_100015193777_100000185155 [0,2,0,0,0,0|2,0,0]=4 13896 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [0,2,0,0,0,0|0,0,0]=2 13897 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [0,2,0,0,0,0|0,0,0]=2 13898 B13R0.367 CCNC(=O)CCCCC(=O)OCC 11a_100015525214_100011217402 [0,2,0,0,0,0|0,0,1]=3 13899 B13R0.367 CCNC(=O)CCCCC(=O)OCC 240690a_100015525214_100011217402 [0,2,0,0,0,0|0,0,1]=3 13900 B13R0.367 CCNC(=O)CCCCC(=O)OCC 527a_100015525214_100011217402 [0,2,0,0,0,0|0,0,1]=3 13901 B13R0.367 CCNC(=O)CCNCC(=O)OCC 34a_100025743525_100000188475 [0,2,0,0,0,0|1,0,1]=4 13902 B13R0.367 CCNC(=O)CCNCC(O)COC 2230a_100000756049_100000737597 [0,2,0,0,0,0|2,0,0]=4 13903 B13R0.367 CCNC(=O)CCNCC(O)COC 34a_100025743525_100011215053 [0,2,0,0,0,0|2,0,0]=4 13904 B13R0.367 CCNC(=O)CCSCC(=O)OCC 62a_100000188475_100000737597 [0,2,0,0,0,0|1,0,1]=4 13905 B13R0.367 CCNC(=O)CCSCC(=O)OCC 62a_100000737597_100000188475 [0,2,0,0,0,0|1,0,1]=4 13906 B13R0.367 CCNC(=O)CCSCC(O)COC 62a_100000737597_100011215053 [0,2,0,0,0,0|2,0,0]=4 13907 B13R0.367 CCNC(=O)CCSCC(O)COC 62a_100011215053_100000737597 [0,2,0,0,0,0|2,0,0]=4 13908 B13R0.367 CCNC(=O)CNCCC(=O)OCC 2230a_100016988866_100011206558 [0,2,0,0,0,0|1,0,1]=4 13909 B13R0.367 CCNC(=O)CSCCC(=O)OCC 62a_100000183381_100000765890 [0,2,0,0,0,0|1,0,1]=4 13910 B13R0.367 CCNC(=O)CSCCC(=O)OCC 62a_100000765890_100000183381 [0,2,0,0,0,0|1,0,1]=4 13911 B13R0.367 CCOC(=O)CCCCC(=O)CC#N 1458a_100011217402_100011214920 [0,2,0,0,0,0|0,0,2]=4 13912 B13R0.367 CCOC(=O)CCCCC(=O)CC#N 1458a_100051588842_100000750268 [0,2,0,0,0,0|0,0,2]=4 13913 B13R0.367 CCOC(=O)CCCCC(=O)CCF 1458a_100011217402_100011217306 [0,2,0,0,0,0|0,0,1]=3 13914 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011216618_100000750268 [0,2,0,0,0,0|0,0,1]=3 13915 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011217402_100000211926 [0,2,0,0,0,0|0,0,1]=3 13916 B13R0.367 CCOC(=O)CCCCC(=O)COC 1458a_100000210968_100000750268 [0,2,0,0,0,0|0,0,1]=3 13917 B13R0.367 CCOC(=O)CCCCC(=O)CSC 1458a_100000184570_100000750268 [0,2,0,0,0,0|0,0,1]=3 13918 B13R0.367 CCOC(=O)CCCCC(=O)NNC 22a_100016993582_100011217402 [0,2,0,0,0,0|1,0,1]=4 13919 B13R0.367 CCOC(=O)CCCCN(C)CC#N 2230a_100000748184_100000750268 [0,2,0,0,0,0|1,0,1]=4 13920 B13R0.367 CCOC(=O)CCCCN(C)CCO 2230a_100000210263_100000750268 [0,2,0,0,0,0|1,0,0]=3 13921 B13R0.367 CCOC(=O)CCCCN(C)CCO 269982a_100000210263_100000750268 [0,2,0,0,0,0|1,0,0]=3 13922 B13R0.367 CCOC(=O)CCCNC(=O)CNC 2230a_106832991635_100000183181 [0,2,0,0,0,0|1,0,1]=4 13923 B13R0.367 CCOC(=O)CCCNC(=O)CNC 34a_100102657272_100000183181 [0,2,0,0,0,0|1,0,1]=4 13924 B13R0.367 CCOC(=O)CCCNC(=O)CNC 7a_106832991635_100000183181 [0,2,0,0,0,0|1,0,1]=4 13925 B13R0.367 CCOC(=O)CCCNC(=O)COC 188690a_100000211256_100000210968 [0,2,0,0,0,0|1,0,1]=4 13926 B13R0.367 CCOC(=O)CCCNC(=O)COC 34a_100138415774_100000183181 [0,2,0,0,0,0|1,0,1]=4 13927 B13R0.367 CCOC(=O)CCCNC(=O)CSC 188690a_100000211256_100000184570 [0,2,0,0,0,0|1,0,1]=4 13928 B13R0.367 CCOC(=O)CCCNC(=O)CSC 62a_100000183181_200000210301 [0,2,0,0,0,0|1,0,1]=4 13929 B13R0.367 CCOC(=O)CCCNC(=O)CSC 62a_200000210301_100000183181 [0,2,0,0,0,0|1,0,1]=4 13930 B13R0.367 CCOC(=O)CCCNC(=O)CS[13CH3] 62a_100000183181_200025704644 [0,2,0,0,0,0|1,0,1]=4 13931 B13R0.367 CCOC(=O)CCCNC(=O)CS[13CH3] 62a_200025704644_100000183181 [0,2,0,0,0,0|1,0,1]=4 13932 B13R0.367 CCOC(=O)CCCN[C@@H](C)CC#N 2230a_100016994482_100009991533 [0,2,0,0,0,0|1,0,1]=4 13933 B13R0.367 CCOC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100009991533 [0,2,0,0,0,0|1,0,0]=3 13934 B13R0.367 CCOC(=O)CCCN[C@H](C)CCO 34a_100000706166_100009991533 [0,2,0,0,0,0|1,0,0]=3 13935 B13R0.367 CCOC(=O)CCCN[C@H](C)COC 2230a_100000764878_100009991533 [0,2,0,0,0,0|1,0,0]=3 13936 B13R0.367 CCOC(=O)CCCOC(C)CC#N 7a_100012001163_100009813641 [0,2,0,0,0,0|1,0,1]=4 13937 B13R0.367 CCOC(=O)CCCOC(C)CCBr 34a_100012276601_100009991533 [0,2,0,0,0,0|1,0,0]=3 13938 B13R0.367 CCOC(=O)CCCOC(C)CCO 7a_100012001163_100009893172 [0,2,0,0,0,0|1,0,0]=3 13939 B13R0.367 CCOC(=O)CCCOC(C)COC 7a_100012001163_100000765312 [0,2,0,0,0,0|1,0,0]=3 13940 B13R0.367 CCOC(=O)CCCO[C@H](C)COC 34a_100011934205_100009991533 [0,2,0,0,0,0|1,0,0]=3 13941 B13R0.367 CCOC(=O)CCCSC(C)CC#N 62a_100009813641_100009991533 [0,2,0,0,0,0|1,0,1]=4 13942 B13R0.367 CCOC(=O)CCCSC(C)CC#N 62a_100009991533_100009813641 [0,2,0,0,0,0|1,0,1]=4 13943 B13R0.367 CCOC(=O)CCCSC(C)CCO 62a_100009893172_100009991533 [0,2,0,0,0,0|1,0,0]=3 13944 B13R0.367 CCOC(=O)CCCSC(C)CCO 62a_100009991533_100009893172 [0,2,0,0,0,0|1,0,0]=3 13945 B13R0.367 CCOC(=O)CCCSC(C)COC 62a_100000765312_100009991533 [0,2,0,0,0,0|1,0,0]=3 13946 B13R0.367 CCOC(=O)CCCSC(C)COC 62a_100009991533_100000765312 [0,2,0,0,0,0|1,0,0]=3 13947 B13R0.367 CCOC(=O)CCNCC(O)COC 2230a_100000756049_100011206558 [0,2,0,0,0,0|1,0,0]=3 13948 B13R0.367 CCOC(=O)CCNCC(O)COC 34a_100000756049_100000765890 [0,2,0,0,0,0|1,0,0]=3 13949 B13R0.367 CCOC(=O)CCOCC(C)CCN 34a_106354213184_100000765890 [0,2,0,0,0,0|1,0,0]=3 13950 B13R0.367 CCOC(=O)CCOCC(N)COC 34a_100000724102_100000765890 [0,2,0,0,0,0|1,0,0]=3 13951 B13R0.367 CCOC(=O)CCSCC(=O)OCC 62a_100000188475_100000765890 [0,2,0,0,0,0|1,0,1]=4 13952 B13R0.367 CCOC(=O)CCSCC(=O)OCC 62a_100000765890_100000188475 [0,2,0,0,0,0|1,0,1]=4 13953 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100000765890_100011215053 [0,2,0,0,0,0|1,0,0]=3 13954 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100011215053_100000765890 [0,2,0,0,0,0|1,0,0]=3 13955 B13R0.367 CCOC(=O)CCSC[C@@H](O)CC#N 62a_100000001066_100000765890 [0,2,0,0,0,0|1,0,1]=4 13956 B13R0.367 CCOC(=O)CCSC[C@@H](O)CC#N 62a_100000765890_100000001066 [0,2,0,0,0,0|1,0,1]=4 13957 B13R0.367 CCOC(=O)COCCC(=O)CCO 1458a_100011216618_100000088970 [0,2,0,0,0,0|1,0,1]=4 13958 B13R0.367 CCOC(=O)COCCC(=O)COC 1458a_100000210968_100000088970 [0,2,0,0,0,0|1,0,1]=4 13959 B13R0.367 CCOC(=O)COCCC(=O)CSC 1458a_100000184570_100000088970 [0,2,0,0,0,0|1,0,1]=4 13960 B13R0.367 CCOC(=O)COCCN(C)CCO 2230a_100000210263_100000088970 [0,2,0,0,0,0|2,0,0]=4 13961 B13R0.367 CCOC(=O)COCCN(C)CCO 269982a_100000210263_100000088970 [0,2,0,0,0,0|2,0,0]=4 13962 B13R0.367 CCOC(=O)NCCOC(C)CCO 34a_100000158857_100009893172 [0,2,0,0,0,0|2,0,0]=4 13963 B13R0.367 CCOC(=O)NCCOC(C)COC 34a_100000158857_100000765312 [0,2,0,0,0,0|2,0,0]=4 13964 B13R0.367 CCOC(=O)NCCSC(C)CCO 62a_100009893172_200011445536 [0,2,0,0,0,0|2,0,0]=4 13965 B13R0.367 CCOC(=O)NCCSC(C)COC 62a_100000765312_200011445536 [0,2,0,0,0,0|2,0,0]=4 13966 B13R0.367 CCOC(=O)OCSCC(O)COC 62a_100011215053_100000075025 [0,2,0,0,0,0|2,0,0]=4 13967 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 270084a_100015525214_100011218563 [0,2,0,0,0,0|2,0,0]=4 13968 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 274078a_100015525214_100011218563 [0,2,0,0,0,0|2,0,0]=4 13969 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 270084a_100000229938_100000211391 [0,2,0,0,0,0|2,0,0]=4 13970 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 274078a_100000229938_100000211391 [0,2,0,0,0,0|2,0,0]=4 13971 B13R0.1338 CCCCCCCNS(=O)(=O)CCC 40a_100000229938_100000054278 [0,2,0,0,0,0|2,0,0]=4 13972 B13R0.1338 CCCCCCSC[Si](C)(C)OCC 62a_100000210314_200000065227 [0,2,0,0,0,0|1,1,0]=4 13973 B13R0.1338 CCCCCCSC[Si](C)(C)OCC 62a_200000065227_100000210757 [0,2,0,0,0,0|1,1,0]=4 13974 B13R0.1338 CCCCNCCC[Si](C)(C)OCC 2230a_100000102301_100000070546 [0,2,0,0,0,0|1,1,0]=4 13975 B13R0.1338 CCCCNCCC[Si](C)(C)OCC 7a_106832991798_100000070546 [0,2,0,0,0,0|1,1,0]=4 13976 B13R0.1338 CCCCOCCC[Si](C)(C)OCC 34a_100000210227_100000070546 [0,2,0,0,0,0|1,1,0]=4 13977 B13R0.1338 CCCCOCCC[Si](C)(C)OCC 7a_100000210227_100000070546 [0,2,0,0,0,0|1,1,0]=4 13978 B13R0.1338 CCCCSCCC[Si](C)(C)OCC 62a_100000070546_100000210210 [0,2,0,0,0,0|1,1,0]=4 13979 B13R0.1338 CCCCSCCC[Si](C)(C)OCC 62a_100000210211_100000070546 [0,2,0,0,0,0|1,1,0]=4 13980 B13R0.62 C=CC(CCCCCCC)OC(C)C 34a_200011934235_100000210206 [0,2,0,0,0,0|1,0,1]=4 13981 B13R0.62 C=CC(CCCCCCC)OC(C)C 7a_200011934235_100000210206 [0,2,0,0,0,0|1,0,1]=4 13982 B13R0.62 CCCCCCCC(CC)OC(C)C 34a_200011217053_100000210206 [0,2,0,0,0,0|1,0,1]=4 13983 B13R0.62 CCCCCCCC(CC)OC(C)C 7a_200011217053_100000210206 [0,2,0,0,0,0|1,0,1]=4 13984 B13R0.115 C=C(C)CC(=O)CCC(C)CCCC 1458a_100000033779_100000748629 [0,2,0,0,0,0|1,0,1]=4 13985 B13R0.115 CC(C)OC(=O)CCN(C)CCCO 2230a_100000213112_100000760027 [0,2,0,0,0,0|2,0,0]=4 13986 B13R0.115 CC(C)OC(=O)CCN(C)CCCO 269982a_100000213112_100000760027 [0,2,0,0,0,0|2,0,0]=4 13987 B13R0.115 CC(C)OC(=O)COC(C)CCCCl 34a_200000718107_100011215430 [0,2,0,0,0,0|2,0,0]=4 13988 B13R0.115 CC(C)OC(=O)COC(C)CCCCl 7a_200000718107_100011215430 [0,2,0,0,0,0|2,0,0]=4 13989 B13R0.115 CCCCC(=O)CCC(=O)NC(C)C 1458a_100000210183_100000737564 [0,2,0,0,0,0|1,0,1]=4 13990 B13R0.115 CCCCC(=O)CCC(=O)OC(C)C 1458a_100000210183_100000760027 [0,2,0,0,0,0|0,0,1]=3 13991 B13R0.115 CCCCC(=O)COC(=O)OC(C)C 1458a_100000210183_100000003507 [0,2,0,0,0,0|1,0,1]=4 13992 B13R0.115 CCCCC(C)CCC(=O)CC(C)C 1458a_100000033779_100000210624 [0,2,0,0,0,0|1,0,0]=3 13993 B13R0.115 CCCCC(C)CCC(=O)CC(C)O 1458a_100000033779_100011218427 [0,2,0,0,0,0|1,0,0]=3 13994 B13R0.115 CCCCC(C)CCC(=O)CC(F)F 1458a_100000033779_100011934356 [0,2,0,0,0,0|2,0,0]=4 13995 B13R0.115 CCCCC(C)CCC(=O)NC(C)C 11a_100138425928_100000033779 [0,2,0,0,0,0|1,0,0]=3 13996 B13R0.115 CCCCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000033779 [0,2,0,0,0,0|1,0,0]=3 13997 B13R0.115 CCCCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000033779 [0,2,0,0,0,0|1,0,0]=3 13998 B13R0.115 CCCCC(C)CCC(=O)NC(C)C 527a_100138425928_100000033779 [0,2,0,0,0,0|1,0,0]=3 13999 B13R0.115 CCCCC(C)NCC(=O)NC(C)C 2230a_100000126638_100000183996 [0,2,0,0,0,0|2,0,0]=4 14000 B13R0.115 CCCCC(C)NCC(=O)NC(C)C 2230a_100000168517_200011215066 [0,2,0,0,0,0|2,0,0]=4 14001 B13R0.115 CCCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100000210087 [0,2,0,0,0,0|2,0,0]=4 14002 B13R0.115 CCCCC(C)NCC(=O)OC(C)C 2230a_100000126638_100011215430 [0,2,0,0,0,0|1,0,0]=3 14003 B13R0.115 CCCCC(C)OCC(=O)NC(C)C 34a_100000687866_100000183996 [0,2,0,0,0,0|2,0,0]=4 14004 B13R0.115 CCCCC(C)OCC(=O)NC(C)C 7a_100000687866_100000183996 [0,2,0,0,0,0|2,0,0]=4 14005 B13R0.115 CCCCC(C)OCC(=O)OC(C)C 34a_100000687866_100011215430 [0,2,0,0,0,0|1,0,0]=3 14006 B13R0.115 CCCCC(C)OCC(=O)OC(C)C 7a_100000687866_100011215430 [0,2,0,0,0,0|1,0,0]=3 14007 B13R0.115 CCCCC(C)SCC(=O)NC(C)C 62a_100000183996_200011215066 [0,2,0,0,0,0|2,0,0]=4 14008 B13R0.115 CCCCC(C)SCC(=O)NC(C)C 62a_200011215066_100000183996 [0,2,0,0,0,0|2,0,0]=4 14009 B13R0.115 CCCCC(C)SCC(=O)OC(C)C 62a_100011215430_200011215066 [0,2,0,0,0,0|1,0,0]=3 14010 B13R0.115 CCCCC(C)SCC(=O)OC(C)C 62a_200011215066_100011215430 [0,2,0,0,0,0|1,0,0]=3 14011 B13R0.115 CCCCN(C)CCC(=O)NC(C)C 2230a_100000207549_100000737564 [0,2,0,0,0,0|2,0,0]=4 14012 B13R0.115 CCCCN(C)CCC(=O)NC(C)C 269982a_100000207549_100000737564 [0,2,0,0,0,0|2,0,0]=4 14013 B13R0.115 CCCCN(C)CCC(=O)OC(C)C 2230a_100000207549_100000760027 [0,2,0,0,0,0|1,0,0]=3 14014 B13R0.115 CCCCN(C)CCC(=O)OC(C)C 269982a_100000207549_100000760027 [0,2,0,0,0,0|1,0,0]=3 14015 B13R0.115 CCCCN(C)COC(=O)OC(C)C 269982a_100000207549_100010125566 [0,2,0,0,0,0|2,0,0]=4 14016 B13R0.115 CCOCC(=O)CCC(=O)OC(C)C 1458a_100000211967_100000760027 [0,2,0,0,0,0|1,0,1]=4 14017 B13R0.115 CCOCC(C)OCC(=O)OC(C)C 34a_100000718985_100011215430 [0,2,0,0,0,0|2,0,0]=4 14018 B13R0.115 CCOCC(C)OCC(=O)OC(C)C 7a_100000718985_100011215430 [0,2,0,0,0,0|2,0,0]=4 14019 B13R0.115 CCSCC(=O)CCC(=O)OC(C)C 1458a_100000230394_100000760027 [0,2,0,0,0,0|1,0,1]=4 14020 B13R0.115 COCCC(=O)CCC(=O)OC(C)C 1458a_100000749529_100000760027 [0,2,0,0,0,0|1,0,1]=4 14021 B13R0.115 COCCN(C)CCC(=O)OC(C)C 2230a_100000743101_100000760027 [0,2,0,0,0,0|2,0,0]=4 14022 B13R0.115 COCCN(C)CCC(=O)OC(C)C 269982a_100000743101_100000760027 [0,2,0,0,0,0|2,0,0]=4 14023 B13R0.115 CSCCC(=O)CCC(=O)OC(C)C 1458a_100000174002_100000760027 [0,2,0,0,0,0|1,0,1]=4 14024 B13R0.115 CSCCN(C)CCC(=O)OC(C)C 2230a_100000686725_100000760027 [0,2,0,0,0,0|2,0,0]=4 14025 B13R0.115 CSCCN(C)CCC(=O)OC(C)C 269982a_100000686725_100000760027 [0,2,0,0,0,0|2,0,0]=4 14026 B13R0.178 C=C(C)CC(=O)CCCCCC(C)C 1458a_100000766313_100000748629 [0,2,0,0,0,0|1,0,1]=4 14027 B13R0.178 C=C(C)CCSCCC(=O)OC(C)C 62a_100000730704_100000760027 [0,2,0,0,0,0|1,0,1]=4 14028 B13R0.178 C=C(C)CCSCCC(=O)OC(C)C 62a_100000760027_100000730704 [0,2,0,0,0,0|1,0,1]=4 14029 B13R0.178 CC(=CC(=O)CCCCCC(C)C)C 1458a_100000211388_100000210682 [0,2,0,0,0,0|1,0,1]=4 14030 B13R0.178 CC(=CC(=O)CCCCCC(C)C)Cl 1458a_200042562850_100000210682 [0,2,0,0,0,0|1,0,1]=4 14031 B13R0.178 CC(=CC(=O)CCCCCC(C)C)I 1458a_100025716642_100000210682 [0,2,0,0,0,0|1,0,1]=4 14032 B13R0.178 CC(=O)CCCCCC(=O)OC(C)C 1458a_100000070787_200010986244 [0,2,0,0,0,0|0,0,1]=3 14033 B13R0.178 CC(=O)CCCOCC(=O)OC(C)C 34a_100000759063_100011215430 [0,2,0,0,0,0|1,0,1]=4 14034 B13R0.178 CC(=O)CCCOCC(=O)OC(C)C 7a_100000759063_100011215430 [0,2,0,0,0,0|1,0,1]=4 14035 B13R0.178 CC(=O)CCCSCC(=O)OC(C)C 62a_100011215430_100011215641 [0,2,0,0,0,0|1,0,1]=4 14036 B13R0.178 CC(=O)CCCSCC(=O)OC(C)C 62a_100011215641_100011215430 [0,2,0,0,0,0|1,0,1]=4 14037 B13R0.178 CC(=O)CCOCCC(=O)OC(C)C 7a_100000759926_100000760027 [0,2,0,0,0,0|1,0,1]=4 14038 B13R0.178 CC(=O)CCSCCC(=O)OC(C)C 62a_100000053229_100000760027 [0,2,0,0,0,0|1,0,1]=4 14039 B13R0.178 CC(=O)CCSCCC(=O)OC(C)C 62a_100000760027_100000053229 [0,2,0,0,0,0|1,0,1]=4 14040 B13R0.178 CC(C)CCCCCC(=O)CC(C)C 1458a_100000210554_100000210682 [0,2,0,0,0,0|1,0,0]=3 14041 B13R0.178 CC(C)CCCCCC(=O)CC(C)C 1458a_100000766313_100000210624 [0,2,0,0,0,0|1,0,0]=3 14042 B13R0.178 CC(C)CCCCCC(=O)CC(C)O 1458a_100000766313_100011218427 [0,2,0,0,0,0|1,0,0]=3 14043 B13R0.178 CC(C)CCCCCC(=O)CC(F)F 1458a_100000766313_100011934356 [0,2,0,0,0,0|2,0,0]=4 14044 B13R0.178 CC(C)CCCCCC(=O)CN(C)C 1458a_100000750896_100000210682 [0,2,0,0,0,0|2,0,0]=4 14045 B13R0.178 CC(C)CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210682 [0,2,0,0,0,0|1,0,0]=3 14046 B13R0.178 CC(C)CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210682 [0,2,0,0,0,0|2,0,0]=4 14047 B13R0.178 CC(C)CCCCCC(=O)NC(C)C 11a_100138425928_100000766313 [0,2,0,0,0,0|1,0,0]=3 14048 B13R0.178 CC(C)CCCCCC(=O)NC(C)C 1626a_100138425928_100000766313 [0,2,0,0,0,0|1,0,0]=3 14049 B13R0.178 CC(C)CCCCCC(=O)NC(C)C 240690a_100138425928_100000766313 [0,2,0,0,0,0|1,0,0]=3 14050 B13R0.178 CC(C)CCCCCC(=O)NC(C)C 527a_100138425928_100000766313 [0,2,0,0,0,0|1,0,0]=3 14051 B13R0.178 CC(C)CCCNCC(=O)NC(C)C 2230a_100000168517_100011214892 [0,2,0,0,0,0|2,0,0]=4 14052 B13R0.178 CC(C)CCCNCC(=O)NC(C)C 2230a_200000737386_100000183996 [0,2,0,0,0,0|2,0,0]=4 14053 B13R0.178 CC(C)CCCNCC(=O)NC(C)C 34a_200000737386_100000183996 [0,2,0,0,0,0|2,0,0]=4 14054 B13R0.178 CC(C)CCCNCC(=O)OC(C)C 2230a_200000737386_100011215430 [0,2,0,0,0,0|1,0,0]=3 14055 B13R0.178 CC(C)CCCNCC(=O)OC(C)C 34a_200000737386_100011215430 [0,2,0,0,0,0|1,0,0]=3 14056 B13R0.178 CC(C)CCCOCC(=O)NC(C)C 34a_100000210774_100000183996 [0,2,0,0,0,0|2,0,0]=4 14057 B13R0.178 CC(C)CCCOCC(=O)NC(C)C 7a_100000210774_100000183996 [0,2,0,0,0,0|2,0,0]=4 14058 B13R0.178 CC(C)CCCOCC(=O)OC(C)C 34a_100000210774_100011215430 [0,2,0,0,0,0|1,0,0]=3 14059 B13R0.178 CC(C)CCCOCC(=O)OC(C)C 7a_100000210774_100011215430 [0,2,0,0,0,0|1,0,0]=3 14060 B13R0.178 CC(C)CCCSCC(=O)NC(C)C 62a_100000183996_100011214892 [0,2,0,0,0,0|2,0,0]=4 14061 B13R0.178 CC(C)CCCSCC(=O)NC(C)C 62a_100011214892_100000183996 [0,2,0,0,0,0|2,0,0]=4 14062 B13R0.178 CC(C)CCCSCC(=O)OC(C)C 62a_100011214892_100011215430 [0,2,0,0,0,0|1,0,0]=3 14063 B13R0.178 CC(C)CCCSCC(=O)OC(C)C 62a_100011215430_100011214892 [0,2,0,0,0,0|1,0,0]=3 14064 B13R0.178 CC(C)CCOCCC(=O)NC(C)C 7a_100000210254_100000737564 [0,2,0,0,0,0|2,0,0]=4 14065 B13R0.178 CC(C)CCOCCC(=O)OC(C)C 7a_100000210254_100000760027 [0,2,0,0,0,0|1,0,0]=3 14066 B13R0.178 CC(C)CCSCCC(=O)NC(C)C 62a_100000210312_100000737564 [0,2,0,0,0,0|2,0,0]=4 14067 B13R0.178 CC(C)CCSCCC(=O)NC(C)C 62a_100000737564_100000210312 [0,2,0,0,0,0|2,0,0]=4 14068 B13R0.178 CC(C)CCSCCC(=O)OC(C)C 62a_100000210312_100000760027 [0,2,0,0,0,0|1,0,0]=3 14069 B13R0.178 CC(C)CCSCCC(=O)OC(C)C 62a_100000760027_100000210312 [0,2,0,0,0,0|1,0,0]=3 14070 B13R0.178 CC(C)CCSCOC(=O)OC(C)C 62a_100000003507_100000210312 [0,2,0,0,0,0|2,0,0]=4 14071 B13R0.178 CC(C)CCSCOC(=O)OC(C)C 62a_100000210312_100000003507 [0,2,0,0,0,0|2,0,0]=4 14072 B13R0.178 CC(C)NCCOCC(=O)OC(C)C 34a_100000224655_100011215430 [0,2,0,0,0,0|2,0,0]=4 14073 B13R0.178 CC(C)OC(=O)CCCCCN(C)C 2230a_100102631434_200010986244 [0,2,0,0,0,0|1,0,0]=3 14074 B13R0.178 CC(C)OC(=O)CCCCCN(C)C 269982a_100102631434_200010986244 [0,2,0,0,0,0|1,0,0]=3 14075 B13R0.178 CC(C)OC(=O)CCSCCN(C)C 62a_100000760027_100000755713 [0,2,0,0,0,0|2,0,0]=4 14076 B13R0.178 CC(C)OC(=O)CNCCCS(=O)C 2230a_200000753449_100011215430 [0,2,0,0,0,0|2,0,0]=4 14077 B13R0.178 CC(C)OC(=O)CNCCSC(C)C 2230a_100000731138_100011215430 [0,2,0,0,0,0|2,0,0]=4 14078 B13R0.178 CC(C)OC(=O)CNCCSC(C)C 34a_100000731138_100011215430 [0,2,0,0,0,0|2,0,0]=4 14079 B13R0.178 CC(C)OC(=O)COCCSC(C)C 34a_200011212901_100011215430 [0,2,0,0,0,0|2,0,0]=4 14080 B13R0.178 CC(C)OC(=O)COCCSC(C)C 7a_200011212901_100011215430 [0,2,0,0,0,0|2,0,0]=4 14081 B13R0.178 CC(C)OC(=O)CSCCCN(C)C 62a_100011215430_100000757444 [0,2,0,0,0,0|2,0,0]=4 14082 B13R0.178 CC(C)OC(=O)CSCCSC(C)C 62a_100000730970_100011215430 [0,2,0,0,0,0|2,0,0]=4 14083 B13R0.178 CC(C)OC(=O)CSCCSC(C)C 62a_100011215430_100000730970 [0,2,0,0,0,0|2,0,0]=4 14084 B13R0.178 CC(C)OCCNCC(=O)OC(C)C 2230a_100000701111_100011215430 [0,2,0,0,0,0|2,0,0]=4 14085 B13R0.178 CC(C)OCCNCC(=O)OC(C)C 34a_100000701111_100011215430 [0,2,0,0,0,0|2,0,0]=4 14086 B13R0.178 CC(C)OCCOCC(=O)OC(C)C 34a_100000211219_100011215430 [0,2,0,0,0,0|2,0,0]=4 14087 B13R0.178 CC(C)OCCOCC(=O)OC(C)C 7a_100000211219_100011215430 [0,2,0,0,0,0|2,0,0]=4 14088 B13R0.178 CC(C)OCCSCC(=O)OC(C)C 62a_100000211751_100011215430 [0,2,0,0,0,0|2,0,0]=4 14089 B13R0.178 CC(C)OCCSCC(=O)OC(C)C 62a_100011215430_100000211751 [0,2,0,0,0,0|2,0,0]=4 14090 B13R0.178 CC(C)OCSCCC(=O)OC(C)C 62a_100000709892_100000760027 [0,2,0,0,0,0|2,0,0]=4 14091 B13R0.178 CC(C)OCSCCC(=O)OC(C)C 62a_100000760027_100000709892 [0,2,0,0,0,0|2,0,0]=4 14092 B13R0.178 CC(O)CCCNCC(=O)NC(C)C 2230a_100000168517_200000718107 [0,2,0,0,0,0|2,0,0]=4 14093 B13R0.178 CC(O)CCCSCC(=O)NC(C)C 62a_100000183996_200000718107 [0,2,0,0,0,0|2,0,0]=4 14094 B13R0.178 CC(O)CCCSCC(=O)NC(C)C 62a_200000718107_100000183996 [0,2,0,0,0,0|2,0,0]=4 14095 B13R0.178 CC(O)CCCSCC(=O)OC(C)C 62a_100011215430_200000718107 [0,2,0,0,0,0|1,0,0]=3 14096 B13R0.178 CC(O)CCCSCC(=O)OC(C)C 62a_200000718107_100011215430 [0,2,0,0,0,0|1,0,0]=3 14097 B13R0.178 CC(O)CCNCCC(=O)NC(C)C 2230a_200000755665_100000737564 [0,2,0,0,0,0|2,0,0]=4 14098 B13R0.178 CC(O)CCNCCC(=O)OC(C)C 2230a_200000755665_100000760027 [0,2,0,0,0,0|1,0,0]=3 14099 B13R0.178 CC(O)CCSCCC(=O)NC(C)C 62a_100000737564_100012276601 [0,2,0,0,0,0|2,0,0]=4 14100 B13R0.178 CC(O)CCSCCC(=O)NC(C)C 62a_100012276601_100000737564 [0,2,0,0,0,0|2,0,0]=4 14101 B13R0.178 CC(O)CCSCCC(=O)OC(C)C 62a_100000760027_100012276601 [0,2,0,0,0,0|1,0,0]=3 14102 B13R0.178 CC(O)CCSCCC(=O)OC(C)C 62a_100012276601_100000760027 [0,2,0,0,0,0|1,0,0]=3 14103 B13R0.178 CC(O)CCSCOC(=O)OC(C)C 62a_100000003507_100012276601 [0,2,0,0,0,0|2,0,0]=4 14104 B13R0.178 CC(O)CCSCOC(=O)OC(C)C 62a_100012276601_100000003507 [0,2,0,0,0,0|2,0,0]=4 14105 B13R0.198 CC(C)OC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000760027 [0,2,0,0,0,0|2,0,0]=4 14106 B13R0.198 CC(C)OC(=O)CCSCC(O)CO 62a_100000760027_100011219619 [0,2,0,0,0,0|2,0,0]=4 14107 B13R0.198 CC(C)OC(=O)CCSCC(O)CO 62a_100011219619_100000760027 [0,2,0,0,0,0|2,0,0]=4 14108 B13R0.198 CC(C)OC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000760027 [0,2,0,0,0,0|2,0,0]=4 14109 B13R0.198 CC(C)OC(=O)CCSC[C@@H](C)CO 62a_100000760027_100000059175 [0,2,0,0,0,0|2,0,0]=4 14110 B13R0.198 CC(C)OC(=O)CCSC[C@@H](O)CF 62a_100000760027_100015614560 [0,2,0,0,0,0|2,0,0]=4 14111 B13R0.198 CC(C)OC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000760027 [0,2,0,0,0,0|2,0,0]=4 14112 B13R0.198 CC(C)OC(=O)CCSC[C@@H](O)CO 62a_100000760027_100009815848 [0,2,0,0,0,0|2,0,0]=4 14113 B13R0.198 CC(C)OC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000760027 [0,2,0,0,0,0|2,0,0]=4 14114 B13R0.198 CC(CO)CCNCC(=O)OC(C)C 2230a_106354213184_100011215430 [0,2,0,0,0,0|2,0,0]=4 14115 B13R0.198 CC(CO)CCNCC(=O)OC(C)C 34a_106354213184_100011215430 [0,2,0,0,0,0|2,0,0]=4 14116 B13R0.198 CCC(=O)CSCCC(=O)OC(C)C 62a_100000747405_100000760027 [0,2,0,0,0,0|1,0,1]=4 14117 B13R0.198 CCC(=O)CSCCC(=O)OC(C)C 62a_100000760027_100000747405 [0,2,0,0,0,0|1,0,1]=4 14118 B13R0.198 CCC(C)CCNCC(=O)NC(C)C 2230a_100020591266_100000183996 [0,2,0,0,0,0|2,0,0]=4 14119 B13R0.198 CCC(C)CCNCC(=O)OC(C)C 2230a_100020591266_100011215430 [0,2,0,0,0,0|1,0,0]=3 14120 B13R0.198 CCC(C)CCOCC(=O)NC(C)C 7a_100011215188_100000183996 [0,2,0,0,0,0|2,0,0]=4 14121 B13R0.198 CCC(C)CCOCC(=O)OC(C)C 7a_100011215188_100011215430 [0,2,0,0,0,0|1,0,0]=3 14122 B13R0.198 CCC(C)CNCCC(=O)NC(C)C 2230a_100020588543_100000737564 [0,2,0,0,0,0|2,0,0]=4 14123 B13R0.198 CCC(C)CNCCC(=O)OC(C)C 2230a_100020588543_100000760027 [0,2,0,0,0,0|1,0,0]=3 14124 B13R0.198 CCC(C)CSCCC(=O)NC(C)C 62a_100000737564_100000748023 [0,2,0,0,0,0|2,0,0]=4 14125 B13R0.198 CCC(C)CSCCC(=O)NC(C)C 62a_100000748023_100000737564 [0,2,0,0,0,0|2,0,0]=4 14126 B13R0.198 CCC(C)CSCCC(=O)OC(C)C 62a_100000748023_100000760027 [0,2,0,0,0,0|1,0,0]=3 14127 B13R0.198 CCC(C)CSCCC(=O)OC(C)C 62a_100000760027_100000748023 [0,2,0,0,0,0|1,0,0]=3 14128 B13R0.198 CCC(C)CSCOC(=O)OC(C)C 62a_100000003507_100000748023 [0,2,0,0,0,0|2,0,0]=4 14129 B13R0.198 CCC(C)CSCOC(=O)OC(C)C 62a_100000748023_100000003507 [0,2,0,0,0,0|2,0,0]=4 14130 B13R0.198 CCC(O)CNCCC(=O)NC(C)C 2230a_100011218483_100000737564 [0,2,0,0,0,0|2,0,0]=4 14131 B13R0.198 CCC(O)CNCCC(=O)OC(C)C 2230a_100011218483_100000760027 [0,2,0,0,0,0|1,0,0]=3 14132 B13R0.198 CCC(O)CSCCC(=O)NC(C)C 62a_100000737564_100011218378 [0,2,0,0,0,0|2,0,0]=4 14133 B13R0.198 CCC(O)CSCCC(=O)NC(C)C 62a_100011218378_100000737564 [0,2,0,0,0,0|2,0,0]=4 14134 B13R0.198 CCC(O)CSCCC(=O)OC(C)C 62a_100000760027_100011218378 [0,2,0,0,0,0|1,0,0]=3 14135 B13R0.198 CCC(O)CSCCC(=O)OC(C)C 62a_100011218378_100000760027 [0,2,0,0,0,0|1,0,0]=3 14136 B13R0.198 CCC(O)CSCOC(=O)OC(C)C 62a_100000003507_100011218378 [0,2,0,0,0,0|2,0,0]=4 14137 B13R0.198 CCC(O)CSCOC(=O)OC(C)C 62a_100011218378_100000003507 [0,2,0,0,0,0|2,0,0]=4 14138 B13R0.198 CC[C@H](C)COCCC(=O)NC(C)C 7a_100009816381_100000737564 [0,2,0,0,0,0|2,0,0]=4 14139 B13R0.198 CC[C@H](C)COCCC(=O)OC(C)C 7a_100009816381_100000760027 [0,2,0,0,0,0|1,0,0]=3 14140 B13R0.198 CC[C@H](C)CSCCC(=O)NC(C)C 62a_100000737564_100009816398 [0,2,0,0,0,0|2,0,0]=4 14141 B13R0.198 CC[C@H](C)CSCCC(=O)NC(C)C 62a_100009816398_100000737564 [0,2,0,0,0,0|2,0,0]=4 14142 B13R0.198 CC[C@H](C)CSCCC(=O)OC(C)C 62a_100000760027_100009816398 [0,2,0,0,0,0|1,0,0]=3 14143 B13R0.198 CC[C@H](C)CSCCC(=O)OC(C)C 62a_100009816398_100000760027 [0,2,0,0,0,0|1,0,0]=3 14144 B13R0.198 CC[C@H](C)CSCOC(=O)OC(C)C 62a_100000003507_100009816398 [0,2,0,0,0,0|2,0,0]=4 14145 B13R0.198 CC[C@H](C)CSCOC(=O)OC(C)C 62a_100009816398_100000003507 [0,2,0,0,0,0|2,0,0]=4 14146 B13R0.198 COC(C)CCOCC(=O)OC(C)C 7a_100000764861_100011215430 [0,2,0,0,0,0|2,0,0]=4 14147 B13R0.198 CO[C@H](C)CNCCC(=O)OC(C)C 2230a_100020591295_100000760027 [0,2,0,0,0,0|2,0,0]=4 14148 B13R0.274 C#CC(C)NC(=O)CCCCCCC 11a_100000707721_100000211969 [0,2,0,0,0,0|1,0,0]=3 14149 B13R0.274 C#CC(C)NC(=O)CCCCCCC 1626a_100000707721_100000211969 [0,2,0,0,0,0|1,0,0]=3 14150 B13R0.274 C#CC(C)NC(=O)CCCCCCC 240690a_100000707721_100000211969 [0,2,0,0,0,0|1,0,0]=3 14151 B13R0.274 C#CC(C)NC(=O)CCCCCCC 527a_100000707721_100000211969 [0,2,0,0,0,0|1,0,0]=3 14152 B13R0.274 C#CC(C)NC(=O)CCCCCCO 240690a_100000707721_100011996774 [0,2,0,0,0,0|2,0,0]=4 14153 B13R0.274 C#CC(C)NC(=O)CCCCCOC 11a_100000707721_100011935119 [0,2,0,0,0,0|2,0,0]=4 14154 B13R0.274 C#CC(C)NC(=O)CCCCCOC 1626a_100000707721_100011935119 [0,2,0,0,0,0|2,0,0]=4 14155 B13R0.274 C#CC(C)NC(=O)CCCCCOC 240690a_100000707721_100011935119 [0,2,0,0,0,0|2,0,0]=4 14156 B13R0.274 C#CC(C)NC(=O)CCCCCOC 527a_100000707721_100011935119 [0,2,0,0,0,0|2,0,0]=4 14157 B13R0.274 C#CC(C)NC(=O)NCCCCCC 2708a_100000210581_100000707721 [0,2,0,0,0,0|2,0,0]=4 14158 B13R0.274 C#CC(C)NC(=O)NCCCCCC 2708a_100000707721_100000210581 [0,2,0,0,0,0|2,0,0]=4 14159 B13R0.274 C#CC(C)NC(=O)NCCCCCC 273464a_100000210581_100000707721 [0,2,0,0,0,0|2,0,0]=4 14160 B13R0.274 C#CC(C)NC(=O)NCCCCCC 273464a_100000707721_100000210581 [0,2,0,0,0,0|2,0,0]=4 14161 B13R0.274 C#CC(C)NC(=O)NCCCCCC 512a_100000210581_100000707721 [0,2,0,0,0,0|2,0,0]=4 14162 B13R0.274 C#CC(C)NC(=O)NCCCCCC 512a_100000707721_100000210581 [0,2,0,0,0,0|2,0,0]=4 14163 B13R0.274 C#CC(C)OC(C)CCCCCCC 34a_200011215852_200000035995 [0,2,0,0,0,0|1,0,1]=4 14164 B13R0.274 C#C[C@@H](C)OC(C)CCCCCCC 34a_100009815206_200011218727 [0,2,0,0,0,0|1,0,1]=4 14165 B13R0.274 C#C[C@@H](C)OC(C)CCCCCCC 7a_100009815206_200011218727 [0,2,0,0,0,0|1,0,1]=4 14166 B13R0.274 C=CC(C)CC(=O)CCCCCCC 1458a_100011934298_100000210614 [0,2,0,0,0,0|1,0,0]=3 14167 B13R0.274 C=CC(C)CC(=O)CCCCCCF 1458a_100011934298_100015922095 [0,2,0,0,0,0|2,0,0]=4 14168 B13R0.274 C=CC(C)CC(=O)CCCCCCO 1458a_100011934298_100000766143 [0,2,0,0,0,0|2,0,0]=4 14169 B13R0.274 C=CC(C)CC(=O)CCOCCCC 1458a_100011934298_100000743108 [0,2,0,0,0,0|2,0,0]=4 14170 B13R0.274 C=CC(C)CC(=O)NCCCCCC 11a_100000210581_100011934298 [0,2,0,0,0,0|2,0,0]=4 14171 B13R0.274 C=CC(C)CC(=O)NCCCCCC 1626a_100000210581_100011934298 [0,2,0,0,0,0|2,0,0]=4 14172 B13R0.274 C=CC(C)CC(=O)NCCCCCC 240690a_100000210581_100011934298 [0,2,0,0,0,0|2,0,0]=4 14173 B13R0.274 C=CC(C)CC(=O)NCCCCCC 527a_100000210581_100011934298 [0,2,0,0,0,0|2,0,0]=4 14174 B13R0.274 C=CC(C)OC(C)CCCCCCC 34a_100000695699_200011218727 [0,2,0,0,0,0|1,0,1]=4 14175 B13R0.274 CCC(=CC(=O)CCCCCCF)C 1458a_100020758463_100015922095 [0,2,0,0,0,0|2,0,0]=4 14176 B13R0.274 CCC(=CC(=O)CCCCCCO)C 1458a_100020758463_100000766143 [0,2,0,0,0,0|2,0,0]=4 14177 B13R0.274 CCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747405 [0,2,0,0,0,0|2,0,0]=4 14178 B13R0.274 CCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747405 [0,2,0,0,0,0|2,0,0]=4 14179 B13R0.274 CCC(C)CC(=O)CCCCCCF 1458a_100000708755_100015922095 [0,2,0,0,0,0|2,0,0]=4 14180 B13R0.274 CCC(C)CC(=O)CCCCCCO 1458a_100000708755_100000766143 [0,2,0,0,0,0|2,0,0]=4 14181 B13R0.274 CCC(C)CC(=O)CCCCCCO 1458a_100011996774_100000748023 [0,2,0,0,0,0|2,0,0]=4 14182 B13R0.274 CCC(C)CC(=O)CCCCCOC 1458a_100011935119_100000748023 [0,2,0,0,0,0|2,0,0]=4 14183 B13R0.274 CCC(C)NC(=O)CCCCCCO 240690a_100000209981_100011996774 [0,2,0,0,0,0|2,0,0]=4 14184 B13R0.274 CCC(C)NC(=O)CCCCCOC 11a_100000209981_100011935119 [0,2,0,0,0,0|2,0,0]=4 14185 B13R0.274 CCC(C)NC(=O)CCCCCOC 1626a_100000209981_100011935119 [0,2,0,0,0,0|2,0,0]=4 14186 B13R0.274 CCC(C)NC(=O)CCCCCOC 240690a_100000209981_100011935119 [0,2,0,0,0,0|2,0,0]=4 14187 B13R0.274 CCC(C)NC(=O)CCCCCOC 527a_100000209981_100011935119 [0,2,0,0,0,0|2,0,0]=4 14188 B13R0.274 CCC(O)CC(=O)CCCCCCF 1458a_100011667805_100015922095 [0,2,0,0,0,0|2,0,0]=4 14189 B13R0.274 CCC(O)CC(=O)CCCCCCO 1458a_100011667805_100000766143 [0,2,0,0,0,0|2,0,0]=4 14190 B13R0.274 CCC(O)CC(=O)CCCCCCO 1458a_100011996774_100011218378 [0,2,0,0,0,0|2,0,0]=4 14191 B13R0.274 CCC(O)CC(=O)CCCCCOC 1458a_100011935119_100011218378 [0,2,0,0,0,0|2,0,0]=4 14192 B13R0.274 CCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210614 [0,2,0,0,0,0|1,0,0]=3 14193 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [0,2,0,0,0,0|1,0,0]=3 14194 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [0,2,0,0,0,0|1,0,1]=4 14195 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [0,2,0,0,0,0|1,0,1]=4 14196 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [0,2,0,0,0,0|1,0,1]=4 14197 B13R0.274 CCCCCCCC(=O)CC(C)CC 1458a_100000211969_100000748023 [0,2,0,0,0,0|1,0,0]=3 14198 B13R0.274 CCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210614 [0,2,0,0,0,0|1,0,0]=3 14199 B13R0.274 CCCCCCCC(=O)CC(O)CC 1458a_100000211969_100011218378 [0,2,0,0,0,0|1,0,0]=3 14200 B13R0.274 CCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210614 [0,2,0,0,0,0|1,0,0]=3 14201 B13R0.274 CCCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210614 [0,2,0,0,0,0|1,0,0]=3 14202 B13R0.274 CCCCCCCC(=O)C[C@@H](C)CC 1458a_100000211969_100009816398 [0,2,0,0,0,0|1,0,0]=3 14203 B13R0.274 CCCCCCCC(=O)C[C@@H](C)CO 1458a_100000211969_100000059175 [0,2,0,0,0,0|1,0,0]=3 14204 B13R0.274 CCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000211969 [0,2,0,0,0,0|1,0,0]=3 14205 B13R0.274 CCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000211969 [0,2,0,0,0,0|1,0,0]=3 14206 B13R0.274 CCCCCCCC(=O)NC(C)C#N 527a_100000737613_100000211969 [0,2,0,0,0,0|1,0,0]=3 14207 B13R0.274 CCCCCCCC(=O)NC(C)CC 11a_100000209981_100000211969 [0,2,0,0,0,0|1,0,0]=3 14208 B13R0.274 CCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000211969 [0,2,0,0,0,0|1,0,0]=3 14209 B13R0.274 CCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000211969 [0,2,0,0,0,0|1,0,0]=3 14210 B13R0.274 CCCCCCCC(=O)NC(C)CC 527a_100000209981_100000211969 [0,2,0,0,0,0|1,0,0]=3 14211 B13R0.274 CCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000211969 [0,2,0,0,0,0|1,0,0]=3 14212 B13R0.274 CCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211969 [0,2,0,0,0,0|1,0,0]=3 14213 B13R0.274 CCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211969 [0,2,0,0,0,0|1,0,0]=3 14214 B13R0.274 CCCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000211969 [0,2,0,0,0,0|1,0,0]=3 14215 B13R0.274 CCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211969 [0,2,0,0,0,0|1,0,0]=3 14216 B13R0.274 CCCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000211969 [0,2,0,0,0,0|1,0,0]=3 14217 B13R0.274 CCCCCCCC(C)OC(C)C#N 34a_100011218135_200011218727 [0,2,0,0,0,0|1,0,1]=4 14218 B13R0.274 CCCCCCCC(C)OC(C)C#N 7a_200011215852_100000703298 [0,2,0,0,0,0|1,0,1]=4 14219 B13R0.274 CCCCCCCC(C)OC(C)CC 34a_200011215852_100011215416 [0,2,0,0,0,0|1,0,1]=4 14220 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_100000210228_200011218727 [0,2,0,0,0,0|1,0,1]=4 14221 B13R0.274 CCCCCCCC(C)OC(C)CC 7a_200011215852_100000758301 [0,2,0,0,0,0|1,0,1]=4 14222 B13R0.274 CCCCCCCC(C)OC(C)CF 34a_100016041109_200011218727 [0,2,0,0,0,0|1,0,1]=4 14223 B13R0.274 CCCCCCCC(C)OC(C)CF 7a_100016041109_200011218727 [0,2,0,0,0,0|1,0,1]=4 14224 B13R0.274 CCCCCCCC(C)OC(C)CN 34a_100000210904_200011218727 [0,2,0,0,0,0|1,0,1]=4 14225 B13R0.274 CCCCCCCC(C)OC(C)CO 34a_200011215852_100012180447 [0,2,0,0,0,0|1,0,1]=4 14226 B13R0.274 CCCCCCCC(C)OC(C)CO 7a_200011215852_100012180447 [0,2,0,0,0,0|1,0,1]=4 14227 B13R0.274 CCCCCCNC(=O)C=C(C)CC 11a_100000210581_100020758463 [0,2,0,0,0,0|2,0,0]=4 14228 B13R0.274 CCCCCCNC(=O)C=C(C)CC 1626a_100000210581_100020758463 [0,2,0,0,0,0|2,0,0]=4 14229 B13R0.274 CCCCCCNC(=O)C=C(C)CC 240690a_100000210581_100020758463 [0,2,0,0,0,0|2,0,0]=4 14230 B13R0.274 CCCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230325 [0,2,0,0,0,0|2,0,0]=4 14231 B13R0.274 CCCCCCNC(=O)CC(C)CC 11a_100000210581_100000708755 [0,2,0,0,0,0|2,0,0]=4 14232 B13R0.274 CCCCCCNC(=O)CC(C)CC 1626a_100000210581_100000708755 [0,2,0,0,0,0|2,0,0]=4 14233 B13R0.274 CCCCCCNC(=O)CC(C)CC 240690a_100000210581_100000708755 [0,2,0,0,0,0|2,0,0]=4 14234 B13R0.274 CCCCCCNC(=O)CC(C)CC 527a_100000210581_100000708755 [0,2,0,0,0,0|2,0,0]=4 14235 B13R0.274 CCCCCCNC(=O)CC(O)CC 1626a_100000210581_100011667805 [0,2,0,0,0,0|2,0,0]=4 14236 B13R0.274 CCCCCCNC(=O)CC(O)CC 240690a_100000210581_100011667805 [0,2,0,0,0,0|2,0,0]=4 14237 B13R0.274 CCCCCCNC(=O)CN(C)CC 2230a_100000225621_100000230325 [0,2,0,0,0,0|2,0,0]=4 14238 B13R0.274 CCCCCCNC(=O)CN(C)CC 240690a_100000210581_100116209913 [0,2,0,0,0,0|2,0,0]=4 14239 B13R0.274 CCCCCCNC(=O)CN(C)CC 269982a_100000225621_100000230325 [0,2,0,0,0,0|2,0,0]=4 14240 B13R0.274 CCCCCCNC(=O)CN(C)CC 527a_100000210581_100116209913 [0,2,0,0,0,0|2,0,0]=4 14241 B13R0.274 CCCCCCNC(=O)NC(C)C#N 2708a_100000210581_100000737613 [0,2,0,0,0,0|2,0,0]=4 14242 B13R0.274 CCCCCCNC(=O)NC(C)C#N 2708a_100000737613_100000210581 [0,2,0,0,0,0|2,0,0]=4 14243 B13R0.274 CCCCCCNC(=O)NC(C)C#N 273464a_100000210581_100000737613 [0,2,0,0,0,0|2,0,0]=4 14244 B13R0.274 CCCCCCNC(=O)NC(C)C#N 273464a_100000737613_100000210581 [0,2,0,0,0,0|2,0,0]=4 14245 B13R0.274 CCCCCCNC(=O)NC(C)C#N 512a_100000210581_100000737613 [0,2,0,0,0,0|2,0,0]=4 14246 B13R0.274 CCCCCCNC(=O)NC(C)C#N 512a_100000737613_100000210581 [0,2,0,0,0,0|2,0,0]=4 14247 B13R0.274 CCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000210581 [0,2,0,0,0,0|2,0,0]=4 14248 B13R0.274 CCCCCCNC(=O)NC(C)CC 2708a_100000210581_100000209981 [0,2,0,0,0,0|2,0,0]=4 14249 B13R0.274 CCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000210581 [0,2,0,0,0,0|2,0,0]=4 14250 B13R0.274 CCCCCCNC(=O)NC(C)CC 273464a_100000210581_100000209981 [0,2,0,0,0,0|2,0,0]=4 14251 B13R0.274 CCCCCCNC(=O)NC(C)CC 512a_100000209981_100000210581 [0,2,0,0,0,0|2,0,0]=4 14252 B13R0.274 CCCCCCNC(=O)NC(C)CC 512a_100000210581_100000209981 [0,2,0,0,0,0|2,0,0]=4 14253 B13R0.274 CCCCCCNC(=O)N[C@H](C)CF 2708a_100000210581_100102880703 [0,2,0,0,0,0|2,0,0]=4 14254 B13R0.274 CCCCCCNC(=O)N[C@H](C)CF 273464a_100000210581_100102880703 [0,2,0,0,0,0|2,0,0]=4 14255 B13R0.274 CCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000210581 [0,2,0,0,0,0|2,0,0]=4 14256 B13R0.274 CCCCCCNC(=O)N[C@H](C)CF 512a_100000210581_100102880703 [0,2,0,0,0,0|2,0,0]=4 14257 B13R0.274 CCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000210581 [0,2,0,0,0,0|2,0,0]=4 14258 B13R0.274 CCCCCCNC(=O)N[C@H](C)CO 2708a_100000210581_100000737577 [0,2,0,0,0,0|2,0,0]=4 14259 B13R0.274 CCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000210581 [0,2,0,0,0,0|2,0,0]=4 14260 B13R0.274 CCCCCCNC(=O)N[C@H](C)CO 512a_100000210581_100000737577 [0,2,0,0,0,0|2,0,0]=4 14261 B13R0.274 CCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000210581 [0,2,0,0,0,0|2,0,0]=4 14262 B13R0.274 CCCCCNCC(=O)NC(C)CC 2230a_100000209983_100000182745 [0,2,0,0,0,0|2,0,0]=4 14263 B13R0.274 CCCCCOCC(=O)NC(C)CC 34a_100000210253_100000182745 [0,2,0,0,0,0|2,0,0]=4 14264 B13R0.274 CCCCCOCC(=O)NC(C)CC 7a_100000210253_100000182745 [0,2,0,0,0,0|2,0,0]=4 14265 B13R0.274 CCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210326 [0,2,0,0,0,0|2,0,0]=4 14266 B13R0.274 CCCCCSCC(=O)NC(C)CC 62a_100000210326_100000182745 [0,2,0,0,0,0|2,0,0]=4 14267 B13R0.274 CCCCOCCC(=O)C=C(C)CC 1458a_100020758463_100000743108 [0,2,0,0,0,0|2,0,0]=4 14268 B13R0.274 CCCCOCCC(=O)CC(C)CC 1458a_100000708755_100000743108 [0,2,0,0,0,0|2,0,0]=4 14269 B13R0.274 CCCCOCCC(=O)CC(O)CC 1458a_100011667805_100000743108 [0,2,0,0,0,0|2,0,0]=4 14270 B13R0.274 CCCCOCCC(=O)CN(C)CC 1458a_100116209913_100000743108 [0,2,0,0,0,0|2,0,0]=4 14271 B13R0.274 CCN(C)CC(=O)CCCCCCF 1458a_100116209913_100015922095 [0,2,0,0,0,0|2,0,0]=4 14272 B13R0.274 CCN(C)CC(=O)CCCCCCO 1458a_100116209913_100000766143 [0,2,0,0,0,0|2,0,0]=4 14273 B13R0.274 CC[C@H](C)CC(=O)CCCCCCO 1458a_100011996774_100009816398 [0,2,0,0,0,0|2,0,0]=4 14274 B13R0.274 CC[C@H](C)CC(=O)CCCCCOC 1458a_100011935119_100009816398 [0,2,0,0,0,0|2,0,0]=4 14275 B13R0.274 COCCCCCC(=O)C[C@@H](C)CO 1458a_100011935119_100000059175 [0,2,0,0,0,0|2,0,0]=4 14276 B13R0.274 COCCCCCC(=O)NC(C)C#N 11a_100000737613_100011935119 [0,2,0,0,0,0|2,0,0]=4 14277 B13R0.274 COCCCCCC(=O)NC(C)C#N 1626a_100000737613_100011935119 [0,2,0,0,0,0|2,0,0]=4 14278 B13R0.274 COCCCCCC(=O)NC(C)C#N 527a_100000737613_100011935119 [0,2,0,0,0,0|2,0,0]=4 14279 B13R0.274 COCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100011935119 [0,2,0,0,0,0|2,0,0]=4 14280 B13R0.274 COCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100011935119 [0,2,0,0,0,0|2,0,0]=4 14281 B13R0.274 COCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100011935119 [0,2,0,0,0,0|2,0,0]=4 14282 B13R0.274 COCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100011935119 [0,2,0,0,0,0|2,0,0]=4 14283 B13R0.274 COCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100011935119 [0,2,0,0,0,0|2,0,0]=4 14284 B13R0.274 COCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100011935119 [0,2,0,0,0,0|2,0,0]=4 14285 B13R0.274 C[C@@H](CO)CC(=O)CCCCCCO 1458a_100011996774_100000059175 [0,2,0,0,0,0|2,0,0]=4 14286 B13R0.274 C[C@H](CF)NC(=O)CCCCCCO 240690a_100102880703_100011996774 [0,2,0,0,0,0|2,0,0]=4 14287 B13R0.274 C[C@H](CO)NC(=O)CCCCCCO 240690a_100000737577_100011996774 [0,2,0,0,0,0|2,0,0]=4 14288 B13R0.286 CC(C)(C)CC(=O)CCCCCCF 1458a_100000211214_100015922095 [0,2,0,0,0,0|2,0,0]=4 14289 B13R0.286 CC(C)(C)CC(=O)CCCCCCO 1458a_100000211214_100000766143 [0,2,0,0,0,0|2,0,0]=4 14290 B13R0.286 CC(C)(C)NC(=O)CCCCCCO 240690a_100000715429_100011996774 [0,2,0,0,0,0|2,0,0]=4 14291 B13R0.286 CC(C)(C)OC(=O)CCCCCO[13CH3] 34a_100000097220_200025704644 [0,2,0,0,0,0|1,0,0]=3 14292 B13R0.286 CC(C)(C)OC(=O)CCCCCO[13CH3] 7a_100000097220_200025704644 [0,2,0,0,0,0|1,0,0]=3 14293 B13R0.286 CC(C)(C)OC(=O)CCCCCS[13CH3] 62a_100010886488_200025704644 [0,2,0,0,0,0|1,0,0]=3 14294 B13R0.286 CC(C)(C)OC(=O)CCCCCS[13CH3] 62a_200025704644_100010886488 [0,2,0,0,0,0|1,0,0]=3 14295 B13R0.286 CC(C)(C)OC(=O)CCCCSCF 62a_100010889705_100015361967 [0,2,0,0,0,0|2,0,0]=4 14296 B13R0.286 CC(C)(C)OC(=O)CCCCSCF 62a_100015361967_100010889705 [0,2,0,0,0,0|2,0,0]=4 14297 B13R0.286 CC(C)(C)OC(=O)CCCNCCF 34a_100000724931_100000708543 [0,2,0,0,0,0|2,0,0]=4 14298 B13R0.286 CC(C)(C)OC(=O)CCCNCCO 2230a_100016997473_100000708543 [0,2,0,0,0,0|2,0,0]=4 14299 B13R0.286 CC(C)(C)OC(=O)CCCNCCO 34a_100016990907_100000708543 [0,2,0,0,0,0|2,0,0]=4 14300 B13R0.286 CC(C)(C)OC(=O)CCCOCCBr 34a_100000211926_100000708543 [0,2,0,0,0,0|2,0,0]=4 14301 B13R0.286 CC(C)(C)OC(=O)CCCOCCF 34a_100000067108_100011217306 [0,2,0,0,0,0|2,0,0]=4 14302 B13R0.286 CC(C)(C)OC(=O)CCCOCCF 7a_100000067108_100011217306 [0,2,0,0,0,0|2,0,0]=4 14303 B13R0.286 CC(C)(C)OC(=O)CCCOCCN 34a_100000210304_100000708543 [0,2,0,0,0,0|2,0,0]=4 14304 B13R0.286 CC(C)(C)OC(=O)CCCOCCO 34a_100000067108_100000211926 [0,2,0,0,0,0|2,0,0]=4 14305 B13R0.286 CC(C)(C)OC(=O)CCCOCCO 7a_100000067108_100000211926 [0,2,0,0,0,0|2,0,0]=4 14306 B13R0.286 CC(C)(C)OC(=O)CCCSCCF 62a_100000708543_100011217306 [0,2,0,0,0,0|2,0,0]=4 14307 B13R0.286 CC(C)(C)OC(=O)CCCSCCF 62a_100011217306_100000708543 [0,2,0,0,0,0|2,0,0]=4 14308 B13R0.286 CC(C)(C)OC(=O)CCCSCCO 62a_100000211926_100000708543 [0,2,0,0,0,0|2,0,0]=4 14309 B13R0.286 CC(C)(C)OC(=O)CCCSCCO 62a_100000708543_100000211926 [0,2,0,0,0,0|2,0,0]=4 14310 B13R0.286 CC(C)(C)OC(=O)CCNCCCF 2230a_100015189416_100009816755 [0,2,0,0,0,0|2,0,0]=4 14311 B13R0.286 CC(C)(C)OC(=O)CCNCCCF 34a_100015189416_100009816755 [0,2,0,0,0,0|2,0,0]=4 14312 B13R0.286 CC(C)(C)OC(=O)CCOCCCBr 34a_100011217188_100009816755 [0,2,0,0,0,0|2,0,0]=4 14313 B13R0.286 CC(C)(C)OC(=O)CCOCCCCl 34a_100000230001_100009816755 [0,2,0,0,0,0|2,0,0]=4 14314 B13R0.286 CC(C)(C)OC(=O)CCOCCCF 34a_100000759539_100009816755 [0,2,0,0,0,0|2,0,0]=4 14315 B13R0.286 CC(C)(C)OC(=O)CCOCCCF 34a_100011934494_100011934791 [0,2,0,0,0,0|2,0,0]=4 14316 B13R0.286 CC(C)(C)OC(=O)CCOCCCF 7a_100011934494_100011934791 [0,2,0,0,0,0|2,0,0]=4 14317 B13R0.286 CC(C)(C)OC(=O)CCOCCCN 34a_100000182051_100009816755 [0,2,0,0,0,0|2,0,0]=4 14318 B13R0.286 CC(C)(C)OC(=O)CCOCCCO 34a_100011934494_100000230001 [0,2,0,0,0,0|2,0,0]=4 14319 B13R0.286 CC(C)(C)OC(=O)CCOCCCO 7a_100011934494_100011215043 [0,2,0,0,0,0|2,0,0]=4 14320 B13R0.286 CC(C)(C)OC(=O)CCOCCO[13CH3] 34a_100010341235_200025704644 [0,2,0,0,0,0|2,0,0]=4 14321 B13R0.286 CC(C)(C)OC(=O)CCOCCO[13CH3] 7a_100010341235_200025704644 [0,2,0,0,0,0|2,0,0]=4 14322 B13R0.286 CC(C)(C)OC(=O)CCOCCS[13CH3] 62a_100161106493_200025704644 [0,2,0,0,0,0|2,0,0]=4 14323 B13R0.286 CC(C)(C)OC(=O)CCOCCS[13CH3] 62a_200025704644_100161106493 [0,2,0,0,0,0|2,0,0]=4 14324 B13R0.286 CC(C)(C)OC(=O)CCSCCCF 62a_100009816755_100011934791 [0,2,0,0,0,0|2,0,0]=4 14325 B13R0.286 CC(C)(C)OC(=O)CCSCCCF 62a_100011934791_100009816755 [0,2,0,0,0,0|2,0,0]=4 14326 B13R0.286 CC(C)(C)OC(=O)CCSCCCO 62a_100009816755_100011215043 [0,2,0,0,0,0|2,0,0]=4 14327 B13R0.286 CC(C)(C)OC(=O)CCSCCCO 62a_100011215043_100009816755 [0,2,0,0,0,0|2,0,0]=4 14328 B13R0.286 CC(C)(C)OC(=O)CNCCCCO 2230a_100000750430_100000183872 [0,2,0,0,0,0|2,0,0]=4 14329 B13R0.286 CC(C)(C)OC(=O)CNCCCCO 34a_100000750430_100000183872 [0,2,0,0,0,0|2,0,0]=4 14330 B13R0.286 CC(C)(C)OC(=O)COCCCCBr 34a_100011216708_100000183872 [0,2,0,0,0,0|2,0,0]=4 14331 B13R0.286 CC(C)(C)OC(=O)COCCCCCl 34a_100000210776_100000183872 [0,2,0,0,0,0|2,0,0]=4 14332 B13R0.286 CC(C)(C)OC(=O)COCCCCCl 7a_100000210776_100000183872 [0,2,0,0,0,0|2,0,0]=4 14333 B13R0.286 CC(C)(C)OC(=O)COCCCCF 34a_100000752683_100000729493 [0,2,0,0,0,0|2,0,0]=4 14334 B13R0.286 CC(C)(C)OC(=O)COCCCCF 34a_100011995726_100000183872 [0,2,0,0,0,0|2,0,0]=4 14335 B13R0.286 CC(C)(C)OC(=O)COCCCCF 7a_100011995726_100000183872 [0,2,0,0,0,0|2,0,0]=4 14336 B13R0.286 CC(C)(C)OC(=O)COCCCCI 34a_200012148704_100000183872 [0,2,0,0,0,0|2,0,0]=4 14337 B13R0.286 CC(C)(C)OC(=O)COCCCCN 34a_100000750430_100000183872 [0,2,0,0,0,0|2,0,0]=4 14338 B13R0.286 CC(C)(C)OC(=O)COCCCCO 34a_100000752683_100011216708 [0,2,0,0,0,0|2,0,0]=4 14339 B13R0.286 CC(C)(C)OC(=O)CSCCCCF 62a_100000183872_100000729493 [0,2,0,0,0,0|2,0,0]=4 14340 B13R0.286 CC(C)(C)OC(=O)CSCCCCF 62a_100000729493_100000183872 [0,2,0,0,0,0|2,0,0]=4 14341 B13R0.286 CC(C)(C)OC(=O)CSCCCCO 62a_100000183872_100000210776 [0,2,0,0,0,0|2,0,0]=4 14342 B13R0.286 CC(C)(C)OC(=O)CSCCCCO 62a_100000210776_100000183872 [0,2,0,0,0,0|2,0,0]=4 14343 B13R0.286 CC(C)(C)OC(=O)NCCCCO[13CH3] 34a_100011218717_200025704644 [0,2,0,0,0,0|2,0,0]=4 14344 B13R0.286 CC(C)(C)OC(=O)NCCCCO[13CH3] 7a_100011218717_200025704644 [0,2,0,0,0,0|2,0,0]=4 14345 B13R0.286 CC(C)(C)OC(=O)NCCCCS[13CH3] 62a_100011218622_200025704644 [0,2,0,0,0,0|2,0,0]=4 14346 B13R0.286 CC(C)(C)OC(=O)NCCCCS[13CH3] 62a_200025704644_100011218622 [0,2,0,0,0,0|2,0,0]=4 14347 B13R0.286 CC(C)(O)CC(=O)CCCCCCF 1458a_100000693243_100015922095 [0,2,0,0,0,0|2,0,0]=4 14348 B13R0.286 CC(C)(O)CC(=O)CCCCCCO 1458a_100000693243_100000766143 [0,2,0,0,0,0|2,0,0]=4 14349 B13R0.286 CCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210614 [0,2,0,0,0,0|1,0,0]=3 14350 B13R0.286 CCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210614 [0,2,0,0,0,0|1,0,0]=3 14351 B13R0.286 CCCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210614 [0,2,0,0,0,0|2,0,0]=4 14352 B13R0.286 CCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210614 [0,2,0,0,0,0|2,0,0]=4 14353 B13R0.286 CCCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210614 [0,2,0,0,0,0|2,0,0]=4 14354 B13R0.286 CCCCCCCC(=O)C[Si](C)(C)C 1458a_100000211969_100000233785 [0,2,0,0,0,0|1,1,0]=4 14355 B13R0.286 CCCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210614 [0,2,0,0,0,0|1,1,0]=4 14356 B13R0.286 CCCCCCCC(=O)NC(C)(C)C 11a_100000715429_100000211969 [0,2,0,0,0,0|1,0,0]=3 14357 B13R0.286 CCCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000211969 [0,2,0,0,0,0|1,0,0]=3 14358 B13R0.286 CCCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000211969 [0,2,0,0,0,0|1,0,0]=3 14359 B13R0.286 CCCCCCCC(=O)NC(C)(C)C 527a_100000715429_100000211969 [0,2,0,0,0,0|1,0,0]=3 14360 B13R0.286 CCCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000211969 [0,2,0,0,0,0|2,0,0]=4 14361 B13R0.286 CCCCCCCC(C)OC(C)(C)C 34a_100015890283_200011218727 [0,2,0,0,0,0|1,0,1]=4 14362 B13R0.286 CCCCCCCC(C)OC(C)(C)C 34a_200011215852_100000210625 [0,2,0,0,0,0|1,0,1]=4 14363 B13R0.286 CCCCCCCC(C)OC(C)(C)C 7a_100015890283_200011218727 [0,2,0,0,0,0|1,0,1]=4 14364 B13R0.286 CCCCCCNC(=O)CC(C)(C)C 11a_100000210581_100000211214 [0,2,0,0,0,0|2,0,0]=4 14365 B13R0.286 CCCCCCNC(=O)CC(C)(C)C 1626a_100000210581_100000211214 [0,2,0,0,0,0|2,0,0]=4 14366 B13R0.286 CCCCCCNC(=O)CC(C)(C)C 240690a_100000210581_100000211214 [0,2,0,0,0,0|2,0,0]=4 14367 B13R0.286 CCCCCCNC(=O)CC(C)(C)C 527a_100000210581_100000211214 [0,2,0,0,0,0|2,0,0]=4 14368 B13R0.286 CCCCCCNC(=O)CC(C)(C)O 527a_100000210581_100000693243 [0,2,0,0,0,0|2,0,0]=4 14369 B13R0.286 CCCCCCNC(=O)NC(C)(C)C 2708a_100000210581_100000715429 [0,2,0,0,0,0|2,0,0]=4 14370 B13R0.286 CCCCCCNC(=O)NC(C)(C)C 273464a_100000210581_100000715429 [0,2,0,0,0,0|2,0,0]=4 14371 B13R0.286 CCCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000210581 [0,2,0,0,0,0|2,0,0]=4 14372 B13R0.286 CCCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000210581 [0,2,0,0,0,0|2,0,0]=4 14373 B13R0.286 CCCCCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210326 [0,2,0,0,0,0|2,0,0]=4 14374 B13R0.286 CCCCCNCC(=O)NC(C)(C)C 2230a_100000209983_100000182746 [0,2,0,0,0,0|2,0,0]=4 14375 B13R0.286 CCCCCNCC(=O)NC(C)(C)C 34a_100000174917_100000718602 [0,2,0,0,0,0|2,0,0]=4 14376 B13R0.286 CCCCCNCC(=O)OC(C)(C)C 2230a_100000209983_100000183872 [0,2,0,0,0,0|1,0,0]=3 14377 B13R0.286 CCCCCNCC(=O)O[Si](C)(C)C 2230a_100000209983_200009813336 [0,2,0,0,0,0|1,1,0]=4 14378 B13R0.286 CCCCCOCC(=O)NC(C)(C)C 34a_100000210253_100000182746 [0,2,0,0,0,0|2,0,0]=4 14379 B13R0.286 CCCCCOCC(=O)NC(C)(C)C 7a_100000210253_100000182746 [0,2,0,0,0,0|2,0,0]=4 14380 B13R0.286 CCCCCOCC(=O)OC(C)(C)C 34a_100000210253_100000183872 [0,2,0,0,0,0|1,0,0]=3 14381 B13R0.286 CCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000718602 [0,2,0,0,0,0|1,0,0]=3 14382 B13R0.286 CCCCCOCC(=O)OC(C)(C)C 7a_100000210253_100000183872 [0,2,0,0,0,0|1,0,0]=3 14383 B13R0.286 CCCCCOCC(=O)O[Si](C)(C)C 34a_100000210253_200009813336 [0,2,0,0,0,0|1,1,0]=4 14384 B13R0.286 CCCCCOCC(=O)O[Si](C)(C)C 7a_100000210253_200009813336 [0,2,0,0,0,0|1,1,0]=4 14385 B13R0.286 CCCCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210326 [0,2,0,0,0,0|2,0,0]=4 14386 B13R0.286 CCCCCSCC(=O)NC(C)(C)C 62a_100000210326_100000182746 [0,2,0,0,0,0|2,0,0]=4 14387 B13R0.286 CCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210326 [0,2,0,0,0,0|1,0,0]=3 14388 B13R0.286 CCCCCSCC(=O)OC(C)(C)C 62a_100000210326_100000183872 [0,2,0,0,0,0|1,0,0]=3 14389 B13R0.286 CCCCCSCC(=O)O[Si](C)(C)C 62a_100000210326_200009813336 [0,2,0,0,0,0|1,1,0]=4 14390 B13R0.286 CCCCCSCC(=O)O[Si](C)(C)C 62a_200009813336_100000210326 [0,2,0,0,0,0|1,1,0]=4 14391 B13R0.286 CCCCNCCC(=O)NC(C)(C)C 2230a_100000102301_100011194433 [0,2,0,0,0,0|2,0,0]=4 14392 B13R0.286 CCCCNCCC(=O)NC(C)(C)C 7a_106832991798_100011194433 [0,2,0,0,0,0|2,0,0]=4 14393 B13R0.286 CCCCNCCC(=O)OC(C)(C)C 2230a_100000102301_100009816755 [0,2,0,0,0,0|1,0,0]=3 14394 B13R0.286 CCCCNCCC(=O)OC(C)(C)C 7a_106832991798_100009816755 [0,2,0,0,0,0|1,0,0]=3 14395 B13R0.286 CCCCOCCC(=O)CC(C)(C)C 1458a_100000211214_100000743108 [0,2,0,0,0,0|2,0,0]=4 14396 B13R0.286 CCCCOCCC(=O)CC(C)(C)O 1458a_100000693243_100000743108 [0,2,0,0,0,0|2,0,0]=4 14397 B13R0.286 CCCCOCCC(=O)NC(C)(C)C 7a_100000210227_100011194433 [0,2,0,0,0,0|2,0,0]=4 14398 B13R0.286 CCCCOCCC(=O)OC(C)(C)C 34a_100000210227_100009816755 [0,2,0,0,0,0|1,0,0]=3 14399 B13R0.286 CCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210210 [0,2,0,0,0,0|1,0,0]=3 14400 B13R0.286 CCCCOCCC(=O)OC(C)(C)C 7a_100000210227_100009816755 [0,2,0,0,0,0|1,0,0]=3 14401 B13R0.286 CCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210211 [0,2,0,0,0,0|1,0,0]=3 14402 B13R0.286 CCCCSCCC(=O)NC(C)(C)C 62a_100000210211_100011194433 [0,2,0,0,0,0|2,0,0]=4 14403 B13R0.286 CCCCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210210 [0,2,0,0,0,0|2,0,0]=4 14404 B13R0.286 CCCCSCCC(=O)OC(C)(C)C 62a_100000210211_100009816755 [0,2,0,0,0,0|1,0,0]=3 14405 B13R0.286 CCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210210 [0,2,0,0,0,0|1,0,0]=3 14406 B13R0.286 CCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000210303 [0,2,0,0,0,0|1,0,0]=3 14407 B13R0.286 CCCOCCCC(=O)OC(C)(C)C 34a_100000210258_100000708543 [0,2,0,0,0,0|1,0,0]=3 14408 B13R0.286 CCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000210303 [0,2,0,0,0,0|1,0,0]=3 14409 B13R0.286 CCCOCCNC(=O)OC(C)(C)C 34a_100000743822_100000210303 [0,2,0,0,0,0|2,0,0]=4 14410 B13R0.286 CCCOCCNC(=O)OC(C)(C)C 7a_100000743822_100000210303 [0,2,0,0,0,0|2,0,0]=4 14411 B13R0.286 CCCSCCCC(=O)NC(C)(C)C 62a_100000210303_100011194434 [0,2,0,0,0,0|2,0,0]=4 14412 B13R0.286 CCCSCCCC(=O)NC(C)(C)C 62a_100011194434_100000210303 [0,2,0,0,0,0|2,0,0]=4 14413 B13R0.286 CCCSCCCC(=O)OC(C)(C)C 62a_100000210303_100000708543 [0,2,0,0,0,0|1,0,0]=3 14414 B13R0.286 CCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000210303 [0,2,0,0,0,0|1,0,0]=3 14415 B13R0.286 CCCSCCNC(=O)OC(C)(C)C 62a_100000210303_100000691259 [0,2,0,0,0,0|2,0,0]=4 14416 B13R0.286 CCCSCCNC(=O)OC(C)(C)C 62a_100000691259_100000210303 [0,2,0,0,0,0|2,0,0]=4 14417 B13R0.286 CCNCCCCC(=O)OC(C)(C)C 2230a_100015525214_100010889705 [0,2,0,0,0,0|1,0,0]=3 14418 B13R0.286 CCNCCCNC(=O)OC(C)(C)C 2230a_100015525214_100000725178 [0,2,0,0,0,0|2,0,0]=4 14419 B13R0.286 CCNCCOCC(=O)OC(C)(C)C 2230a_100015525214_100011092059 [0,2,0,0,0,0|2,0,0]=4 14420 B13R0.286 CCOCCCCC(=O)OC(C)(C)C 34a_100121572206_100010889705 [0,2,0,0,0,0|1,0,0]=3 14421 B13R0.286 CCOCCCNC(=O)OC(C)(C)C 34a_100000743756_100000210202 [0,2,0,0,0,0|2,0,0]=4 14422 B13R0.286 CCOCCCNC(=O)OC(C)(C)C 34a_100121572206_100000725178 [0,2,0,0,0,0|2,0,0]=4 14423 B13R0.286 CCOCCCNC(=O)OC(C)(C)C 7a_100000743756_100000210202 [0,2,0,0,0,0|2,0,0]=4 14424 B13R0.286 CCOCCNCC(=O)OC(C)(C)C 2230a_102516460346_100000183872 [0,2,0,0,0,0|2,0,0]=4 14425 B13R0.286 CCOCCNCC(=O)OC(C)(C)C 34a_102516460346_100000183872 [0,2,0,0,0,0|2,0,0]=4 14426 B13R0.286 CCOCCOCC(=O)OC(C)(C)C 34a_100000210136_100000183872 [0,2,0,0,0,0|2,0,0]=4 14427 B13R0.286 CCOCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210147 [0,2,0,0,0,0|2,0,0]=4 14428 B13R0.286 CCOCCOCC(=O)OC(C)(C)C 34a_100010982675_100000210202 [0,2,0,0,0,0|2,0,0]=4 14429 B13R0.286 CCOCCOCC(=O)OC(C)(C)C 34a_100121572206_100011092059 [0,2,0,0,0,0|2,0,0]=4 14430 B13R0.286 CCOCCOCC(=O)OC(C)(C)C 7a_100000210136_100000183872 [0,2,0,0,0,0|2,0,0]=4 14431 B13R0.286 CCOCCOCC(=O)OC(C)(C)C 7a_100010982675_100000210202 [0,2,0,0,0,0|2,0,0]=4 14432 B13R0.286 CCOCCSCC(=O)OC(C)(C)C 62a_100000183872_100011215890 [0,2,0,0,0,0|2,0,0]=4 14433 B13R0.286 CCOCCSCC(=O)OC(C)(C)C 62a_100000210147_100000183872 [0,2,0,0,0,0|2,0,0]=4 14434 B13R0.286 CCOCSCCC(=O)OC(C)(C)C 62a_100000739092_100009816755 [0,2,0,0,0,0|2,0,0]=4 14435 B13R0.286 CCOCSCCC(=O)OC(C)(C)C 62a_100009816755_100000739092 [0,2,0,0,0,0|2,0,0]=4 14436 B13R0.286 CCSCCCCC(=O)OC(C)(C)C 62a_100000210202_100010889705 [0,2,0,0,0,0|1,0,0]=3 14437 B13R0.286 CCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000210202 [0,2,0,0,0,0|1,0,0]=3 14438 B13R0.286 CCSCCCNC(=O)OC(C)(C)C 62a_100000210202_100000725178 [0,2,0,0,0,0|2,0,0]=4 14439 B13R0.286 CCSCCCNC(=O)OC(C)(C)C 62a_100000725178_100000210202 [0,2,0,0,0,0|2,0,0]=4 14440 B13R0.286 CCSCCNCC(=O)OC(C)(C)C 2230a_100000106463_100000183872 [0,2,0,0,0,0|2,0,0]=4 14441 B13R0.286 CCSCCOCC(=O)OC(C)(C)C 34a_100000212035_100000183872 [0,2,0,0,0,0|2,0,0]=4 14442 B13R0.286 CCSCCOCC(=O)OC(C)(C)C 34a_100000752683_100000757381 [0,2,0,0,0,0|2,0,0]=4 14443 B13R0.286 CCSCCOCC(=O)OC(C)(C)C 62a_100000210202_100011092059 [0,2,0,0,0,0|2,0,0]=4 14444 B13R0.286 CCSCCOCC(=O)OC(C)(C)C 62a_100011092059_100000210202 [0,2,0,0,0,0|2,0,0]=4 14445 B13R0.286 CCSCCOCC(=O)OC(C)(C)C 7a_100000212035_100000183872 [0,2,0,0,0,0|2,0,0]=4 14446 B13R0.286 CCSCCSCC(=O)OC(C)(C)C 62a_100000183872_100000757381 [0,2,0,0,0,0|2,0,0]=4 14447 B13R0.286 CCSCCSCC(=O)OC(C)(C)C 62a_100000757381_100000183872 [0,2,0,0,0,0|2,0,0]=4 14448 B13R0.286 CNCCCCCC(=O)OC(C)(C)C 2230a_106832991635_100010886488 [0,2,0,0,0,0|1,0,0]=3 14449 B13R0.286 CNCCCCCC(=O)OC(C)(C)C 34a_100102657272_100010886488 [0,2,0,0,0,0|1,0,0]=3 14450 B13R0.286 CNCCCCCC(=O)OC(C)(C)C 7a_106832991635_100010886488 [0,2,0,0,0,0|1,0,0]=3 14451 B13R0.286 CNCCCCNC(=O)OC(C)(C)C 2230a_106832991635_100011218622 [0,2,0,0,0,0|2,0,0]=4 14452 B13R0.286 CNCCCCNC(=O)OC(C)(C)C 34a_100102657272_100011218622 [0,2,0,0,0,0|2,0,0]=4 14453 B13R0.286 CNCCCCNC(=O)OC(C)(C)C 7a_106832991635_100011218622 [0,2,0,0,0,0|2,0,0]=4 14454 B13R0.286 CNCCCOCC(=O)OC(C)(C)C 34a_100000213112_100000183872 [0,2,0,0,0,0|2,0,0]=4 14455 B13R0.286 CNCCOCCC(=O)OC(C)(C)C 2230a_106832991635_100161106493 [0,2,0,0,0,0|2,0,0]=4 14456 B13R0.286 CNCCOCCC(=O)OC(C)(C)C 34a_100102657272_100010730554 [0,2,0,0,0,0|2,0,0]=4 14457 B13R0.286 CNCCOCCC(=O)OC(C)(C)C 7a_106832991635_100010730554 [0,2,0,0,0,0|2,0,0]=4 14458 B13R0.286 COCCCCCC(=O)NC(C)(C)C 11a_100000715429_100011935119 [0,2,0,0,0,0|2,0,0]=4 14459 B13R0.286 COCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100011935119 [0,2,0,0,0,0|2,0,0]=4 14460 B13R0.286 COCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100011935119 [0,2,0,0,0,0|2,0,0]=4 14461 B13R0.286 COCCCCCC(=O)NC(C)(C)C 527a_100000715429_100011935119 [0,2,0,0,0,0|2,0,0]=4 14462 B13R0.286 COCCCCCC(=O)OC(C)(C)C 34a_100000097220_200000210301 [0,2,0,0,0,0|1,0,0]=3 14463 B13R0.286 COCCCCCC(=O)OC(C)(C)C 34a_100138415774_100010886488 [0,2,0,0,0,0|1,0,0]=3 14464 B13R0.286 COCCCCCC(=O)OC(C)(C)C 7a_100000097220_200000210301 [0,2,0,0,0,0|1,0,0]=3 14465 B13R0.286 COCCCCNC(=O)OC(C)(C)C 34a_100011218717_200000210301 [0,2,0,0,0,0|2,0,0]=4 14466 B13R0.286 COCCCCNC(=O)OC(C)(C)C 34a_100138415774_100011218622 [0,2,0,0,0,0|2,0,0]=4 14467 B13R0.286 COCCCCNC(=O)OC(C)(C)C 7a_100011218717_200000210301 [0,2,0,0,0,0|2,0,0]=4 14468 B13R0.286 COCCCNCC(=O)OC(C)(C)C 34a_100150723488_100000183872 [0,2,0,0,0,0|2,0,0]=4 14469 B13R0.286 COCCCOCC(=O)OC(C)(C)C 34a_100000740835_100000183872 [0,2,0,0,0,0|2,0,0]=4 14470 B13R0.286 COCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000740836 [0,2,0,0,0,0|2,0,0]=4 14471 B13R0.286 COCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000709357 [0,2,0,0,0,0|2,0,0]=4 14472 B13R0.286 COCCCSCC(=O)OC(C)(C)C 62a_100000709357_100000183872 [0,2,0,0,0,0|2,0,0]=4 14473 B13R0.286 COCCNCCC(=O)OC(C)(C)C 2230a_100000209980_100009816755 [0,2,0,0,0,0|2,0,0]=4 14474 B13R0.286 COCCOCCC(=O)OC(C)(C)C 34a_100000210237_100009816755 [0,2,0,0,0,0|2,0,0]=4 14475 B13R0.286 COCCOCCC(=O)OC(C)(C)C 34a_100010341235_200000210301 [0,2,0,0,0,0|2,0,0]=4 14476 B13R0.286 COCCOCCC(=O)OC(C)(C)C 34a_100011934494_100011201679 [0,2,0,0,0,0|2,0,0]=4 14477 B13R0.286 COCCOCCC(=O)OC(C)(C)C 34a_100138415774_100010730554 [0,2,0,0,0,0|2,0,0]=4 14478 B13R0.286 COCCOCCC(=O)OC(C)(C)C 7a_100010341235_200000210301 [0,2,0,0,0,0|2,0,0]=4 14479 B13R0.286 COCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000233755 [0,2,0,0,0,0|2,0,0]=4 14480 B13R0.286 COCCSCCC(=O)OC(C)(C)C 62a_100000233755_100009816755 [0,2,0,0,0,0|2,0,0]=4 14481 B13R0.286 COCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000233755 [0,2,0,0,0,0|2,0,0]=4 14482 B13R0.286 COCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000766300 [0,2,0,0,0,0|2,0,0]=4 14483 B13R0.286 COCSCCCC(=O)OC(C)(C)C 62a_100000766300_100000708543 [0,2,0,0,0,0|2,0,0]=4 14484 B13R0.286 CSCCCCCC(=O)OC(C)(C)C 62a_100010886488_200000210301 [0,2,0,0,0,0|1,0,0]=3 14485 B13R0.286 CSCCCCCC(=O)OC(C)(C)C 62a_200000210301_100010886488 [0,2,0,0,0,0|1,0,0]=3 14486 B13R0.286 CSCCCCNC(=O)OC(C)(C)C 62a_100011218622_200000210301 [0,2,0,0,0,0|2,0,0]=4 14487 B13R0.286 CSCCCCNC(=O)OC(C)(C)C 62a_200000210301_100011218622 [0,2,0,0,0,0|2,0,0]=4 14488 B13R0.286 CSCCCNCC(=O)OC(C)(C)C 2230a_100000749238_100000183872 [0,2,0,0,0,0|2,0,0]=4 14489 B13R0.286 CSCCCOCC(=O)OC(C)(C)C 34a_100000690336_100000183872 [0,2,0,0,0,0|2,0,0]=4 14490 B13R0.286 CSCCCOCC(=O)OC(C)(C)C 7a_100000690336_100000183872 [0,2,0,0,0,0|2,0,0]=4 14491 B13R0.286 CSCCNCCC(=O)OC(C)(C)C 2230a_100020590264_100009816755 [0,2,0,0,0,0|2,0,0]=4 14492 B13R0.286 CSCCOCCC(=O)OC(C)(C)C 34a_100000230434_100009816755 [0,2,0,0,0,0|2,0,0]=4 14493 B13R0.286 CSCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000212216 [0,2,0,0,0,0|2,0,0]=4 14494 B13R0.286 CSCCOCCC(=O)OC(C)(C)C 62a_100161106493_200000210301 [0,2,0,0,0,0|2,0,0]=4 14495 B13R0.286 CSCCOCCC(=O)OC(C)(C)C 62a_200000210301_100161106493 [0,2,0,0,0,0|2,0,0]=4 14496 B13R0.286 CSCCOCCC(=O)OC(C)(C)C 7a_100000230434_100009816755 [0,2,0,0,0,0|2,0,0]=4 14497 B13R0.286 CSCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000212216 [0,2,0,0,0,0|2,0,0]=4 14498 B13R0.286 CSCCSCCC(=O)OC(C)(C)C 62a_100000212216_100009816755 [0,2,0,0,0,0|2,0,0]=4 14499 B13R0.286 CSCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000751147 [0,2,0,0,0,0|2,0,0]=4 14500 B13R0.286 CSCOCCCC(=O)OC(C)(C)C 34a_100000067108_100011218213 [0,2,0,0,0,0|2,0,0]=4 14501 B13R0.286 CSCSCCCC(=O)OC(C)(C)C 62a_100000708543_100011218213 [0,2,0,0,0,0|2,0,0]=4 14502 B13R0.286 CSCSCCCC(=O)OC(C)(C)C 62a_100011218213_100000708543 [0,2,0,0,0,0|2,0,0]=4 14503 B13R0.332 C=C(C)CC(=O)CCCC(=O)OCC 1458a_100000210991_100000748629 [0,2,0,0,0,0|0,0,2]=4 14504 B13R0.332 C=C(C)CN(C)CCCC(=O)OCC 2230a_100000225649_100009991533 [0,2,0,0,0,0|1,0,1]=4 14505 B13R0.332 C=C(C)CN(C)CCCC(=O)OCC 269982a_100000225649_100009991533 [0,2,0,0,0,0|1,0,1]=4 14506 B13R0.332 CC(C)OC(=O)CCN[C@H](C)CCO 2230a_100000706166_100000760027 [0,2,0,0,0,0|2,0,0]=4 14507 B13R0.332 CC(C)OC(=O)CCSC(C)CCO 62a_100000760027_100009893172 [0,2,0,0,0,0|2,0,0]=4 14508 B13R0.332 CC(C)OC(=O)CCSC(C)CCO 62a_100009893172_100000760027 [0,2,0,0,0,0|2,0,0]=4 14509 B13R0.332 CC(CCN)COCC(=O)OC(C)C 34a_106354213184_100011215430 [0,2,0,0,0,0|2,0,0]=4 14510 B13R0.332 CCCC(=O)CSCC(=O)OC(C)C 62a_100000747444_100011215430 [0,2,0,0,0,0|1,0,1]=4 14511 B13R0.332 CCCC(=O)CSCC(=O)OC(C)C 62a_100011215430_100000747444 [0,2,0,0,0,0|1,0,1]=4 14512 B13R0.332 CCCC(C)CNCC(=O)NC(C)C 2230a_100000168517_100011216630 [0,2,0,0,0,0|2,0,0]=4 14513 B13R0.332 CCCC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000243154 [0,2,0,0,0,0|2,0,0]=4 14514 B13R0.332 CCCC(C)COCC(=O)NC(C)C 34a_100000688023_100000183996 [0,2,0,0,0,0|2,0,0]=4 14515 B13R0.332 CCCC(C)COCC(=O)NC(C)C 7a_100000688023_100000183996 [0,2,0,0,0,0|2,0,0]=4 14516 B13R0.332 CCCC(C)COCC(=O)OC(C)C 34a_100000688023_100011215430 [0,2,0,0,0,0|1,0,0]=3 14517 B13R0.332 CCCC(C)COCC(=O)OC(C)C 7a_100000688023_100011215430 [0,2,0,0,0,0|1,0,0]=3 14518 B13R0.332 CCCC(C)CSCC(=O)NC(C)C 62a_100000183996_100011216630 [0,2,0,0,0,0|2,0,0]=4 14519 B13R0.332 CCCC(C)CSCC(=O)NC(C)C 62a_100011216630_100000183996 [0,2,0,0,0,0|2,0,0]=4 14520 B13R0.332 CCCC(C)CSCC(=O)OC(C)C 62a_100011215430_100011216630 [0,2,0,0,0,0|1,0,0]=3 14521 B13R0.332 CCCC(C)CSCC(=O)OC(C)C 62a_100011216630_100011215430 [0,2,0,0,0,0|1,0,0]=3 14522 B13R0.332 CCCC(C)NCCC(=O)NC(C)C 2230a_100000741246_100000737564 [0,2,0,0,0,0|2,0,0]=4 14523 B13R0.332 CCCC(C)NCCC(=O)OC(C)C 2230a_100000741246_100000760027 [0,2,0,0,0,0|1,0,0]=3 14524 B13R0.332 CCCC(C)OCCC(=O)NC(C)C 7a_100000764384_100000737564 [0,2,0,0,0,0|2,0,0]=4 14525 B13R0.332 CCCC(C)OCCC(=O)OC(C)C 7a_100000764384_100000760027 [0,2,0,0,0,0|1,0,0]=3 14526 B13R0.332 CCCC(C)SCCC(=O)NC(C)C 62a_100000737564_100000766640 [0,2,0,0,0,0|2,0,0]=4 14527 B13R0.332 CCCC(C)SCCC(=O)NC(C)C 62a_100000766640_100000737564 [0,2,0,0,0,0|2,0,0]=4 14528 B13R0.332 CCCC(C)SCCC(=O)OC(C)C 62a_100000760027_100000766640 [0,2,0,0,0,0|1,0,0]=3 14529 B13R0.332 CCCC(C)SCCC(=O)OC(C)C 62a_100000766640_100000760027 [0,2,0,0,0,0|1,0,0]=3 14530 B13R0.332 CCCC(C)SCOC(=O)OC(C)C 62a_100000003507_100000766640 [0,2,0,0,0,0|2,0,0]=4 14531 B13R0.332 CCCC(C)SCOC(=O)OC(C)C 62a_100000766640_100000003507 [0,2,0,0,0,0|2,0,0]=4 14532 B13R0.332 CCC[C@H](N)COCC(=O)NC(C)C 34a_100000732646_100000183996 [0,2,0,0,0,0|2,0,0]=4 14533 B13R0.332 CCC[C@H](N)COCC(=O)OC(C)C 34a_100000732646_100011215430 [0,2,0,0,0,0|1,0,0]=3 14534 B13R0.332 CCNC(=O)CCCC(=O)CC(C)C 1458a_100000199580_100000210624 [0,2,0,0,0,0|1,0,1]=4 14535 B13R0.332 CCNC(=O)CCCC(=O)CC(C)O 1458a_100000199580_100011218427 [0,2,0,0,0,0|1,0,1]=4 14536 B13R0.332 CCNC(=O)CCNC(C)CC(C)C 2230a_100000692259_100000737597 [0,2,0,0,0,0|2,0,0]=4 14537 B13R0.332 CCNC(=O)CCNC(C)CC(C)C 34a_100025743525_100000731052 [0,2,0,0,0,0|2,0,0]=4 14538 B13R0.332 CCNC(=O)CCOC(C)CC(C)C 7a_100000211805_100000737597 [0,2,0,0,0,0|2,0,0]=4 14539 B13R0.332 CCNC(=O)CCSC(C)CC(C)C 62a_100000731052_100000737597 [0,2,0,0,0,0|2,0,0]=4 14540 B13R0.332 CCNC(=O)CCSC(C)CC(C)C 62a_100000737597_100000731052 [0,2,0,0,0,0|2,0,0]=4 14541 B13R0.332 CCNC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000183381 [0,2,0,0,0,0|2,0,0]=4 14542 B13R0.332 CCOC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215271 [0,2,0,0,0,0|0,0,1]=3 14543 B13R0.332 CCOC(=O)CCCC(=O)CC(C)C 1458a_100000210991_100000210624 [0,2,0,0,0,0|0,0,1]=3 14544 B13R0.332 CCOC(=O)CCCC(=O)CC(C)O 1458a_100000210991_100011218427 [0,2,0,0,0,0|0,0,1]=3 14545 B13R0.332 CCOC(=O)CCCC(=O)CC(F)F 1458a_100000210991_100011934356 [0,2,0,0,0,0|1,0,1]=4 14546 B13R0.332 CCOC(=O)CCCC(=O)CN(C)C 1458a_100000750896_100011215271 [0,2,0,0,0,0|1,0,1]=4 14547 B13R0.332 CCOC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215271 [0,2,0,0,0,0|0,0,1]=3 14548 B13R0.332 CCOC(=O)CCCC(=O)C[S+](C)C 1458a_200159257847_100011215271 [0,2,0,0,0,0|1,0,1]=4 14549 B13R0.332 CCOC(=O)CCCC(=O)NC(C)C 11a_100138425928_100000210991 [0,2,0,0,0,0|1,0,1]=4 14550 B13R0.332 CCOC(=O)CCCC(=O)NC(C)C 1626a_100138425928_100000210991 [0,2,0,0,0,0|1,0,1]=4 14551 B13R0.332 CCOC(=O)CCCC(=O)NC(C)C 240690a_100138425928_100000210991 [0,2,0,0,0,0|1,0,1]=4 14552 B13R0.332 CCOC(=O)CCCC(=O)NC(C)C 527a_100138425928_100000210991 [0,2,0,0,0,0|1,0,1]=4 14553 B13R0.332 CCOC(=O)CCCN(C)CC(C)C 2230a_100000747067_100009991533 [0,2,0,0,0,0|1,0,0]=3 14554 B13R0.332 CCOC(=O)CCCN(C)CC(C)C 269982a_100000747067_100009991533 [0,2,0,0,0,0|1,0,0]=3 14555 B13R0.332 CCOC(=O)CCCN(C)CC(C)O 2230a_100000227577_100009991533 [0,2,0,0,0,0|1,0,0]=3 14556 B13R0.332 CCOC(=O)CCCN(C)CC(C)O 269982a_100000227577_100009991533 [0,2,0,0,0,0|1,0,0]=3 14557 B13R0.332 CCOC(=O)CCNC(=O)CC(C)C 188690a_100000746078_100000210554 [0,2,0,0,0,0|1,0,1]=4 14558 B13R0.332 CCOC(=O)CCNC(=O)C[C@@H](C)O 188690a_100000746078_100011933948 [0,2,0,0,0,0|1,0,1]=4 14559 B13R0.332 CCOC(=O)CCNC(C)CC(C)C 2230a_100000692259_100011206558 [0,2,0,0,0,0|1,0,0]=3 14560 B13R0.332 CCOC(=O)CCOC(C)CC(C)C 34a_100000211805_100000765890 [0,2,0,0,0,0|1,0,0]=3 14561 B13R0.332 CCOC(=O)CCOC(C)CC(C)C 7a_100000211805_100011206558 [0,2,0,0,0,0|1,0,0]=3 14562 B13R0.332 CCOC(=O)CCSC(C)CC(C)C 62a_100000731052_100000765890 [0,2,0,0,0,0|1,0,0]=3 14563 B13R0.332 CCOC(=O)CCSC(C)CC(C)C 62a_100000765890_100000731052 [0,2,0,0,0,0|1,0,0]=3 14564 B13R0.332 CCOC(=O)CCSC(C)CN(C)C 62a_100000765890_100020606517 [0,2,0,0,0,0|2,0,0]=4 14565 B13R0.332 CCOC(=O)CCSC(C)CN(C)C 62a_100020606517_100000765890 [0,2,0,0,0,0|2,0,0]=4 14566 B13R0.332 CCOC(=O)COC[C@@H](N)CC(C)C 34a_100011830311_100000188475 [0,2,0,0,0,0|1,0,0]=3 14567 B13R0.332 CCOC(=O)CSCC(C)CN(C)C 62a_100000188475_100015348159 [0,2,0,0,0,0|2,0,0]=4 14568 B13R0.332 CCOC(=O)CSCC(C)CN(C)C 62a_100015348159_100000188475 [0,2,0,0,0,0|2,0,0]=4 14569 B13R0.332 CCOC(=O)NCCC(=O)CC(C)C 1458a_100000210554_200011445536 [0,2,0,0,0,0|1,0,1]=4 14570 B13R0.332 CCOC(=O)NCCC(=O)C[C@@H](C)O 1458a_100011933948_200011445536 [0,2,0,0,0,0|1,0,1]=4 14571 B13R0.332 CCOC(=O)NCCN(C)CC(C)C 269982a_100000747067_200011445536 [0,2,0,0,0,0|2,0,0]=4 14572 B13R0.332 CCOC(=O)NCCN(C)CC(C)O 269982a_100000227577_200011445536 [0,2,0,0,0,0|2,0,0]=4 14573 B13R0.332 CCOC(=O)OCSC(C)CC(C)C 62a_100000731052_100000075025 [0,2,0,0,0,0|2,0,0]=4 14574 B13R0.332 COCC(C)SCCC(=O)OC(C)C 62a_100000760027_100000765312 [0,2,0,0,0,0|2,0,0]=4 14575 B13R0.332 COCC(C)SCCC(=O)OC(C)C 62a_100000765312_100000760027 [0,2,0,0,0,0|2,0,0]=4 14576 B13R0.332 COCC(N)COCC(=O)OC(C)C 34a_100000724102_100011215430 [0,2,0,0,0,0|2,0,0]=4 14577 B13R0.332 COCC(O)CNCC(=O)OC(C)C 2230a_100000756049_100011215430 [0,2,0,0,0,0|2,0,0]=4 14578 B13R0.332 COCC(O)CNCC(=O)OC(C)C 34a_100000756049_100011215430 [0,2,0,0,0,0|2,0,0]=4 14579 B13R0.332 COCC(O)CSCC(=O)OC(C)C 62a_100011215053_100011215430 [0,2,0,0,0,0|2,0,0]=4 14580 B13R0.332 COCC(O)CSCC(=O)OC(C)C 62a_100011215430_100011215053 [0,2,0,0,0,0|2,0,0]=4 14581 B13R0.332 COC[C@@H](C)NCCC(=O)OC(C)C 2230a_100000764878_100000760027 [0,2,0,0,0,0|2,0,0]=4 14582 B13R0.333 CC(C)OC(=O)CC(=O)CCCCO 1458a_100000695505_100011215430 [0,2,0,0,0,0|1,0,1]=4 14583 B13R0.333 CC(C)OC(=O)CN(C)CCCCO 2230a_100000717598_100011215430 [0,2,0,0,0,0|2,0,0]=4 14584 B13R0.333 CC(C)OC(=O)CN(C)CCCCO 269982a_100000717598_100011215430 [0,2,0,0,0,0|2,0,0]=4 14585 B13R0.333 CCCCCC(=O)CC(=O)CC(C)C 1458a_100000210554_200012276598 [0,2,0,0,0,0|1,0,1]=4 14586 B13R0.333 CCCCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200012276598 [0,2,0,0,0,0|1,0,1]=4 14587 B13R0.333 CCCCCC(=O)CC(=O)NC(C)C 1458a_100000212188_100000183996 [0,2,0,0,0,0|1,0,1]=4 14588 B13R0.333 CCCCCC(=O)CC(=O)OC(C)C 1458a_100000212188_100011215430 [0,2,0,0,0,0|0,0,1]=3 14589 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 11a_100000211957_100000210554 [0,2,0,0,0,0|2,0,0]=4 14590 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 1626a_100000211957_100000210554 [0,2,0,0,0,0|2,0,0]=4 14591 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 240690a_100000211957_100000210554 [0,2,0,0,0,0|2,0,0]=4 14592 B13R0.333 CCCCCC(C)NC(=O)CC(C)C 527a_100000211957_100000210554 [0,2,0,0,0,0|2,0,0]=4 14593 B13R0.333 CCCCCC(C)NC(=O)C[C@@H](C)O 240690a_100000211957_100011933948 [0,2,0,0,0,0|2,0,0]=4 14594 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 2708a_100000211957_100138425928 [0,2,0,0,0,0|2,0,0]=4 14595 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000211957 [0,2,0,0,0,0|2,0,0]=4 14596 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 273464a_100138425928_100000211957 [0,2,0,0,0,0|2,0,0]=4 14597 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 512a_100000211957_100138425928 [0,2,0,0,0,0|2,0,0]=4 14598 B13R0.333 CCCCCC(C)NC(=O)NC(C)C 512a_100138425928_100000211957 [0,2,0,0,0,0|2,0,0]=4 14599 B13R0.333 CCCCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210326 [0,2,0,0,0,0|2,0,0]=4 14600 B13R0.333 CCCCCN(C)CC(=O)NC(C)C 2230a_100000223495_100000183996 [0,2,0,0,0,0|2,0,0]=4 14601 B13R0.333 CCCCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210215 [0,2,0,0,0,0|2,0,0]=4 14602 B13R0.333 CCCCCN(C)CC(=O)NC(C)C 269982a_100000223495_100000183996 [0,2,0,0,0,0|2,0,0]=4 14603 B13R0.333 CCCCCN(C)CC(=O)OC(C)C 2230a_100000223495_100011215430 [0,2,0,0,0,0|1,0,0]=3 14604 B13R0.333 CCCCCN(C)CC(=O)OC(C)C 269982a_100000223495_100011215430 [0,2,0,0,0,0|1,0,0]=3 14605 B13R0.333 CCCCNC(C)OC(=O)OC(C)C 7a_106832991798_100000067433 [0,2,0,0,0,0|2,0,0]=4 14606 B13R0.333 CCCCOC(C)OC(=O)OC(C)C 7a_100000210227_100000067433 [0,2,0,0,0,0|2,0,0]=4 14607 B13R0.333 CCCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210210 [0,2,0,0,0,0|2,0,0]=4 14608 B13R0.333 CCCCSC(C)OC(=O)OC(C)C 62a_100000210211_100000067433 [0,2,0,0,0,0|2,0,0]=4 14609 B13R0.333 CCCOCC(=O)CC(=O)OC(C)C 1458a_100000745993_100011215430 [0,2,0,0,0,0|1,0,1]=4 14610 B13R0.333 CCCSCC(=O)CC(=O)OC(C)C 1458a_100000217233_100011215430 [0,2,0,0,0,0|1,0,1]=4 14611 B13R0.333 CCOCCC(=O)CC(=O)OC(C)C 1458a_100000749530_100011215430 [0,2,0,0,0,0|1,0,1]=4 14612 B13R0.333 CCSCCC(=O)CC(=O)OC(C)C 1458a_100000230768_100011215430 [0,2,0,0,0,0|1,0,1]=4 14613 B13R0.333 COCCCC(=O)CC(=O)OC(C)C 1458a_100000741012_100011215430 [0,2,0,0,0,0|1,0,1]=4 14614 B13R0.333 COCCCN(C)CC(=O)OC(C)C 2230a_100000224831_100011215430 [0,2,0,0,0,0|2,0,0]=4 14615 B13R0.333 COCCCN(C)CC(=O)OC(C)C 269982a_100000224831_100011215430 [0,2,0,0,0,0|2,0,0]=4 14616 B13R0.333 CSCCCC(=O)CC(=O)OC(C)C 1458a_100000173376_100011215430 [0,2,0,0,0,0|1,0,1]=4 14617 B13R0.337 CC(C)C(C)C(=O)CCCCCCF 1458a_100000755409_100015922095 [0,2,0,0,0,0|2,0,0]=4 14618 B13R0.337 CC(C)C(C)C(=O)CCCCCCO 1458a_100000755409_100000766143 [0,2,0,0,0,0|2,0,0]=4 14619 B13R0.337 CC(C)N(C)C(=O)CCCCCCO 240690a_200000211004_100011996774 [0,2,0,0,0,0|2,0,0]=4 14620 B13R0.337 CC(C)[C@@H](O)C(=O)CCCCCCF 1458a_100000691806_100015922095 [0,2,0,0,0,0|2,0,0]=4 14621 B13R0.337 CC(C)[C@@H](O)C(=O)CCCCCCO 1458a_100000691806_100000766143 [0,2,0,0,0,0|2,0,0]=4 14622 B13R0.337 CCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210614 [0,2,0,0,0,0|2,0,0]=4 14623 B13R0.337 CCCCCCCC(=O)C(C)C(=O)C 1458a_100000211969_100000179758 [0,2,0,0,0,0|1,0,1]=4 14624 B13R0.337 CCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210614 [0,2,0,0,0,0|1,0,0]=3 14625 B13R0.337 CCCCCCCC(=O)N(C)C(C)C 11a_200000211004_100000211969 [0,2,0,0,0,0|1,0,0]=3 14626 B13R0.337 CCCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000211969 [0,2,0,0,0,0|1,0,0]=3 14627 B13R0.337 CCCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000211969 [0,2,0,0,0,0|1,0,0]=3 14628 B13R0.337 CCCCCCCC(=O)N(C)C(C)C 527a_200000211004_100000211969 [0,2,0,0,0,0|1,0,0]=3 14629 B13R0.337 CCCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210614 [0,2,0,0,0,0|2,0,0]=4 14630 B13R0.337 CCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210614 [0,2,0,0,0,0|1,0,0]=3 14631 B13R0.337 CCCCCCNC(=O)C(C)C(C)C 11a_100000210581_100000755409 [0,2,0,0,0,0|2,0,0]=4 14632 B13R0.337 CCCCCCNC(=O)C(C)C(C)C 1626a_100000210581_100000755409 [0,2,0,0,0,0|2,0,0]=4 14633 B13R0.337 CCCCCCNC(=O)C(C)C(C)C 240690a_100000210581_100000755409 [0,2,0,0,0,0|2,0,0]=4 14634 B13R0.337 CCCCCCNC(=O)C(C)C(C)C 527a_100000210581_100000755409 [0,2,0,0,0,0|2,0,0]=4 14635 B13R0.337 CCCCCCNC(=O)N(C)C(C)C 2708a_100000210581_200000211004 [0,2,0,0,0,0|2,0,0]=4 14636 B13R0.337 CCCCCCNC(=O)N(C)C(C)C 273464a_100000210581_200000211004 [0,2,0,0,0,0|2,0,0]=4 14637 B13R0.337 CCCCCCNC(=O)[C@H](O)C(C)C 240690a_100000210581_100000691806 [0,2,0,0,0,0|2,0,0]=4 14638 B13R0.337 CCCCCNCC(=O)N(C)C(C)C 2230a_100000209983_100000230190 [0,2,0,0,0,0|2,0,0]=4 14639 B13R0.337 CCCCCOCC(=O)N(C)C(C)C 34a_100000210253_100000230190 [0,2,0,0,0,0|2,0,0]=4 14640 B13R0.337 CCCCCOCC(=O)N(C)C(C)C 7a_100000210253_100000230190 [0,2,0,0,0,0|2,0,0]=4 14641 B13R0.337 CCCCCSCC(=O)N(C)C(C)C 62a_100000210326_100000230190 [0,2,0,0,0,0|2,0,0]=4 14642 B13R0.337 CCCCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210326 [0,2,0,0,0,0|2,0,0]=4 14643 B13R0.337 CCCCOCCC(=O)C(C)C(C)C 1458a_100000755409_100000743108 [0,2,0,0,0,0|2,0,0]=4 14644 B13R0.337 CCCCOCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000743108 [0,2,0,0,0,0|2,0,0]=4 14645 B13R0.337 COCCCCCC(=O)N(C)C(C)C 11a_200000211004_100011935119 [0,2,0,0,0,0|2,0,0]=4 14646 B13R0.337 COCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100011935119 [0,2,0,0,0,0|2,0,0]=4 14647 B13R0.337 COCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100011935119 [0,2,0,0,0,0|2,0,0]=4 14648 B13R0.337 COCCCCCC(=O)N(C)C(C)C 527a_200000211004_100011935119 [0,2,0,0,0,0|2,0,0]=4 14649 B13R0.438 C=C(C)CC(=O)C(O)CCCCCC 1458a_100011215828_100000748629 [0,2,0,0,0,0|1,0,1]=4 14650 B13R0.438 CC(C)OC(=O)[C@@H](C)OCCCCF 34a_100015307928_100000729493 [0,2,0,0,0,0|2,0,0]=4 14651 B13R0.438 CC(C)OC(=O)[C@@H](C)OCCCCF 7a_100015307928_100000729493 [0,2,0,0,0,0|2,0,0]=4 14652 B13R0.438 CC(C)OC(=O)[C@@H](C)OCCCCO 34a_100015307928_100011216708 [0,2,0,0,0,0|2,0,0]=4 14653 B13R0.438 CC(C)OC(=O)[C@@H](C)OCCCCO 7a_100015307928_100000210776 [0,2,0,0,0,0|2,0,0]=4 14654 B13R0.438 CC(C)OC(=O)[C@@H](N)COCCCF 34a_100121572844_100011934791 [0,2,0,0,0,0|2,0,0]=4 14655 B13R0.438 CC(C)OC(=O)[C@@H](N)COCCCO 34a_100121572844_100000230001 [0,2,0,0,0,0|2,0,0]=4 14656 B13R0.438 CCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210757 [0,2,0,0,0,0|1,0,1]=4 14657 B13R0.438 CCCCCCC(C)C(=O)C=C(C)C 1458a_100000211388_100011215978 [0,2,0,0,0,0|1,0,1]=4 14658 B13R0.438 CCCCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100011215978 [0,2,0,0,0,0|1,0,1]=4 14659 B13R0.438 CCCCCCC(C)C(=O)C=C(C)I 1458a_100025716642_100011215978 [0,2,0,0,0,0|1,0,1]=4 14660 B13R0.438 CCCCCCC(C)C(=O)CC(C)C 1458a_100000210554_100011215978 [0,2,0,0,0,0|1,0,0]=3 14661 B13R0.438 CCCCCCC(C)C(=O)CN(C)C 1458a_100000750896_100011215978 [0,2,0,0,0,0|2,0,0]=4 14662 B13R0.438 CCCCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011215978 [0,2,0,0,0,0|1,0,0]=3 14663 B13R0.438 CCCCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100011215978 [0,2,0,0,0,0|2,0,0]=4 14664 B13R0.438 CCCCCCC(O)C(=O)CC(C)C 1458a_100011215828_100000210624 [0,2,0,0,0,0|1,0,0]=3 14665 B13R0.438 CCCCCCC(O)C(=O)CC(C)O 1458a_100011215828_100011218427 [0,2,0,0,0,0|1,0,0]=3 14666 B13R0.438 CCCCCCC(O)C(=O)CC(F)F 1458a_100011215828_100011934356 [0,2,0,0,0,0|2,0,0]=4 14667 B13R0.438 CCCCCCC(O)C(=O)NC(C)C 240690a_100138425928_100011215828 [0,2,0,0,0,0|1,0,0]=3 14668 B13R0.438 CCCCCCN(C)C(=O)CC(C)C 11a_106256046315_100000210554 [0,2,0,0,0,0|2,0,0]=4 14669 B13R0.438 CCCCCCN(C)C(=O)CC(C)C 1626a_106256046315_100000210554 [0,2,0,0,0,0|2,0,0]=4 14670 B13R0.438 CCCCCCN(C)C(=O)CC(C)C 240690a_106256046315_100000210554 [0,2,0,0,0,0|2,0,0]=4 14671 B13R0.438 CCCCCCN(C)C(=O)CC(C)C 527a_106256046315_100000210554 [0,2,0,0,0,0|2,0,0]=4 14672 B13R0.438 CCCCCCN(C)C(=O)C[C@@H](C)O 240690a_106256046315_100011933948 [0,2,0,0,0,0|2,0,0]=4 14673 B13R0.438 CCCCCCN(C)C(=O)NC(C)C 2708a_100138425928_106256046315 [0,2,0,0,0,0|2,0,0]=4 14674 B13R0.438 CCCCCCN(C)C(=O)NC(C)C 273464a_100138425928_106256046315 [0,2,0,0,0,0|2,0,0]=4 14675 B13R0.438 CCCCCNC(C)C(=O)NC(C)C 2230a_100000209983_100000195394 [0,2,0,0,0,0|2,0,0]=4 14676 B13R0.438 CCCCCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210326 [0,2,0,0,0,0|2,0,0]=4 14677 B13R0.438 CCCCCNC(C)C(=O)NC(C)C 34a_100015205314_100000718602 [0,2,0,0,0,0|2,0,0]=4 14678 B13R0.438 CCCCCOC(C)C(=O)NC(C)C 34a_100000210253_100000195394 [0,2,0,0,0,0|2,0,0]=4 14679 B13R0.438 CCCCCOC(C)C(=O)NC(C)C 7a_100000210253_100000195394 [0,2,0,0,0,0|2,0,0]=4 14680 B13R0.438 CCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000718602 [0,2,0,0,0,0|1,0,0]=3 14681 B13R0.438 CCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210326 [0,2,0,0,0,0|1,0,0]=3 14682 B13R0.438 CCCCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210326 [0,2,0,0,0,0|2,0,0]=4 14683 B13R0.438 CCCCCSC(C)C(=O)NC(C)C 62a_100000210326_100000195394 [0,2,0,0,0,0|2,0,0]=4 14684 B13R0.438 CCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210210 [0,2,0,0,0,0|1,0,0]=3 14685 B13R0.438 CCOCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210147 [0,2,0,0,0,0|2,0,0]=4 14686 B13R0.438 CCOCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100011215890 [0,2,0,0,0,0|2,0,0]=4 14687 B13R0.438 CCSCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000757381 [0,2,0,0,0,0|2,0,0]=4 14688 B13R0.438 CCSCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000757381 [0,2,0,0,0,0|2,0,0]=4 14689 B13R0.438 COCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000740836 [0,2,0,0,0,0|2,0,0]=4 14690 B13R0.438 COCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000740836 [0,2,0,0,0,0|2,0,0]=4 14691 B13R0.438 COCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100011201679 [0,2,0,0,0,0|2,0,0]=4 14692 B13R0.438 CSCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000212216 [0,2,0,0,0,0|2,0,0]=4 14693 B13R0.712 CCCCCCCC(C)(C)OC(C)C 34a_100000212225_200000046972 [0,2,0,0,0,0|1,0,1]=4 14694 B13R0.101 C/C=C(\C)/C(=O)CCCCCC(C)C 1458a_100020587367_100000210682 [0,2,0,0,0,0|1,0,1]=4 14695 B13R0.101 CC(C)CCCCCC(=O)C(O)CO 1458a_100011215603_100000210682 [0,2,0,0,0,0|2,0,0]=4 14696 B13R0.101 CCC(C)C(=O)CCCCCC(C)C 1458a_100000766313_100000758301 [0,2,0,0,0,0|1,0,0]=3 14697 B13R0.101 CCC(C)C(=O)CCCCCC(C)C 1458a_100011192722_100000210682 [0,2,0,0,0,0|1,0,0]=3 14698 B13R0.101 CCC(O)C(=O)CCCCCC(C)C 1458a_100011196387_100000210682 [0,2,0,0,0,0|1,0,0]=3 14699 B13R0.101 CCN(C)C(=O)CCCCCC(C)C 11a_100000225621_100000766313 [0,2,0,0,0,0|1,0,0]=3 14700 B13R0.101 CCN(C)C(=O)CCCCCC(C)C 1626a_100000225621_100000766313 [0,2,0,0,0,0|1,0,0]=3 14701 B13R0.101 CCN(C)C(=O)CCCCCC(C)C 240690a_100000225621_100000766313 [0,2,0,0,0,0|1,0,0]=3 14702 B13R0.101 CCN(C)C(=O)CCCCCC(C)C 527a_100000225621_100000766313 [0,2,0,0,0,0|1,0,0]=3 14703 B13R0.101 CCN(C)C(=O)CNCCCC(C)C 2230a_200000737386_100000738999 [0,2,0,0,0,0|2,0,0]=4 14704 B13R0.101 CCN(C)C(=O)CNCCCC(C)C 34a_200000737386_100000738999 [0,2,0,0,0,0|2,0,0]=4 14705 B13R0.101 CCN(C)C(=O)COCCCC(C)C 34a_100000210774_100000738999 [0,2,0,0,0,0|2,0,0]=4 14706 B13R0.101 CCN(C)C(=O)COCCCC(C)C 7a_100000210774_100000738999 [0,2,0,0,0,0|2,0,0]=4 14707 B13R0.101 CCN(C)C(=O)CSCCCC(C)C 62a_100000738999_100011214892 [0,2,0,0,0,0|2,0,0]=4 14708 B13R0.101 CCN(C)C(=O)CSCCCC(C)C 62a_100011214892_100000738999 [0,2,0,0,0,0|2,0,0]=4 14709 B13R0.101 CCN(C)C(=O)CSCCCC(C)O 62a_100000738999_200000718107 [0,2,0,0,0,0|2,0,0]=4 14710 B13R0.101 CCN(C)C(=O)CSCCCC(C)O 62a_200000718107_100000738999 [0,2,0,0,0,0|2,0,0]=4 14711 B13R0.101 CNC(=O)C(=O)CCCCCC(C)C 1458a_100011218921_100000210682 [0,2,0,0,0,0|2,0,0]=4 14712 B13R0.101 COC(C)C(=O)CCCCCC(C)C 1458a_100000743197_100000210682 [0,2,0,0,0,0|2,0,0]=4 14713 B13R0.101 CSC(C)C(=O)CCCCCC(C)C 1458a_100000149566_100000210682 [0,2,0,0,0,0|2,0,0]=4 14714 B13R0.112 CCC(C)(C)C(=O)CCCCCCF 1458a_100000749717_100015922095 [0,2,0,0,0,0|2,0,0]=4 14715 B13R0.112 CCC(C)(C)C(=O)CCCCCCO 1458a_100000749717_100000766143 [0,2,0,0,0,0|2,0,0]=4 14716 B13R0.112 CCC(C)(O)C(=O)CCCCCCF 1458a_100011219770_100015922095 [0,2,0,0,0,0|2,0,0]=4 14717 B13R0.112 CCC(C)(O)C(=O)CCCCCCO 1458a_100011219770_100000766143 [0,2,0,0,0,0|2,0,0]=4 14718 B13R0.112 CCC(F)(F)C(=O)CCCCCCF 1458a_100000061896_100015922095 [0,2,0,0,0,0|2,0,0]=4 14719 B13R0.112 CCC(F)(F)C(=O)CCCCCCO 1458a_100000061896_100000766143 [0,2,0,0,0,0|2,0,0]=4 14720 B13R0.112 CCCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210614 [0,2,0,0,0,0|1,0,0]=3 14721 B13R0.112 CCCCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210614 [0,2,0,0,0,0|2,0,0]=4 14722 B13R0.112 CCCCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210614 [0,2,0,0,0,0|2,0,0]=4 14723 B13R0.112 CCCCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210614 [0,2,0,0,0,0|2,0,0]=4 14724 B13R0.112 CCCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210614 [0,2,0,0,0,0|1,0,0]=3 14725 B13R0.112 CCCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210614 [0,2,0,0,0,0|1,0,0]=3 14726 B13R0.112 CCCCCCNC(=O)C(C)(C)CC 11a_100000210581_100000749717 [0,2,0,0,0,0|2,0,0]=4 14727 B13R0.112 CCCCCCNC(=O)C(C)(C)CC 1626a_100000210581_100000749717 [0,2,0,0,0,0|2,0,0]=4 14728 B13R0.112 CCCCCCNC(=O)C(C)(C)CC 240690a_100000210581_100000749717 [0,2,0,0,0,0|2,0,0]=4 14729 B13R0.112 CCCCCCNC(=O)C(C)(C)CC 527a_100000210581_100000749717 [0,2,0,0,0,0|2,0,0]=4 14730 B13R0.112 CCCCCCNC(=O)C(C)(O)CC 240690a_100000210581_100011219770 [0,2,0,0,0,0|2,0,0]=4 14731 B13R0.112 CCCCCCNC(=O)C(F)(F)CC 11a_100000210581_100000061896 [0,2,0,0,0,0|2,0,0]=4 14732 B13R0.112 CCCCCCNC(=O)C(F)(F)CC 1626a_100000210581_100000061896 [0,2,0,0,0,0|2,0,0]=4 14733 B13R0.112 CCCCCCNC(=O)C(F)(F)CC 240690a_100000210581_100000061896 [0,2,0,0,0,0|2,0,0]=4 14734 B13R0.112 CCCCCCNC(=O)C(F)(F)CC 527a_100000210581_100000061896 [0,2,0,0,0,0|2,0,0]=4 14735 B13R0.112 CCCCOCCC(=O)C(C)(C)CC 1458a_100000749717_100000743108 [0,2,0,0,0,0|2,0,0]=4 14736 B13R0.112 CCCCOCCC(=O)C(C)(O)CC 1458a_100011219770_100000743108 [0,2,0,0,0,0|2,0,0]=4 14737 B13R0.112 CCCCOCCC(=O)C(F)(F)CC 1458a_100000061896_100000743108 [0,2,0,0,0,0|2,0,0]=4 14738 B13R0.131 CCCCC(C)CCC(=O)C(C)CC 1458a_100000033779_100000758301 [0,2,0,0,0,0|1,0,0]=3 14739 B13R0.131 CCCCC(C)CCC(=O)N(C)CC 11a_100000225621_100000033779 [0,2,0,0,0,0|1,0,0]=3 14740 B13R0.131 CCCCC(C)CCC(=O)N(C)CC 1626a_100000225621_100000033779 [0,2,0,0,0,0|1,0,0]=3 14741 B13R0.131 CCCCC(C)CCC(=O)N(C)CC 240690a_100000225621_100000033779 [0,2,0,0,0,0|1,0,0]=3 14742 B13R0.131 CCCCC(C)CCC(=O)N(C)CC 527a_100000225621_100000033779 [0,2,0,0,0,0|1,0,0]=3 14743 B13R0.131 CCCCC(C)NCC(=O)N(C)CC 2230a_100000126638_100000738999 [0,2,0,0,0,0|2,0,0]=4 14744 B13R0.131 CCCCC(C)OCC(=O)N(C)CC 34a_100000687866_100000738999 [0,2,0,0,0,0|2,0,0]=4 14745 B13R0.131 CCCCC(C)OCC(=O)N(C)CC 7a_100000687866_100000738999 [0,2,0,0,0,0|2,0,0]=4 14746 B13R0.131 CCCCC(C)SCC(=O)N(C)CC 62a_100000738999_200011215066 [0,2,0,0,0,0|2,0,0]=4 14747 B13R0.131 CCCCC(C)SCC(=O)N(C)CC 62a_200011215066_100000738999 [0,2,0,0,0,0|2,0,0]=4 14748 B13R0.250 CCC(C)CCNCC(=O)N(C)CC 2230a_100020591266_100000738999 [0,2,0,0,0,0|2,0,0]=4 14749 B13R0.250 CCC(C)CCOCC(=O)N(C)CC 7a_100011215188_100000738999 [0,2,0,0,0,0|2,0,0]=4 14750 B13R0.277 CCC(CC)C(=O)CCCCCCF 1458a_100000211163_100015922095 [0,2,0,0,0,0|2,0,0]=4 14751 B13R0.277 CCC(CC)C(=O)CCCCCCO 1458a_100000211163_100000766143 [0,2,0,0,0,0|2,0,0]=4 14752 B13R0.277 CCC(CC)C(=O)CCCCCCO 1458a_100011996774_100000210505 [0,2,0,0,0,0|2,0,0]=4 14753 B13R0.277 CCC(CC)C(=O)CCCCCOC 1458a_100011935119_100000210505 [0,2,0,0,0,0|2,0,0]=4 14754 B13R0.277 CCC(OC)C(=O)CCCCCCF 1458a_100000747056_100015922095 [0,2,0,0,0,0|2,0,0]=4 14755 B13R0.277 CCC(OC)C(=O)CCCCCCO 1458a_100000747056_100000766143 [0,2,0,0,0,0|2,0,0]=4 14756 B13R0.277 CCCCCCCC(=O)C(CC)CC 1458a_100000211163_100000210614 [0,2,0,0,0,0|1,0,0]=3 14757 B13R0.277 CCCCCCCC(=O)C(CC)CC 1458a_100000211969_100000210505 [0,2,0,0,0,0|1,0,0]=3 14758 B13R0.277 CCCCCCCC(=O)C(CC)OC 1458a_100000747056_100000210614 [0,2,0,0,0,0|1,0,0]=3 14759 B13R0.277 CCCCCCCC(=O)C(OC)OC 1458a_100000046285_100000210614 [0,2,0,0,0,0|2,0,0]=4 14760 B13R0.277 CCCCCCCC(=O)N(CC)CC 11a_100000724800_100000211969 [0,2,0,0,0,0|1,0,0]=3 14761 B13R0.277 CCCCCCCC(=O)N(CC)CC 1626a_100000724800_100000211969 [0,2,0,0,0,0|1,0,0]=3 14762 B13R0.277 CCCCCCCC(=O)N(CC)CC 240690a_100000724800_100000211969 [0,2,0,0,0,0|1,0,0]=3 14763 B13R0.277 CCCCCCCC(=O)N(CC)CC 527a_100000724800_100000211969 [0,2,0,0,0,0|1,0,0]=3 14764 B13R0.277 CCCCCCNC(=O)C(CC)CC 11a_100000210581_100000211163 [0,2,0,0,0,0|2,0,0]=4 14765 B13R0.277 CCCCCCNC(=O)C(CC)CC 1626a_100000210581_100000211163 [0,2,0,0,0,0|2,0,0]=4 14766 B13R0.277 CCCCCCNC(=O)C(CC)CC 240690a_100000210581_100000211163 [0,2,0,0,0,0|2,0,0]=4 14767 B13R0.277 CCCCCCNC(=O)C(CC)CC 527a_100000210581_100000211163 [0,2,0,0,0,0|2,0,0]=4 14768 B13R0.277 CCCCCCNC(=O)C(CC)OC 11a_100000210581_100000747056 [0,2,0,0,0,0|2,0,0]=4 14769 B13R0.277 CCCCCCNC(=O)C(CC)OC 1626a_100000210581_100000747056 [0,2,0,0,0,0|2,0,0]=4 14770 B13R0.277 CCCCCCNC(=O)C(CC)OC 240690a_100000210581_100000747056 [0,2,0,0,0,0|2,0,0]=4 14771 B13R0.277 CCCCCCNC(=O)C(CC)OC 527a_100000210581_100000747056 [0,2,0,0,0,0|2,0,0]=4 14772 B13R0.277 CCCCCCNC(=O)N(CC)CC 2708a_100000210581_100000724800 [0,2,0,0,0,0|2,0,0]=4 14773 B13R0.277 CCCCCCNC(=O)N(CC)CC 273464a_100000210581_100000724800 [0,2,0,0,0,0|2,0,0]=4 14774 B13R0.277 CCCCCNCC(=O)N(CC)CC 2230a_100000174916_100000210326 [0,2,0,0,0,0|2,0,0]=4 14775 B13R0.277 CCCCCNCC(=O)N(CC)CC 2230a_100000209983_100000211521 [0,2,0,0,0,0|2,0,0]=4 14776 B13R0.277 CCCCCOCC(=O)N(CC)CC 34a_100000210253_100000211521 [0,2,0,0,0,0|2,0,0]=4 14777 B13R0.277 CCCCCOCC(=O)N(CC)CC 7a_100000210253_100000211521 [0,2,0,0,0,0|2,0,0]=4 14778 B13R0.277 CCCCCOCC(=O)N(CC)CC 7a_200000238847_100000210326 [0,2,0,0,0,0|2,0,0]=4 14779 B13R0.277 CCCCCSCC(=O)N(CC)CC 62a_100000210326_100000211521 [0,2,0,0,0,0|2,0,0]=4 14780 B13R0.277 CCCCCSCC(=O)N(CC)CC 62a_100000211521_100000210326 [0,2,0,0,0,0|2,0,0]=4 14781 B13R0.277 CCCCNCCC(=O)N(CC)CC 2230a_100000102301_100011194432 [0,2,0,0,0,0|2,0,0]=4 14782 B13R0.277 CCCCNCCC(=O)N(CC)CC 7a_106832991798_100011194432 [0,2,0,0,0,0|2,0,0]=4 14783 B13R0.277 CCCCOCCC(=O)C(CC)CC 1458a_100000211163_100000743108 [0,2,0,0,0,0|2,0,0]=4 14784 B13R0.277 CCCCOCCC(=O)C(CC)OC 1458a_100000747056_100000743108 [0,2,0,0,0,0|2,0,0]=4 14785 B13R0.277 CCCCOCCC(=O)N(CC)CC 7a_100000210227_100011194432 [0,2,0,0,0,0|2,0,0]=4 14786 B13R0.277 CCCCSCCC(=O)N(CC)CC 62a_100000210211_100011194432 [0,2,0,0,0,0|2,0,0]=4 14787 B13R0.277 CCCSCCCC(=O)N(CC)CC 62a_100000210303_100000183999 [0,2,0,0,0,0|2,0,0]=4 14788 B13R0.277 CCN(CC)C(=O)CCCCCCO 240690a_100000724800_100011996774 [0,2,0,0,0,0|2,0,0]=4 14789 B13R0.277 CCN(CC)C(=O)CCCCCOC 11a_100000724800_100011935119 [0,2,0,0,0,0|2,0,0]=4 14790 B13R0.277 CCN(CC)C(=O)CCCCCOC 1626a_100000724800_100011935119 [0,2,0,0,0,0|2,0,0]=4 14791 B13R0.277 CCN(CC)C(=O)CCCCCOC 240690a_100000724800_100011935119 [0,2,0,0,0,0|2,0,0]=4 14792 B13R0.277 CCN(CC)C(=O)CCCCCOC 527a_100000724800_100011935119 [0,2,0,0,0,0|2,0,0]=4 14793 B13R0.369 CCCC(C)COCC(=O)N(C)CC 34a_100000688023_100000738999 [0,2,0,0,0,0|2,0,0]=4 14794 B13R0.369 CCCC(C)COCC(=O)N(C)CC 7a_100000688023_100000738999 [0,2,0,0,0,0|2,0,0]=4 14795 B13R0.369 CCCC(C)CSCC(=O)N(C)CC 62a_100000738999_100011216630 [0,2,0,0,0,0|2,0,0]=4 14796 B13R0.369 CCCC(C)CSCC(=O)N(C)CC 62a_100011216630_100000738999 [0,2,0,0,0,0|2,0,0]=4 14797 B13R0.369 CCC[C@H](N)COCC(=O)N(C)CC 34a_100000732646_100000738999 [0,2,0,0,0,0|2,0,0]=4 14798 B13R0.369 CCNC(=O)CCCC(=O)C(C)CC 1458a_100000199580_100000758301 [0,2,0,0,0,0|1,0,1]=4 14799 B13R0.369 CCNC(=O)CCNC(C)C(C)CC 269862a_100025743525_100000210599 [0,2,0,0,0,0|2,0,0]=4 14800 B13R0.369 CCNC(=O)CCNC(C)C(C)CC 270004a_100025743525_100000210599 [0,2,0,0,0,0|2,0,0]=4 14801 B13R0.369 CCNC(=O)CCOC(C)C(C)CC 7a_100011215189_100000737597 [0,2,0,0,0,0|2,0,0]=4 14802 B13R0.369 CCOC(=O)CCCC(=O)C(C)CC 1458a_100000210991_100000758301 [0,2,0,0,0,0|0,0,1]=3 14803 B13R0.369 CCOC(=O)CCCC(=O)C(C)CC 1458a_100011192722_100011215271 [0,2,0,0,0,0|0,0,1]=3 14804 B13R0.369 CCOC(=O)CCCC(=O)C(C)OC 1458a_100000743197_100011215271 [0,2,0,0,0,0|1,0,1]=4 14805 B13R0.369 CCOC(=O)CCCC(=O)C(C)SC 1458a_100000149566_100011215271 [0,2,0,0,0,0|1,0,1]=4 14806 B13R0.369 CCOC(=O)CCCC(=O)C(O)CC 1458a_100011196387_100011215271 [0,2,0,0,0,0|0,0,1]=3 14807 B13R0.369 CCOC(=O)CCCC(=O)C(O)CO 1458a_100011215603_100011215271 [0,2,0,0,0,0|1,0,1]=4 14808 B13R0.369 CCOC(=O)CCCC(=O)N(C)CC 11a_100000225621_100000210991 [0,2,0,0,0,0|1,0,1]=4 14809 B13R0.369 CCOC(=O)CCCC(=O)N(C)CC 1626a_100000225621_100000210991 [0,2,0,0,0,0|1,0,1]=4 14810 B13R0.369 CCOC(=O)CCCC(=O)N(C)CC 240690a_100000225621_100000210991 [0,2,0,0,0,0|1,0,1]=4 14811 B13R0.369 CCOC(=O)CCCC(=O)N(C)CC 527a_100000225621_100000210991 [0,2,0,0,0,0|1,0,1]=4 14812 B13R0.369 CCOC(=O)CCCN(C)C(C)CC 2230a_100000741768_100009991533 [0,2,0,0,0,0|1,0,0]=3 14813 B13R0.369 CCOC(=O)CCCN(C)C(C)CC 269982a_100000741768_100009991533 [0,2,0,0,0,0|1,0,0]=3 14814 B13R0.369 CCOC(=O)CCCN(C)C(C)CO 2230a_100000693034_100009991533 [0,2,0,0,0,0|2,0,0]=4 14815 B13R0.369 CCOC(=O)CCCN(C)C(C)CO 269982a_100000693034_100009991533 [0,2,0,0,0,0|2,0,0]=4 14816 B13R0.369 CCOC(=O)CCNC(=O)C(C)CC 188690a_100000746078_100011192722 [0,2,0,0,0,0|1,0,1]=4 14817 B13R0.369 CCOC(=O)CCNC(=O)C(O)CC 188690a_100000746078_100011196387 [0,2,0,0,0,0|1,0,1]=4 14818 B13R0.369 CCOC(=O)CCOC(C)C(C)CC 7a_100011215189_100011206558 [0,2,0,0,0,0|1,0,0]=3 14819 B13R0.369 CCOC(=O)CCSC(C)C(=O)CC 62a_100000742827_100000765890 [0,2,0,0,0,0|1,0,1]=4 14820 B13R0.369 CCOC(=O)CCSC(C)C(=O)CC 62a_100000765890_100000742827 [0,2,0,0,0,0|1,0,1]=4 14821 B13R0.369 CCOC(=O)COCC(C)N(C)CC 7a_100000732741_100000188475 [0,2,0,0,0,0|2,0,0]=4 14822 B13R0.369 CCOC(=O)NCCC(=O)C(C)CC 1458a_100011192722_200011445536 [0,2,0,0,0,0|1,0,1]=4 14823 B13R0.369 CCOC(=O)NCCC(=O)C(O)CC 1458a_100011196387_200011445536 [0,2,0,0,0,0|1,0,1]=4 14824 B13R0.369 CCOC(=O)NCCN(C)C(C)CC 269982a_100000741768_200011445536 [0,2,0,0,0,0|2,0,0]=4 14825 B13R0.422 C/C=C(\C)/C(=O)C(C)CCCCCC 1458a_100020587367_100011215978 [0,2,0,0,0,0|1,0,1]=4 14826 B13R0.422 CCCCCCC(C)C(=O)C(=O)NC 1458a_100011218921_100011215978 [0,2,0,0,0,0|2,0,0]=4 14827 B13R0.422 CCCCCCC(C)C(=O)C(C)CC 1458a_100011192722_100011215978 [0,2,0,0,0,0|1,0,0]=3 14828 B13R0.422 CCCCCCC(C)C(=O)C(C)OC 1458a_100000743197_100011215978 [0,2,0,0,0,0|2,0,0]=4 14829 B13R0.422 CCCCCCC(C)C(=O)C(C)SC 1458a_100000149566_100011215978 [0,2,0,0,0,0|2,0,0]=4 14830 B13R0.422 CCCCCCC(C)C(=O)C(O)CC 1458a_100011196387_100011215978 [0,2,0,0,0,0|1,0,0]=3 14831 B13R0.422 CCCCCCC(C)C(=O)C(O)CO 1458a_100011215603_100011215978 [0,2,0,0,0,0|2,0,0]=4 14832 B13R0.422 CCCCCCC(O)C(=O)C(C)CC 1458a_100011215828_100000758301 [0,2,0,0,0,0|1,0,0]=3 14833 B13R0.422 CCCCCCC(O)C(=O)N(C)CC 240690a_100000225621_100011215828 [0,2,0,0,0,0|1,0,0]=3 14834 B13R0.422 CCCCCCN(C)C(=O)C(C)CC 11a_106256046315_100011192722 [0,2,0,0,0,0|2,0,0]=4 14835 B13R0.422 CCCCCCN(C)C(=O)C(C)CC 1626a_106256046315_100011192722 [0,2,0,0,0,0|2,0,0]=4 14836 B13R0.422 CCCCCCN(C)C(=O)C(C)CC 240690a_106256046315_100011192722 [0,2,0,0,0,0|2,0,0]=4 14837 B13R0.422 CCCCCCN(C)C(=O)C(C)CC 527a_106256046315_100011192722 [0,2,0,0,0,0|2,0,0]=4 14838 B13R0.422 CCCCCCN(C)C(=O)C(O)CC 240690a_106256046315_100011196387 [0,2,0,0,0,0|2,0,0]=4 14839 B13R0.422 CCCCCNC(C)C(=O)N(C)CC 2230a_100000209983_200012002205 [0,2,0,0,0,0|2,0,0]=4 14840 B13R0.422 CCCCCOC(C)C(=O)N(C)CC 34a_100000210253_200012002205 [0,2,0,0,0,0|2,0,0]=4 14841 B13R0.422 CCCCCOC(C)C(=O)N(C)CC 7a_100000210253_200012002205 [0,2,0,0,0,0|2,0,0]=4 14842 B13R0.422 CCCCCSC(C)C(=O)N(C)CC 62a_100000210326_200012002205 [0,2,0,0,0,0|2,0,0]=4 14843 B13R0.422 CCCCCSC(C)C(=O)N(C)CC 62a_200012002205_100000210326 [0,2,0,0,0,0|2,0,0]=4 14844 B13R0.1293 CCCCCC(=O)CC(=O)C(C)CC 1458a_100011192722_200012276598 [0,2,0,0,0,0|1,0,1]=4 14845 B13R0.1293 CCCCCC(=O)CC(=O)C(O)CC 1458a_100011196387_200012276598 [0,2,0,0,0,0|1,0,1]=4 14846 B13R0.1293 CCCCCC(=O)CC(=O)N(C)CC 1458a_100000212188_100011894763 [0,2,0,0,0,0|1,0,1]=4 14847 B13R0.1293 CCCCCC(C)NC(=O)C(C)CC 11a_100000211957_100011192722 [0,2,0,0,0,0|2,0,0]=4 14848 B13R0.1293 CCCCCC(C)NC(=O)C(C)CC 1626a_100000211957_100011192722 [0,2,0,0,0,0|2,0,0]=4 14849 B13R0.1293 CCCCCC(C)NC(=O)C(C)CC 240690a_100000211957_100011192722 [0,2,0,0,0,0|2,0,0]=4 14850 B13R0.1293 CCCCCC(C)NC(=O)C(C)CC 527a_100000211957_100011192722 [0,2,0,0,0,0|2,0,0]=4 14851 B13R0.1293 CCCCCC(C)NC(=O)C(O)CC 240690a_100000211957_100011196387 [0,2,0,0,0,0|2,0,0]=4 14852 B13R0.1293 CCCCCC(C)NC(=O)N(C)CC 2708a_100000211957_100000225621 [0,2,0,0,0,0|2,0,0]=4 14853 B13R0.1293 CCCCCC(C)NC(=O)N(C)CC 273464a_100000211957_100000225621 [0,2,0,0,0,0|2,0,0]=4 14854 B13R0.1293 CCCCCN(C)CC(=O)N(C)CC 2230a_100000223495_100000738999 [0,2,0,0,0,0|2,0,0]=4 14855 B13R0.1293 CCCCCN(C)CC(=O)N(C)CC 269982a_100000223495_100000738999 [0,2,0,0,0,0|2,0,0]=4 14856 B13R0.17 CCCC(=O)CNC(C)CC(C)CC 2230a_100000763565_100000747444 [0,2,0,0,0,0|2,0,0]=4 14857 B13R0.17 CCNC(=O)CCC(=O)CC(C)CC 1458a_100000199579_100000748023 [0,2,0,0,0,0|1,0,1]=4 14858 B13R0.17 CCNC(=O)CCC(=O)CC(O)CC 1458a_100000199579_100011218378 [0,2,0,0,0,0|1,0,1]=4 14859 B13R0.17 CCNC(=O)CCC(=O)C[C@@H](C)CC 1458a_100000199579_100009816398 [0,2,0,0,0,0|1,0,1]=4 14860 B13R0.17 CCNC(=O)CCN(C)CC(C)CC 2230a_100000753921_100000737597 [0,2,0,0,0,0|2,0,0]=4 14861 B13R0.17 CCNC(=O)CCN(C)CC(C)CC 269982a_100000753921_100000737597 [0,2,0,0,0,0|2,0,0]=4 14862 B13R0.17 CCNC(=O)CNC(C)CC(C)CC 2230a_100000763565_100000183381 [0,2,0,0,0,0|2,0,0]=4 14863 B13R0.17 CCNC(=O)CNC(C)CC(C)CC 270004a_100016988866_100011710205 [0,2,0,0,0,0|2,0,0]=4 14864 B13R0.17 CCOC(=O)CCC(=O)CC(=O)CC 1458a_100000183558_100000747405 [0,2,0,0,0,0|0,0,2]=4 14865 B13R0.17 CCOC(=O)CCC(=O)CC(C)CC 1458a_100000183558_100000748023 [0,2,0,0,0,0|0,0,1]=3 14866 B13R0.17 CCOC(=O)CCC(=O)CC(O)CC 1458a_100000183558_100011218378 [0,2,0,0,0,0|0,0,1]=3 14867 B13R0.17 CCOC(=O)CCC(=O)C[C@@H](C)CC 1458a_100000183558_100009816398 [0,2,0,0,0,0|0,0,1]=3 14868 B13R0.17 CCOC(=O)CCC(=O)C[C@@H](C)CO 1458a_100000183558_100000059175 [0,2,0,0,0,0|1,0,1]=4 14869 B13R0.17 CCOC(=O)CCC(=O)NC(C)CC 11a_100000209981_100000183558 [0,2,0,0,0,0|1,0,1]=4 14870 B13R0.17 CCOC(=O)CCC(=O)NC(C)CC 1626a_100000209981_100000183558 [0,2,0,0,0,0|1,0,1]=4 14871 B13R0.17 CCOC(=O)CCC(=O)NC(C)CC 240690a_100000209981_100000183558 [0,2,0,0,0,0|1,0,1]=4 14872 B13R0.17 CCOC(=O)CCC(C)NC(C)CC 2230a_100000209981_100000748298 [0,2,0,0,0,0|1,0,0]=3 14873 B13R0.17 CCOC(=O)CCC(C)N[C@H](C)CO 2230a_100000737577_100000748298 [0,2,0,0,0,0|2,0,0]=4 14874 B13R0.17 CCOC(=O)CCC(C)OC(C)CC 7a_100000210228_100000748298 [0,2,0,0,0,0|1,0,0]=3 14875 B13R0.17 CCOC(=O)CCC(C)OC(C)CF 34a_100016041109_100000748298 [0,2,0,0,0,0|2,0,0]=4 14876 B13R0.17 CCOC(=O)CCC(C)OC(C)CF 7a_100016041109_100000748298 [0,2,0,0,0,0|2,0,0]=4 14877 B13R0.17 CCOC(=O)CCC(C)OC(C)CN 34a_100000210904_100000748298 [0,2,0,0,0,0|2,0,0]=4 14878 B13R0.17 CCOC(=O)CCC(C)SC(C)CC 62a_100000748298_100000758301 [0,2,0,0,0,0|1,0,0]=3 14879 B13R0.17 CCOC(=O)CCC(C)SC(C)CC 62a_100000758301_100000748298 [0,2,0,0,0,0|1,0,0]=3 14880 B13R0.17 CCOC(=O)CCC(C)SC(C)CO 62a_100012180447_100000748298 [0,2,0,0,0,0|2,0,0]=4 14881 B13R0.17 CCOC(=O)CCC(C)SC(C)OC 62a_100000748298_100009879195 [0,2,0,0,0,0|2,0,0]=4 14882 B13R0.17 CCOC(=O)CCC(C)SC(C)OC 62a_100009879195_100000748298 [0,2,0,0,0,0|2,0,0]=4 14883 B13R0.17 CCOC(=O)CCC(C)S[C@H](C)CO 62a_100000748298_100016084084 [0,2,0,0,0,0|2,0,0]=4 14884 B13R0.17 CCOC(=O)CCC(C)S[C@H](C)CO 62a_100016084084_100000748298 [0,2,0,0,0,0|2,0,0]=4 14885 B13R0.17 CCOC(=O)CCN(C)CC(=O)CC 269982a_100000745921_100000747405 [0,2,0,0,0,0|1,0,1]=4 14886 B13R0.17 CCOC(=O)CCN(C)CC(C)CC 2230a_100000745921_100000748023 [0,2,0,0,0,0|1,0,0]=3 14887 B13R0.17 CCOC(=O)CCN(C)CC(C)CC 2230a_100000753921_100011206558 [0,2,0,0,0,0|1,0,0]=3 14888 B13R0.17 CCOC(=O)CCN(C)CC(C)CC 269982a_100000745921_100000748023 [0,2,0,0,0,0|1,0,0]=3 14889 B13R0.17 CCOC(=O)CCN(C)CC(C)CC 269982a_100000753921_100011206558 [0,2,0,0,0,0|1,0,0]=3 14890 B13R0.17 CCOC(=O)CCN(C)CC(O)CC 2230a_100000745921_100011218378 [0,2,0,0,0,0|1,0,0]=3 14891 B13R0.17 CCOC(=O)CCN(C)CC(O)CC 269982a_100000745921_100011218378 [0,2,0,0,0,0|1,0,0]=3 14892 B13R0.17 CCOC(=O)CCN(C)CC(O)CO 2230a_100000745921_100011219619 [0,2,0,0,0,0|2,0,0]=4 14893 B13R0.17 CCOC(=O)CCN(C)CC(O)CO 2230a_100011216503_100011206558 [0,2,0,0,0,0|2,0,0]=4 14894 B13R0.17 CCOC(=O)CCN(C)CC(O)CO 269982a_100011216503_100011206558 [0,2,0,0,0,0|2,0,0]=4 14895 B13R0.17 CCOC(=O)CCN(C)C[C@@H](C)CC 2230a_100000745921_100009816398 [0,2,0,0,0,0|1,0,0]=3 14896 B13R0.17 CCOC(=O)CCN(C)C[C@@H](C)CC 269982a_100000745921_100009816398 [0,2,0,0,0,0|1,0,0]=3 14897 B13R0.17 CCOC(=O)CCN(C)C[C@@H](C)CO 2230a_100000745921_100000059175 [0,2,0,0,0,0|2,0,0]=4 14898 B13R0.17 CCOC(=O)CCN(C)C[C@@H](C)CO 269982a_100000745921_100000059175 [0,2,0,0,0,0|2,0,0]=4 14899 B13R0.17 CCOC(=O)CCN(C)C[C@@H](O)CF 2230a_100000745921_100015614560 [0,2,0,0,0,0|2,0,0]=4 14900 B13R0.17 CCOC(=O)CCN(C)C[C@@H](O)CO 2230a_100000745921_100009815848 [0,2,0,0,0,0|2,0,0]=4 14901 B13R0.17 CCOC(=O)CNC(=O)CC(C)CC 188690a_100000741813_100000708755 [0,2,0,0,0,0|1,0,1]=4 14902 B13R0.17 CCOC(=O)CNC(=O)CC(O)CC 188690a_100000741813_100011667805 [0,2,0,0,0,0|1,0,1]=4 14903 B13R0.17 CCOC(=O)CNC(C)CC(C)CC 2230a_100000763565_100000188475 [0,2,0,0,0,0|1,0,0]=3 14904 B13R0.17 CCOC(=O)NCC(=O)CC(C)CC 1458a_100000190774_100000748023 [0,2,0,0,0,0|1,0,1]=4 14905 B13R0.17 CCOC(=O)NCC(=O)CC(O)CC 1458a_100000190774_100011218378 [0,2,0,0,0,0|1,0,1]=4 14906 B13R0.17 CCOC(=O)NCC(=O)C[C@@H](C)CC 1458a_100000190774_100009816398 [0,2,0,0,0,0|1,0,1]=4 14907 B13R0.18 C=C(COC(C)CCC)C(=O)OCC 34a_100000764384_100000755967 [0,2,0,0,0,0|1,0,1]=4 14908 B13R0.18 C=C(COC(C)CCC)C(=O)OCC 7a_100000764384_100000755967 [0,2,0,0,0,0|1,0,1]=4 14909 B13R0.18 C=C(CSC(C)CCC)C(=O)OCC 62a_100000755967_100000766640 [0,2,0,0,0,0|1,0,1]=4 14910 B13R0.18 C=C(CSC(C)CCC)C(=O)OCC 62a_100000766640_100000755967 [0,2,0,0,0,0|1,0,1]=4 14911 B13R0.18 CCCC(=O)C(C)CCC(=O)OCC 1458a_100000211992_100000748298 [0,2,0,0,0,0|0,0,1]=3 14912 B13R0.18 CCCC(=O)COC(C)C(C)CCC 7a_100000708338_100000747444 [0,2,0,0,0,0|2,0,0]=4 14913 B13R0.18 CCCC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000747444 [0,2,0,0,0,0|1,0,1]=4 14914 B13R0.18 CCCC(=O)CSC(C)C(=O)OCC 62a_100000747444_100011216346 [0,2,0,0,0,0|1,0,1]=4 14915 B13R0.18 CCCC(=O)CSC(C)C(=O)OCC 62a_100011216346_100000747444 [0,2,0,0,0,0|1,0,1]=4 14916 B13R0.18 CCCC(=O)CSC(F)C(=O)OCC 62a_100000747444_100000760018 [0,2,0,0,0,0|1,0,1]=4 14917 B13R0.18 CCCC(=O)CSC(F)C(=O)OCC 62a_100000760018_100000747444 [0,2,0,0,0,0|1,0,1]=4 14918 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000211992 [0,2,0,0,0,0|1,0,1]=4 14919 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000211992 [0,2,0,0,0,0|1,0,1]=4 14920 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000211992 [0,2,0,0,0,0|1,0,1]=4 14921 B13R0.18 CCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000211992 [0,2,0,0,0,0|1,0,1]=4 14922 B13R0.18 CCCC(C)C(=O)CCC(=O)NCC 1458a_100000199579_100000766640 [0,2,0,0,0,0|1,0,1]=4 14923 B13R0.18 CCCC(C)C(=O)CCC(=O)OCC 1458a_100000183558_100000766640 [0,2,0,0,0,0|0,0,1]=3 14924 B13R0.18 CCCC(C)C(=O)CNC(=O)OCC 1458a_100000190774_100000766640 [0,2,0,0,0,0|1,0,1]=4 14925 B13R0.18 CCCC(C)C(=O)NCC(=O)OCC 188690a_100000741813_100000210906 [0,2,0,0,0,0|1,0,1]=4 14926 B13R0.18 CCCC(C)C(C)NCC(=O)NCC 270004a_100016988866_100011216282 [0,2,0,0,0,0|2,0,0]=4 14927 B13R0.18 CCCC(C)C(C)OCC(=O)NCC 34a_100000708338_100000183381 [0,2,0,0,0,0|2,0,0]=4 14928 B13R0.18 CCCC(C)C(C)OCC(=O)NCC 7a_100000708338_100000183381 [0,2,0,0,0,0|2,0,0]=4 14929 B13R0.18 CCCC(C)C(C)OCC(=O)OCC 34a_100000708338_100000188475 [0,2,0,0,0,0|1,0,0]=3 14930 B13R0.18 CCCC(C)C(C)OCC(=O)OCC 7a_100000708338_100000188475 [0,2,0,0,0,0|1,0,0]=3 14931 B13R0.18 CCCC(C)CNC(C)C(=O)NCC 2230a_100000736553_100011216630 [0,2,0,0,0,0|2,0,0]=4 14932 B13R0.18 CCCC(C)CNC(C)C(=O)NCC 270004a_100000736553_100000243154 [0,2,0,0,0,0|2,0,0]=4 14933 B13R0.18 CCCC(C)CNC(C)C(=O)NCC 34a_100000736553_100011216630 [0,2,0,0,0,0|2,0,0]=4 14934 B13R0.18 CCCC(C)CN[C@@H](C)C(=O)SCC 2230a_100103168634_100011216630 [0,2,0,0,0,0|1,1,0]=4 14935 B13R0.18 CCCC(C)COC(C)C(=O)NCC 34a_100000688023_100000230173 [0,2,0,0,0,0|2,0,0]=4 14936 B13R0.18 CCCC(C)COC(C)C(=O)NCC 7a_100000688023_100000230173 [0,2,0,0,0,0|2,0,0]=4 14937 B13R0.18 CCCC(C)COC(C)C(=O)OCC 34a_100000688023_100011216346 [0,2,0,0,0,0|1,0,0]=3 14938 B13R0.18 CCCC(C)COC(C)C(=O)OCC 7a_100000688023_100011216346 [0,2,0,0,0,0|1,0,0]=3 14939 B13R0.18 CCCC(C)COC(F)C(=O)OCC 34a_100000688023_100000760018 [0,2,0,0,0,0|1,0,0]=3 14940 B13R0.18 CCCC(C)COC(F)C(=O)OCC 7a_100000688023_100000040065 [0,2,0,0,0,0|1,0,0]=3 14941 B13R0.18 CCCC(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100011216630 [0,2,0,0,0,0|1,0,0]=3 14942 B13R0.18 CCCC(C)CSC(C)C(=O)NCC 62a_100000230173_100011216630 [0,2,0,0,0,0|2,0,0]=4 14943 B13R0.18 CCCC(C)CSC(C)C(=O)NCC 62a_100011216630_100000230173 [0,2,0,0,0,0|2,0,0]=4 14944 B13R0.18 CCCC(C)CSC(C)C(=O)OCC 62a_100011216346_100011216630 [0,2,0,0,0,0|1,0,0]=3 14945 B13R0.18 CCCC(C)CSC(C)C(=O)OCC 62a_100011216630_100011216346 [0,2,0,0,0,0|1,0,0]=3 14946 B13R0.18 CCCC(C)CSC(F)C(=O)OCC 62a_100000760018_100011216630 [0,2,0,0,0,0|1,0,0]=3 14947 B13R0.18 CCCC(C)CSC(F)C(=O)OCC 62a_100011216630_100000760018 [0,2,0,0,0,0|1,0,0]=3 14948 B13R0.18 CCCC(C)N(C)CCC(=O)OCC 2230a_100000745921_100000766640 [0,2,0,0,0,0|1,0,0]=3 14949 B13R0.18 CCCC(C)N(C)CCC(=O)OCC 269982a_100000745921_100000766640 [0,2,0,0,0,0|1,0,0]=3 14950 B13R0.18 CCCC(C)SCC(=O)C(=O)OCC 62a_100000211299_100000766640 [0,2,0,0,0,0|1,0,1]=4 14951 B13R0.18 CCCC(C)SCC(=O)C(=O)OCC 62a_100000766640_100000211299 [0,2,0,0,0,0|1,0,1]=4 14952 B13R0.18 CCCN(C)C(=O)CCC(=O)OCC 11a_100000747261_100000183558 [0,2,0,0,0,0|1,0,1]=4 14953 B13R0.18 CCCN(C)C(=O)CCC(=O)OCC 1626a_100000747261_100000183558 [0,2,0,0,0,0|1,0,1]=4 14954 B13R0.18 CCCN(C)C(=O)CCC(=O)OCC 240690a_100000747261_100000183558 [0,2,0,0,0,0|1,0,1]=4 14955 B13R0.18 CCCN(C)C(C)CCC(=O)OCC 2230a_100000747261_100000748298 [0,2,0,0,0,0|1,0,0]=3 14956 B13R0.18 CCCN(C)C(C)CCC(=O)OCC 269982a_100000747261_100000748298 [0,2,0,0,0,0|1,0,0]=3 14957 B13R0.18 CCC[C@H](N)COC(C)C(=O)NCC 34a_100000732646_100000230173 [0,2,0,0,0,0|2,0,0]=4 14958 B13R0.18 CCC[C@H](N)COC(C)C(=O)OCC 34a_100000732646_100011216346 [0,2,0,0,0,0|1,0,0]=3 14959 B13R0.18 CCC[C@H](N)COC(F)C(=O)OCC 34a_100000732646_100000760018 [0,2,0,0,0,0|1,0,0]=3 14960 B13R0.18 CCC[C@H](O)C(=O)NCC(=O)OCC 188690a_100000741813_100009822183 [0,2,0,0,0,0|1,0,1]=4 14961 B13R0.18 CCOC(=O)C(C)NCC(O)COC 2230a_100000756049_100011215307 [0,2,0,0,0,0|2,0,0]=4 14962 B13R0.18 CCOC(=O)C(C)NCC(O)COC 34a_100000756049_100011216346 [0,2,0,0,0,0|2,0,0]=4 14963 B13R0.18 CCOC(=O)C(C)OCC(C)CCN 34a_106354213184_100011216346 [0,2,0,0,0,0|2,0,0]=4 14964 B13R0.18 CCOC(=O)C(C)OCC(N)COC 34a_100000724102_100011216346 [0,2,0,0,0,0|2,0,0]=4 14965 B13R0.18 CCOC(=O)C(C)SCC(O)COC 62a_100011215053_100011216346 [0,2,0,0,0,0|2,0,0]=4 14966 B13R0.18 CCOC(=O)C(C)SCC(O)COC 62a_100011216346_100011215053 [0,2,0,0,0,0|2,0,0]=4 14967 B13R0.18 CCOC(=O)C(F)NCC(O)COC 2230a_100000756049_100000760018 [0,2,0,0,0,0|2,0,0]=4 14968 B13R0.18 CCOC(=O)C(F)NCC(O)COC 34a_100000756049_100000760018 [0,2,0,0,0,0|2,0,0]=4 14969 B13R0.18 CCOC(=O)C(F)OCC(C)CCN 34a_106354213184_100000760018 [0,2,0,0,0,0|2,0,0]=4 14970 B13R0.18 CCOC(=O)C(F)OCC(N)COC 34a_100000724102_100000760018 [0,2,0,0,0,0|2,0,0]=4 14971 B13R0.18 CCOC(=O)C(F)SCC(O)COC 62a_100000760018_100011215053 [0,2,0,0,0,0|2,0,0]=4 14972 B13R0.18 CCOC(=O)C(F)SCC(O)COC 62a_100011215053_100000760018 [0,2,0,0,0,0|2,0,0]=4 14973 B13R0.18 CCOC(=O)CCC(=O)C(C)CCO 1458a_100000183558_100009893172 [0,2,0,0,0,0|1,0,1]=4 14974 B13R0.18 CCOC(=O)CCC(=O)C(C)COC 1458a_100000183558_100000765312 [0,2,0,0,0,0|1,0,1]=4 14975 B13R0.18 CCOC(=O)CCC(C)C(=O)CCO 1458a_100011216618_100000748298 [0,2,0,0,0,0|1,0,1]=4 14976 B13R0.18 CCOC(=O)CCC(C)C(=O)COC 1458a_100000210968_100000748298 [0,2,0,0,0,0|1,0,1]=4 14977 B13R0.18 CCOC(=O)CCC(C)C(=O)CSC 1458a_100000184570_100000748298 [0,2,0,0,0,0|1,0,1]=4 14978 B13R0.18 CCOC(=O)CCC(C)N(C)CCO 2230a_100000210263_100000748298 [0,2,0,0,0,0|2,0,0]=4 14979 B13R0.18 CCOC(=O)CCC(C)N(C)CCO 269982a_100000210263_100000748298 [0,2,0,0,0,0|2,0,0]=4 14980 B13R0.18 CCOC(=O)CCN(C)C(C)CCO 2230a_100000731037_100011206558 [0,2,0,0,0,0|2,0,0]=4 14981 B13R0.18 CCOC(=O)CCN(C)C(C)CCO 2230a_100000745921_100009893172 [0,2,0,0,0,0|2,0,0]=4 14982 B13R0.18 CCOC(=O)CCN(C)C(C)CCO 269982a_100000731037_100011206558 [0,2,0,0,0,0|2,0,0]=4 14983 B13R0.18 CCOC(=O)CCN(C)C(C)CCO 269982a_100000745921_100009893172 [0,2,0,0,0,0|2,0,0]=4 14984 B13R0.18 CCOC(=O)CCN(C)C(C)COC 2230a_100000745921_100000765312 [0,2,0,0,0,0|2,0,0]=4 14985 B13R0.18 CCOC(=O)CCN(C)C(C)COC 269982a_100000745921_100000765312 [0,2,0,0,0,0|2,0,0]=4 14986 B13R0.18 CCOC(=O)[C@H](C)OCC(O)COC 7a_100000751109_100011215053 [0,2,0,0,0,0|2,0,0]=4 14987 B13R0.39 CCCCC(=O)C(C)CC(=O)OCC 1458a_100000210183_100009817359 [0,2,0,0,0,0|0,0,1]=3 14988 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100000210183 [0,2,0,0,0,0|1,0,1]=4 14989 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100000210183 [0,2,0,0,0,0|1,0,1]=4 14990 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100000210183 [0,2,0,0,0,0|1,0,1]=4 14991 B13R0.39 CCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100000210183 [0,2,0,0,0,0|1,0,1]=4 14992 B13R0.39 CCCCC(C)C(=O)CC(=O)CCC 1458a_100000725509_100000747444 [0,2,0,0,0,0|1,0,1]=4 14993 B13R0.39 CCCCC(C)C(=O)CC(=O)NCC 1458a_100000725509_100000183381 [0,2,0,0,0,0|1,0,1]=4 14994 B13R0.39 CCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_200011215066 [0,2,0,0,0,0|0,0,1]=3 14995 B13R0.39 CCCCC(C)C(=O)CC(=O)OCC 1458a_100000725509_100000188475 [0,2,0,0,0,0|0,0,1]=3 14996 B13R0.39 CCCCC(C)N(C)CC(=O)NCC 2230a_100000741943_200011215066 [0,2,0,0,0,0|2,0,0]=4 14997 B13R0.39 CCCCC(C)N(C)CC(=O)NCC 269982a_100000741943_200011215066 [0,2,0,0,0,0|2,0,0]=4 14998 B13R0.39 CCCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100000210087 [0,2,0,0,0,0|2,0,0]=4 14999 B13R0.39 CCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_200011215066 [0,2,0,0,0,0|1,0,0]=3 15000 B13R0.39 CCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000210087 [0,2,0,0,0,0|1,0,0]=3 15001 B13R0.39 CCCCC(O)C(=O)CC(=O)CCC 1458a_100000720857_100000747444 [0,2,0,0,0,0|1,0,1]=4 15002 B13R0.39 CCCCC(O)C(=O)CC(=O)NCC 1458a_100000720857_100000183381 [0,2,0,0,0,0|1,0,1]=4 15003 B13R0.39 CCCCC(O)C(=O)CC(=O)OCC 1458a_100000720857_100000188475 [0,2,0,0,0,0|0,0,1]=3 15004 B13R0.39 CCCCN(C)C(=O)CC(=O)OCC 240690a_100000207549_100000243816 [0,2,0,0,0,0|1,0,1]=4 15005 B13R0.39 CCCCN(C)C(C)CC(=O)OCC 2230a_100000207549_100009817359 [0,2,0,0,0,0|1,0,0]=3 15006 B13R0.39 CCCCN(C)C(C)CC(=O)OCC 269982a_100000207549_100009817359 [0,2,0,0,0,0|1,0,0]=3 15007 B13R0.39 CCCCN(C)C(C)OC(=O)OCC 269982a_100000207549_100000036008 [0,2,0,0,0,0|2,0,0]=4 15008 B13R0.39 CCCSC(C)C(=O)CC(=O)OCC 62a_100000210303_100010090504 [0,2,0,0,0,0|1,0,1]=4 15009 B13R0.39 CCCSC(C)C(=O)CC(=O)OCC 62a_100010090504_100000210303 [0,2,0,0,0,0|1,0,1]=4 15010 B13R0.39 CCOC(=O)CC(=O)C(O)CCSC 1458a_100000685904_100000188475 [0,2,0,0,0,0|1,0,1]=4 15011 B13R0.39 CCOC(=O)CC(C)C(=O)CCOC 1458a_100000749529_100009817359 [0,2,0,0,0,0|1,0,1]=4 15012 B13R0.39 CCOC(=O)CC(C)C(=O)CCSC 1458a_100000174002_100009817359 [0,2,0,0,0,0|1,0,1]=4 15013 B13R0.39 CCOC(=O)CC(C)C(=O)CSCC 1458a_100000230394_100009817359 [0,2,0,0,0,0|1,0,1]=4 15014 B13R0.39 CCOC(=O)CC(C)N(C)CCCO 2230a_100000213112_100009817359 [0,2,0,0,0,0|2,0,0]=4 15015 B13R0.39 CCOC(=O)CC(C)N(C)CCCO 269982a_100000213112_100009817359 [0,2,0,0,0,0|2,0,0]=4 15016 B13R0.39 CCOC(=O)CC(C)N(C)CCOC 2230a_100000743101_100009817359 [0,2,0,0,0,0|2,0,0]=4 15017 B13R0.39 CCOC(=O)CC(C)N(C)CCOC 269982a_100000743101_100009817359 [0,2,0,0,0,0|2,0,0]=4 15018 B13R0.39 CCOC(=O)CC(C)N(C)CCSC 2230a_100000686725_100009817359 [0,2,0,0,0,0|2,0,0]=4 15019 B13R0.39 CCOC(=O)CC(C)N(C)CCSC 269982a_100000686725_100009817359 [0,2,0,0,0,0|2,0,0]=4 15020 B13R0.39 CCOC(=O)CN(C)C(C)CCOC 270004a_100000220588_100000742357 [0,2,0,0,0,0|2,0,0]=4 15021 B13R0.39 CCOC(=O)CN(C)C(C)CCSC 270004a_100000220588_100011217047 [0,2,0,0,0,0|2,0,0]=4 15022 B13R0.39 CCOC(=O)CN(C)C(C)CSCC 270004a_100000220588_200011216171 [0,2,0,0,0,0|2,0,0]=4 15023 B13R0.39 CCOCC(=O)C(C)CC(=O)OCC 1458a_100000211967_100009817359 [0,2,0,0,0,0|1,0,1]=4 15024 B13R0.95 C=C(C)CCC(=O)CCC(=O)OCC 1458a_100000183558_100000730704 [0,2,0,0,0,0|0,0,2]=4 15025 B13R0.95 C=C(C)CCN(C)CCC(=O)OCC 2230a_100000745921_100000730704 [0,2,0,0,0,0|1,0,1]=4 15026 B13R0.95 C=C(C)CCN(C)CCC(=O)OCC 269982a_100000745921_100000730704 [0,2,0,0,0,0|1,0,1]=4 15027 B13R0.95 C=C(C)COC(C)CCC(=O)OCC 34a_100000210245_100000748298 [0,2,0,0,0,0|1,0,1]=4 15028 B13R0.95 C=C(C)CSC(C)CCC(=O)OCC 62a_100000748298_100000211660 [0,2,0,0,0,0|1,0,1]=4 15029 B13R0.95 C=C(C)CSC(C)CCC(=O)OCC 62a_100000748629_100000748298 [0,2,0,0,0,0|1,0,1]=4 15030 B13R0.95 CCCC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000747444 [0,2,0,0,0,0|2,0,0]=4 15031 B13R0.95 CCCC(=O)COC(C)CCC(C)C 7a_100011215350_100000747444 [0,2,0,0,0,0|2,0,0]=4 15032 B13R0.95 CCCC(=O)CSC(C)CCC(C)C 62a_100000747444_100011261404 [0,2,0,0,0,0|2,0,0]=4 15033 B13R0.95 CCCC(=O)CSC(C)CCC(C)C 62a_100011261404_100000747444 [0,2,0,0,0,0|2,0,0]=4 15034 B13R0.95 CCNC(=O)CCC(=O)CCC(C)C 1458a_100000199579_100000210312 [0,2,0,0,0,0|1,0,1]=4 15035 B13R0.95 CCNC(=O)CCC(=O)CCC(C)O 1458a_100000199579_100012276601 [0,2,0,0,0,0|1,0,1]=4 15036 B13R0.95 CCNC(=O)CCN(C)CCC(C)C 2230a_100000742789_100000737597 [0,2,0,0,0,0|2,0,0]=4 15037 B13R0.95 CCNC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000737597 [0,2,0,0,0,0|2,0,0]=4 15038 B13R0.95 CCNC(=O)CNC(C)CCC(C)C 2230a_100016988866_100011261404 [0,2,0,0,0,0|2,0,0]=4 15039 B13R0.95 CCNC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000183381 [0,2,0,0,0,0|2,0,0]=4 15040 B13R0.95 CCNC(=O)CNC(C)CCC(C)C 270004a_100016988866_100000210476 [0,2,0,0,0,0|2,0,0]=4 15041 B13R0.95 CCNC(=O)COC(C)CCC(C)C 34a_100011215350_100000183381 [0,2,0,0,0,0|2,0,0]=4 15042 B13R0.95 CCNC(=O)COC(C)CCC(C)C 7a_100011215350_100000183381 [0,2,0,0,0,0|2,0,0]=4 15043 B13R0.95 CCNC(=O)CSC(C)CCC(C)C 62a_100000183381_100011261404 [0,2,0,0,0,0|2,0,0]=4 15044 B13R0.95 CCNC(=O)CSC(C)CCC(C)C 62a_100011261404_100000183381 [0,2,0,0,0,0|2,0,0]=4 15045 B13R0.95 CCOC(=O)CCC(=O)CCC(C)C 1458a_100000183558_100000210312 [0,2,0,0,0,0|0,0,1]=3 15046 B13R0.95 CCOC(=O)CCC(=O)CCC(C)O 1458a_100000183558_100012276601 [0,2,0,0,0,0|0,0,1]=3 15047 B13R0.95 CCOC(=O)CCC(=O)NCC(C)C 11a_100000210953_100000183558 [0,2,0,0,0,0|1,0,1]=4 15048 B13R0.95 CCOC(=O)CCC(=O)NCC(C)C 1626a_100000210953_100000183558 [0,2,0,0,0,0|1,0,1]=4 15049 B13R0.95 CCOC(=O)CCC(=O)NCC(C)C 240690a_100000210953_100000183558 [0,2,0,0,0,0|1,0,1]=4 15050 B13R0.95 CCOC(=O)CCC(=O)NCC(C)O 11a_100000210904_100000183558 [0,2,0,0,0,0|1,0,1]=4 15051 B13R0.95 CCOC(=O)CCC(=O)NCC(C)O 240690a_100000210904_100000183558 [0,2,0,0,0,0|1,0,1]=4 15052 B13R0.95 CCOC(=O)CCC(C)NCC(C)C 2230a_100000210953_100000748298 [0,2,0,0,0,0|1,0,0]=3 15053 B13R0.95 CCOC(=O)CCC(C)NCC(C)C 34a_100000210953_100000748298 [0,2,0,0,0,0|1,0,0]=3 15054 B13R0.95 CCOC(=O)CCC(C)NCC(C)O 2230a_100000210904_100000748298 [0,2,0,0,0,0|1,0,0]=3 15055 B13R0.95 CCOC(=O)CCC(C)NCC(C)O 34a_100000210904_100000748298 [0,2,0,0,0,0|1,0,0]=3 15056 B13R0.95 CCOC(=O)CCC(C)NCC(F)F 34a_100000765723_100000748298 [0,2,0,0,0,0|2,0,0]=4 15057 B13R0.95 CCOC(=O)CCC(C)OCC(=O)C 34a_100000211253_100000748298 [0,2,0,0,0,0|1,0,1]=4 15058 B13R0.95 CCOC(=O)CCC(C)OCC(C)Br 34a_100012180447_100000748298 [0,2,0,0,0,0|1,0,0]=3 15059 B13R0.95 CCOC(=O)CCC(C)OCC(C)C 34a_100000210257_100000748298 [0,2,0,0,0,0|1,0,0]=3 15060 B13R0.95 CCOC(=O)CCC(C)OCC(C)F 34a_100015925927_100000748298 [0,2,0,0,0,0|1,0,0]=3 15061 B13R0.95 CCOC(=O)CCC(C)OCC(F)F 34a_100000743014_100000748298 [0,2,0,0,0,0|2,0,0]=4 15062 B13R0.95 CCOC(=O)CCC(C)OC[C@@H](C)Cl 34a_100016084084_100000748298 [0,2,0,0,0,0|1,0,0]=3 15063 B13R0.95 CCOC(=O)CCC(C)OC[C@@H](C)N 34a_100000737577_100000748298 [0,2,0,0,0,0|1,0,0]=3 15064 B13R0.95 CCOC(=O)CCC(C)SCC(C)C 62a_100000210624_100000748298 [0,2,0,0,0,0|1,0,0]=3 15065 B13R0.95 CCOC(=O)CCC(C)SCC(C)C 62a_100000748298_100000210760 [0,2,0,0,0,0|1,0,0]=3 15066 B13R0.95 CCOC(=O)CCC(C)SCC(C)O 62a_100000748298_100011218427 [0,2,0,0,0,0|1,0,0]=3 15067 B13R0.95 CCOC(=O)CCC(C)SCC(C)O 62a_100011218427_100000748298 [0,2,0,0,0,0|1,0,0]=3 15068 B13R0.95 CCOC(=O)CCC(C)SCC(F)F 62a_100000748298_100011934356 [0,2,0,0,0,0|2,0,0]=4 15069 B13R0.95 CCOC(=O)CCC(C)SCC(F)F 62a_100011934356_100000748298 [0,2,0,0,0,0|2,0,0]=4 15070 B13R0.95 CCOC(=O)CCC(C)SC[C@@H](C)O 62a_100000748298_100009817552 [0,2,0,0,0,0|1,0,0]=3 15071 B13R0.95 CCOC(=O)CCC(C)SC[C@@H](C)O 62a_100009817552_100000748298 [0,2,0,0,0,0|1,0,0]=3 15072 B13R0.95 CCOC(=O)CCN(C)CCC(=O)C 269982a_100000745921_100000053229 [0,2,0,0,0,0|1,0,1]=4 15073 B13R0.95 CCOC(=O)CCN(C)CCC(C)C 2230a_100000742789_100011206558 [0,2,0,0,0,0|1,0,0]=3 15074 B13R0.95 CCOC(=O)CCN(C)CCC(C)C 2230a_100000745921_100000210312 [0,2,0,0,0,0|1,0,0]=3 15075 B13R0.95 CCOC(=O)CCN(C)CCC(C)C 269982a_100000742789_100011206558 [0,2,0,0,0,0|1,0,0]=3 15076 B13R0.95 CCOC(=O)CCN(C)CCC(C)C 269982a_100000745921_100000210312 [0,2,0,0,0,0|1,0,0]=3 15077 B13R0.95 CCOC(=O)CCN(C)CCC(C)O 2230a_100000745921_100012276601 [0,2,0,0,0,0|1,0,0]=3 15078 B13R0.95 CCOC(=O)CCN(C)CCC(C)O 269982a_100000745921_100012276601 [0,2,0,0,0,0|1,0,0]=3 15079 B13R0.95 CCOC(=O)CCN(C)CCN(C)C 269982a_100000225618_100011206558 [0,2,0,0,0,0|2,0,0]=4 15080 B13R0.95 CCOC(=O)CCN(C)CCN(C)C 269982a_100000745921_100000755713 [0,2,0,0,0,0|2,0,0]=4 15081 B13R0.95 CCOC(=O)CCN(C)COC(C)C 2230a_100000745921_100000709892 [0,2,0,0,0,0|2,0,0]=4 15082 B13R0.95 CCOC(=O)CCN(C)COC(C)C 269982a_100000745921_100000709892 [0,2,0,0,0,0|2,0,0]=4 15083 B13R0.95 CCOC(=O)CNC(=O)CCC(C)C 188690a_100000741813_100000181311 [0,2,0,0,0,0|1,0,1]=4 15084 B13R0.95 CCOC(=O)CNC(=O)CCC(C)O 188690a_100000741813_100000718519 [0,2,0,0,0,0|1,0,1]=4 15085 B13R0.95 CCOC(=O)CNC(C)CCC(C)C 2230a_100138410893_100000188475 [0,2,0,0,0,0|1,0,0]=3 15086 B13R0.95 CCOC(=O)COC(C)CCC(C)C 34a_100011215350_100000188475 [0,2,0,0,0,0|1,0,0]=3 15087 B13R0.95 CCOC(=O)COC(C)CCC(C)C 7a_100011215350_100000188475 [0,2,0,0,0,0|1,0,0]=3 15088 B13R0.95 CCOC(=O)CSC(C)CCC(C)C 62a_100000188475_100011261404 [0,2,0,0,0,0|1,0,0]=3 15089 B13R0.95 CCOC(=O)CSC(C)CCC(C)C 62a_100011261404_100000188475 [0,2,0,0,0,0|1,0,0]=3 15090 B13R0.95 CCOC(=O)NCC(=O)CCC(C)C 1458a_100000190774_100000210312 [0,2,0,0,0,0|1,0,1]=4 15091 B13R0.95 CCOC(=O)NCC(=O)CCC(C)O 1458a_100000190774_100012276601 [0,2,0,0,0,0|1,0,1]=4 15092 B13R0.120 C=C(CN(C)CCCC)C(=O)OCC 269982a_100000207549_100000755967 [0,2,0,0,0,0|1,0,1]=4 15093 B13R0.120 CCCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100000210183 [0,2,0,0,0,0|1,0,1]=4 15094 B13R0.120 CCCCC(C)NC(=O)C(=O)OCC 11a_100000126638_100014798877 [0,2,0,0,0,0|1,0,1]=4 15095 B13R0.120 CCCCC(C)NC(=O)C(=O)OCC 1626a_100000126638_100014798877 [0,2,0,0,0,0|1,0,1]=4 15096 B13R0.120 CCCCC(C)NC(=O)C(=O)OCC 240690a_100000126638_100014798877 [0,2,0,0,0,0|1,0,1]=4 15097 B13R0.120 CCCCC(C)NC(C)C(=O)NCC 2230a_100000126638_100000230173 [0,2,0,0,0,0|2,0,0]=4 15098 B13R0.120 CCCCC(C)NC(C)C(=O)NCC 2230a_100000736553_200011215066 [0,2,0,0,0,0|2,0,0]=4 15099 B13R0.120 CCCCC(C)NC(C)C(=O)NCC 270004a_100000736553_100000210087 [0,2,0,0,0,0|2,0,0]=4 15100 B13R0.120 CCCCC(C)NC(C)C(=O)NCC 34a_100000736553_200011215066 [0,2,0,0,0,0|2,0,0]=4 15101 B13R0.120 CCCCC(C)NC(C)C(=O)OCC 2230a_100000126638_100011215307 [0,2,0,0,0,0|1,0,0]=3 15102 B13R0.120 CCCCC(C)NC(F)C(=O)OCC 2230a_100000126638_100000760018 [0,2,0,0,0,0|1,0,0]=3 15103 B13R0.120 CCCCC(C)N[C@@H](C)C(=O)SCC 2230a_100103168634_200011215066 [0,2,0,0,0,0|1,1,0]=4 15104 B13R0.120 CCCCC(C)OC(C)C(=O)NCC 34a_100000687866_100000230173 [0,2,0,0,0,0|2,0,0]=4 15105 B13R0.120 CCCCC(C)OC(C)C(=O)NCC 7a_100000687866_100000230173 [0,2,0,0,0,0|2,0,0]=4 15106 B13R0.120 CCCCC(C)OC(C)C(=O)OCC 34a_100000687866_100011216346 [0,2,0,0,0,0|1,0,0]=3 15107 B13R0.120 CCCCC(C)OC(C)C(=O)OCC 7a_100000687866_100011216346 [0,2,0,0,0,0|1,0,0]=3 15108 B13R0.120 CCCCC(C)OC(F)C(=O)OCC 34a_100000687866_100000760018 [0,2,0,0,0,0|1,0,0]=3 15109 B13R0.120 CCCCC(C)OC(F)C(=O)OCC 7a_100000687866_100000040065 [0,2,0,0,0,0|1,0,0]=3 15110 B13R0.120 CCCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_200011215066 [0,2,0,0,0,0|1,0,0]=3 15111 B13R0.120 CCCCC(C)SC(C)C(=O)NCC 62a_100000230173_200011215066 [0,2,0,0,0,0|2,0,0]=4 15112 B13R0.120 CCCCC(C)SC(C)C(=O)NCC 62a_200011215066_100000230173 [0,2,0,0,0,0|2,0,0]=4 15113 B13R0.120 CCCCC(C)SC(C)C(=O)OCC 62a_100011216346_200011215066 [0,2,0,0,0,0|1,0,0]=3 15114 B13R0.120 CCCCC(C)SC(C)C(=O)OCC 62a_200011215066_100011216346 [0,2,0,0,0,0|1,0,0]=3 15115 B13R0.120 CCCCC(C)SC(F)C(=O)OCC 62a_100000760018_200011215066 [0,2,0,0,0,0|1,0,0]=3 15116 B13R0.120 CCCCC(C)SC(F)C(=O)OCC 62a_200011215066_100000760018 [0,2,0,0,0,0|1,0,0]=3 15117 B13R0.120 CCCCN(C)CC(=O)C(=O)OCC 269982a_100000207549_100000211299 [0,2,0,0,0,0|1,0,1]=4 15118 B13R0.120 CCOC(=O)C(C)OC(C)CCCCl 34a_200000718107_100011216346 [0,2,0,0,0,0|2,0,0]=4 15119 B13R0.120 CCOC(=O)C(C)OC(C)CCCCl 7a_200000718107_100011216346 [0,2,0,0,0,0|2,0,0]=4 15120 B13R0.120 CCOC(=O)C(F)OC(C)CCCCl 34a_200000718107_100000760018 [0,2,0,0,0,0|2,0,0]=4 15121 B13R0.120 CCOC(=O)C(F)OC(C)CCCCl 7a_200000718107_100000040065 [0,2,0,0,0,0|2,0,0]=4 15122 B13R0.120 CCOCC(C)OC(C)C(=O)OCC 34a_100000718985_100011216346 [0,2,0,0,0,0|2,0,0]=4 15123 B13R0.120 CCOCC(C)OC(C)C(=O)OCC 7a_100000718985_100011216346 [0,2,0,0,0,0|2,0,0]=4 15124 B13R0.120 CCOCC(C)OC(F)C(=O)OCC 34a_100000718985_100000760018 [0,2,0,0,0,0|2,0,0]=4 15125 B13R0.120 CCOCC(C)OC(F)C(=O)OCC 7a_100000718985_100000040065 [0,2,0,0,0,0|2,0,0]=4 15126 B13R0.176 C#CCCC(=O)CCC(C)CCCC 1458a_100000033779_100000753159 [0,2,0,0,0,0|1,0,1]=4 15127 B13R0.176 C#CCNC(=O)CCC(C)CCCC 11a_100000212058_100000033779 [0,2,0,0,0,0|1,0,1]=4 15128 B13R0.176 C#CCNC(=O)CCC(C)CCCC 1626a_100000212058_100000033779 [0,2,0,0,0,0|1,0,1]=4 15129 B13R0.176 C#CCNC(=O)CCC(C)CCCC 240690a_100000212058_100000033779 [0,2,0,0,0,0|1,0,1]=4 15130 B13R0.176 C#CCNC(=O)CCC(C)CCCC 527a_100000212058_100000033779 [0,2,0,0,0,0|1,0,1]=4 15131 B13R0.176 C/C=C/CC(=O)CCC(C)CCCC 1458a_100000033779_100102629194 [0,2,0,0,0,0|1,0,1]=4 15132 B13R0.176 C=C(COC(C)CCCC)OCOC 34a_100000687866_100000042856 [0,2,0,0,0,0|2,0,0]=4 15133 B13R0.176 C=C(CSC(C)CCCC)OCOC 62a_100000042856_200011215066 [0,2,0,0,0,0|2,0,0]=4 15134 B13R0.176 C=C(CSC(C)CCCC)OCOC 62a_200011215066_100000042856 [0,2,0,0,0,0|2,0,0]=4 15135 B13R0.176 C=CCCC(=O)CCC(C)CCCC 1458a_100000033779_100000754431 [0,2,0,0,0,0|1,0,1]=4 15136 B13R0.176 C=CCNC(=O)CCC(C)CCCC 1626a_100020586998_100000033779 [0,2,0,0,0,0|1,0,1]=4 15137 B13R0.176 C=CCNC(=O)CCC(C)CCCC 240690a_100020586998_100000033779 [0,2,0,0,0,0|1,0,1]=4 15138 B13R0.176 C=CCNC(=O)CCC(C)CCCC 527a_100020586998_100000033779 [0,2,0,0,0,0|1,0,1]=4 15139 B13R0.176 C=CCOC(=O)CNC(C)CCCC 2230a_100000126638_100000033060 [0,2,0,0,0,0|1,0,1]=4 15140 B13R0.176 C=CCOC(=O)COC(C)CCCC 34a_100000687866_100000033060 [0,2,0,0,0,0|1,0,1]=4 15141 B13R0.176 C=CCOC(=O)COC(C)CCCC 7a_100000687866_100000033060 [0,2,0,0,0,0|1,0,1]=4 15142 B13R0.176 C=CCOC(=O)CSC(C)CCCC 62a_100000033060_200011215066 [0,2,0,0,0,0|1,0,1]=4 15143 B13R0.176 C=CCOC(=O)CSC(C)CCCC 62a_200011215066_100000033060 [0,2,0,0,0,0|1,0,1]=4 15144 B13R0.176 CC#CCC(=O)CCC(C)CCCC 1458a_100000033779_100000748600 [0,2,0,0,0,0|1,0,1]=4 15145 B13R0.176 CC=CCC(=O)CCC(C)CCCC 1458a_100000033779_100000070051 [0,2,0,0,0,0|1,0,1]=4 15146 B13R0.176 CCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210211 [0,2,0,0,0,0|1,0,1]=4 15147 B13R0.176 CCCCC(=O)CCC(C)CCCC 1458a_100000033779_100000210211 [0,2,0,0,0,0|1,0,0]=3 15148 B13R0.176 CCCCC(=O)COC(=O)OCCC 1458a_100000210183_200000139673 [0,2,0,0,0,0|1,0,1]=4 15149 B13R0.176 CCCCC(C)CCC(=O)CCC#N 1458a_100000033779_100011215226 [0,2,0,0,0,0|1,0,1]=4 15150 B13R0.176 CCCCC(C)CCC(=O)CCCF 1458a_100000033779_100011934791 [0,2,0,0,0,0|1,0,0]=3 15151 B13R0.176 CCCCC(C)CCC(=O)CCCO 1458a_100000033779_100011215043 [0,2,0,0,0,0|1,0,0]=3 15152 B13R0.176 CCCCC(C)CCC(=O)CCOC 1458a_100000033779_100000233755 [0,2,0,0,0,0|1,0,0]=3 15153 B13R0.176 CCCCC(C)CCC(=O)CCSC 1458a_100000033779_100000751147 [0,2,0,0,0,0|1,0,0]=3 15154 B13R0.176 CCCCC(C)CCC(=O)NCC#N 1626a_100000734998_100000033779 [0,2,0,0,0,0|1,0,1]=4 15155 B13R0.176 CCCCC(C)CCC(=O)NCC#N 527a_100000734998_100000033779 [0,2,0,0,0,0|1,0,1]=4 15156 B13R0.176 CCCCC(C)CCC(=O)NCCC 11a_100020643023_100000033779 [0,2,0,0,0,0|1,0,0]=3 15157 B13R0.176 CCCCC(C)CCC(=O)NCCC 1626a_100020643023_100000033779 [0,2,0,0,0,0|1,0,0]=3 15158 B13R0.176 CCCCC(C)CCC(=O)NCCC 240690a_100020643023_100000033779 [0,2,0,0,0,0|1,0,0]=3 15159 B13R0.176 CCCCC(C)CCC(=O)NCCC 527a_100020643023_100000033779 [0,2,0,0,0,0|1,0,0]=3 15160 B13R0.176 CCCCC(C)CCC(=O)NCCF 11a_100000724931_100000033779 [0,2,0,0,0,0|1,0,0]=3 15161 B13R0.176 CCCCC(C)CCC(=O)NCCF 1626a_100000724931_100000033779 [0,2,0,0,0,0|1,0,0]=3 15162 B13R0.176 CCCCC(C)CCC(=O)NCCF 240690a_100000724931_100000033779 [0,2,0,0,0,0|1,0,0]=3 15163 B13R0.176 CCCCC(C)CCC(=O)NCCF 527a_100000724931_100000033779 [0,2,0,0,0,0|1,0,0]=3 15164 B13R0.176 CCCCC(C)CCC(=O)NCCO 240690a_100000210304_100000033779 [0,2,0,0,0,0|1,0,0]=3 15165 B13R0.176 CCCCC(C)CCC(=O)NCCO 527a_100000210304_100000033779 [0,2,0,0,0,0|1,0,0]=3 15166 B13R0.176 CCCCC(C)CCC(=O)NNCC 22a_100000756455_100000033779 [0,2,0,0,0,0|1,0,0]=3 15167 B13R0.176 CCCCC(C)NCC(=O)NCCC 2230a_100000126638_100000183358 [0,2,0,0,0,0|2,0,0]=4 15168 B13R0.176 CCCCC(C)NCC(=O)NCCC 2230a_100000174927_200011215066 [0,2,0,0,0,0|2,0,0]=4 15169 B13R0.176 CCCCC(C)NCC(=O)NCCC 270004a_100000174927_100000210087 [0,2,0,0,0,0|2,0,0]=4 15170 B13R0.176 CCCCC(C)NCC(=O)NCCF 2230a_100000725713_200011215066 [0,2,0,0,0,0|2,0,0]=4 15171 B13R0.176 CCCCC(C)NCC(=O)NCCF 270004a_100000725713_100000210087 [0,2,0,0,0,0|2,0,0]=4 15172 B13R0.176 CCCCC(C)NCC(=O)OCCC 2230a_100000126638_200011215008 [0,2,0,0,0,0|1,0,0]=3 15173 B13R0.176 CCCCC(C)OCC(=O)NCCC 34a_100000687866_100000183358 [0,2,0,0,0,0|2,0,0]=4 15174 B13R0.176 CCCCC(C)OCC(=O)NCCC 7a_100000687866_100000183358 [0,2,0,0,0,0|2,0,0]=4 15175 B13R0.176 CCCCC(C)OCC(=O)OCCC 34a_100000687866_200011215008 [0,2,0,0,0,0|1,0,0]=3 15176 B13R0.176 CCCCC(C)OCC(=O)OCCC 7a_100000687866_200011215008 [0,2,0,0,0,0|1,0,0]=3 15177 B13R0.176 CCCCC(C)SCC(=O)NCCC 62a_100000183358_200011215066 [0,2,0,0,0,0|2,0,0]=4 15178 B13R0.176 CCCCC(C)SCC(=O)NCCC 62a_200011215066_100000183358 [0,2,0,0,0,0|2,0,0]=4 15179 B13R0.176 CCCCC(C)SCC(=O)OCCC 62a_200011215008_200011215066 [0,2,0,0,0,0|1,0,0]=3 15180 B13R0.176 CCCCC(C)SCC(=O)OCCC 62a_200011215066_200011215008 [0,2,0,0,0,0|1,0,0]=3 15181 B13R0.176 CCCCN(C)COC(=O)OCCC 269982a_100000207549_200000139673 [0,2,0,0,0,0|2,0,0]=4 15182 B13R0.176 CCCOC(=O)COC(C)CCCCl 34a_200000718107_200011215008 [0,2,0,0,0,0|2,0,0]=4 15183 B13R0.176 CCCOC(=O)COC(C)CCCCl 7a_200000718107_200011215008 [0,2,0,0,0,0|2,0,0]=4 15184 B13R0.176 CCCOC(=O)COC(C)COCC 34a_100000718985_200011215008 [0,2,0,0,0,0|2,0,0]=4 15185 B13R0.176 CCCOC(=O)COC(C)COCC 7a_100000718985_200011215008 [0,2,0,0,0,0|2,0,0]=4 15186 B13R0.176 CCCOC(C)CNC(=O)COCC 11a_100015185124_100000211967 [0,2,0,0,0,0|2,0,0]=4 15187 B13R0.176 CCCOC(C)CNC(=O)COCC 1626a_100015185124_100000211967 [0,2,0,0,0,0|2,0,0]=4 15188 B13R0.176 CCCOC(C)CNC(=O)COCC 240690a_100015185124_100000211967 [0,2,0,0,0,0|2,0,0]=4 15189 B13R0.176 CCCOC(C)CNC(=O)COCC 527a_100015185124_100000211967 [0,2,0,0,0,0|2,0,0]=4 15190 B13R0.176 CCOCC(=O)NCC(O)COCC 240690a_102515437182_100000211967 [0,2,0,0,0,0|2,0,0]=4 15191 B13R0.176 CCOCC(=O)NCC(O)COCC 527a_102515437182_100000211967 [0,2,0,0,0,0|2,0,0]=4 15192 B13R0.176 CCOCC(=O)NC[C@H](C)CCCO 240690a_100160569302_100000211967 [0,2,0,0,0,0|2,0,0]=4 15193 B13R0.176 CCOCC(=O)NC[C@H](C)CCCO 527a_100160569302_100000211967 [0,2,0,0,0,0|2,0,0]=4 15194 B13R0.305 C#CC(CCCC)OCC(=O)CCC 7a_200011217967_100000747444 [0,2,0,0,0,0|2,0,0]=4 15195 B13R0.305 C#CC(CCCC)OCC(=O)NCC 34a_200011217967_100000183381 [0,2,0,0,0,0|2,0,0]=4 15196 B13R0.305 C#CC(CCCC)OCC(=O)NCC 7a_200011217967_100000183381 [0,2,0,0,0,0|2,0,0]=4 15197 B13R0.305 C#CC(CCCC)OCC(=O)OCC 34a_200011217967_100000188475 [0,2,0,0,0,0|1,0,0]=3 15198 B13R0.305 C#CC(CCCC)OCC(=O)OCC 7a_200011217967_100000188475 [0,2,0,0,0,0|1,0,0]=3 15199 B13R0.305 C=CC(CCCC)OCC(=O)CCC 7a_200011215037_100000747444 [0,2,0,0,0,0|2,0,0]=4 15200 B13R0.305 C=CC(CCCC)OCC(=O)NCC 34a_200011215037_100000183381 [0,2,0,0,0,0|2,0,0]=4 15201 B13R0.305 C=CC(CCCC)OCC(=O)NCC 7a_200011215037_100000183381 [0,2,0,0,0,0|2,0,0]=4 15202 B13R0.305 C=CC(CCCC)OCC(=O)OCC 34a_200011215037_100000188475 [0,2,0,0,0,0|1,0,0]=3 15203 B13R0.305 C=CC(CCCC)OCC(=O)OCC 7a_200011215037_100000188475 [0,2,0,0,0,0|1,0,0]=3 15204 B13R0.305 CCCCC(CC)CCC(=O)CCC 1458a_100011216959_100000210303 [0,2,0,0,0,0|1,0,0]=3 15205 B13R0.305 CCCCC(CC)CCC(=O)CCF 1458a_100011216959_100011217306 [0,2,0,0,0,0|2,0,0]=4 15206 B13R0.305 CCCCC(CC)CCC(=O)CCO 1458a_100011216959_100000211926 [0,2,0,0,0,0|2,0,0]=4 15207 B13R0.305 CCCCC(CC)CCC(=O)NCC 11a_100015525214_100011216959 [0,2,0,0,0,0|1,0,0]=3 15208 B13R0.305 CCCCC(CC)CCC(=O)NCC 240690a_100015525214_100011216959 [0,2,0,0,0,0|1,0,0]=3 15209 B13R0.305 CCCCC(CC)CCC(=O)NCC 527a_100015525214_100011216959 [0,2,0,0,0,0|1,0,0]=3 15210 B13R0.305 CCCCC(CC)CCC(=O)NNC 22a_100016993582_100011216959 [0,2,0,0,0,0|2,0,0]=4 15211 B13R0.305 CCCCC(CC)CNC(=O)CCC 11a_100000209976_100000211992 [0,2,0,0,0,0|2,0,0]=4 15212 B13R0.305 CCCCC(CC)CNC(=O)CCC 1626a_100000209976_100000211992 [0,2,0,0,0,0|2,0,0]=4 15213 B13R0.305 CCCCC(CC)CNC(=O)CCC 240690a_100000209976_100000211992 [0,2,0,0,0,0|2,0,0]=4 15214 B13R0.305 CCCCC(CC)CNC(=O)CCC 527a_100000209976_100000211992 [0,2,0,0,0,0|2,0,0]=4 15215 B13R0.305 CCCCC(CC)CNC(=O)NCC 2708a_100000209976_100015525214 [0,2,0,0,0,0|2,0,0]=4 15216 B13R0.305 CCCCC(CC)CNC(=O)NCC 2708a_100015525214_100000209976 [0,2,0,0,0,0|2,0,0]=4 15217 B13R0.305 CCCCC(CC)CNC(=O)NCC 273464a_100000209976_100015525214 [0,2,0,0,0,0|2,0,0]=4 15218 B13R0.305 CCCCC(CC)CNC(=O)NCC 273464a_100015525214_100000209976 [0,2,0,0,0,0|2,0,0]=4 15219 B13R0.305 CCCCC(CC)CNC(=O)NCC 512a_100000209976_100015525214 [0,2,0,0,0,0|2,0,0]=4 15220 B13R0.305 CCCCC(CC)CNC(=O)NCC 512a_100015525214_100000209976 [0,2,0,0,0,0|2,0,0]=4 15221 B13R0.305 CCCCC(CC)NCC(=O)NCC 270004a_100016988866_100000753412 [0,2,0,0,0,0|2,0,0]=4 15222 B13R0.305 CCCCC(CC)OCC(=O)CCC 7a_100011215227_100000747444 [0,2,0,0,0,0|2,0,0]=4 15223 B13R0.305 CCCCC(CC)OCC(=O)NCC 34a_100011215227_100000183381 [0,2,0,0,0,0|2,0,0]=4 15224 B13R0.305 CCCCC(CC)OCC(=O)NCC 7a_100011215227_100000183381 [0,2,0,0,0,0|2,0,0]=4 15225 B13R0.305 CCCCC(CC)OCC(=O)OCC 34a_100011215227_100000188475 [0,2,0,0,0,0|1,0,0]=3 15226 B13R0.305 CCCCC(CC)OCC(=O)OCC 7a_100011215227_100000188475 [0,2,0,0,0,0|1,0,0]=3 15227 B13R0.305 CCCCC(CC)SCC(=O)CCC 62a_100000747444_200011216223 [0,2,0,0,0,0|2,0,0]=4 15228 B13R0.305 CCCCC(CC)SCC(=O)CCC 62a_200011216223_100000747444 [0,2,0,0,0,0|2,0,0]=4 15229 B13R0.305 CCCCC(CC)SCC(=O)NCC 62a_100000183381_200011216223 [0,2,0,0,0,0|2,0,0]=4 15230 B13R0.305 CCCCC(CC)SCC(=O)NCC 62a_200011216223_100000183381 [0,2,0,0,0,0|2,0,0]=4 15231 B13R0.305 CCCCC(CC)SCC(=O)OCC 62a_100000188475_200011216223 [0,2,0,0,0,0|1,0,0]=3 15232 B13R0.305 CCCCC(CC)SCC(=O)OCC 62a_200011216223_100000188475 [0,2,0,0,0,0|1,0,0]=3 15233 B13R0.305 CCCCN(CC)CCC(=O)NCC 2230a_100000207695_100000737597 [0,2,0,0,0,0|2,0,0]=4 15234 B13R0.305 CCCCN(CC)CCC(=O)NCC 269982a_100000207695_100000737597 [0,2,0,0,0,0|2,0,0]=4 15235 B13R0.305 CCCCN(CC)CCC(=O)OCC 2230a_100000207695_100011206558 [0,2,0,0,0,0|1,0,0]=3 15236 B13R0.305 CCCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210211 [0,2,0,0,0,0|1,0,0]=3 15237 B13R0.305 CCCCN(CC)CCC(=O)OCC 269982a_100000207695_100011206558 [0,2,0,0,0,0|1,0,0]=3 15238 B13R0.305 CCCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210211 [0,2,0,0,0,0|1,0,0]=3 15239 B13R0.305 CCCC[C@@H](CO)NCC(=O)CCC 2230a_100011934283_100000747444 [0,2,0,0,0,0|2,0,0]=4 15240 B13R0.305 CCCC[C@@H](CO)NCC(=O)NCC 2230a_100011934283_100000183381 [0,2,0,0,0,0|2,0,0]=4 15241 B13R0.305 CCCC[C@@H](CO)NCC(=O)NCC 34a_100011934283_100000183381 [0,2,0,0,0,0|2,0,0]=4 15242 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC 2230a_100011934283_100000188475 [0,2,0,0,0,0|1,0,0]=3 15243 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC 34a_100011934283_100000188475 [0,2,0,0,0,0|1,0,0]=3 15244 B13R0.305 CCOC(=O)CCN(CC)CCCF 2230a_200011277716_100011934791 [0,2,0,0,0,0|2,0,0]=4 15245 B13R0.305 CCOC(=O)CCN(CC)CCCF 269982a_200011277716_100011934791 [0,2,0,0,0,0|2,0,0]=4 15246 B13R0.305 CCOC(=O)CCN(CC)CCCO 2230a_200011277716_100000230001 [0,2,0,0,0,0|2,0,0]=4 15247 B13R0.305 CCOC(=O)CCN(CC)CCCO 269982a_200011277716_100011215043 [0,2,0,0,0,0|2,0,0]=4 15248 B13R0.305 CCOC(=O)CCN(CC)CCOC 2230a_100000731262_100011206558 [0,2,0,0,0,0|2,0,0]=4 15249 B13R0.305 CCOC(=O)CCN(CC)CCOC 2230a_200011277716_100011201679 [0,2,0,0,0,0|2,0,0]=4 15250 B13R0.305 CCOC(=O)CCN(CC)CCOC 269982a_100000731262_100011206558 [0,2,0,0,0,0|2,0,0]=4 15251 B13R0.305 CCOC(=O)CCN(CC)CCOC 269982a_200011277716_100000233755 [0,2,0,0,0,0|2,0,0]=4 15252 B13R0.305 CCOC(=O)CCN(CC)CCSC 2230a_200011277716_100000751147 [0,2,0,0,0,0|2,0,0]=4 15253 B13R0.305 CCOC(=O)CCN(CC)CCSC 269982a_200011277716_100000212216 [0,2,0,0,0,0|2,0,0]=4 15254 B13R0.305 CCOC(=O)CN[C@H](CO)CCSC 2230a_100011827619_100000188475 [0,2,0,0,0,0|2,0,0]=4 15255 B13R0.305 CCOCC(CN)OCC(=O)OCC 34a_102515437182_100000188475 [0,2,0,0,0,0|2,0,0]=4 15256 B13R0.305 CCOCN(CC)CCC(=O)OCC 269982a_200011277716_100000739092 [0,2,0,0,0,0|2,0,0]=4 15257 B13R0.461 CCCCC(C)(C)OCC(=O)CCC 7a_100011219641_100000747444 [0,2,0,0,0,0|2,0,0]=4 15258 B13R0.461 CCCCC(C)(C)OCC(=O)NCC 7a_100011219641_100000183381 [0,2,0,0,0,0|2,0,0]=4 15259 B13R0.461 CCCCC(C)(C)OCC(=O)OCC 7a_100011219641_100000188475 [0,2,0,0,0,0|1,0,0]=3 15260 B13R0.461 CCOC(=O)COC(C)(C)CCCBr 7a_100009888830_100000188475 [0,2,0,0,0,0|2,0,0]=4 15261 B13R0.59 CCCCCCC(NC)C(=O)OCC 2230a_106832991635_200009813390 [0,2,0,0,0,0|0,0,0]=2 15262 B13R0.59 CCCCCCC(NC)C(=O)OCC 34a_100102657272_200009813390 [0,2,0,0,0,0|0,0,0]=2 15263 B13R0.59 CCCCCCC(NC)C(=O)OCC 7a_106832991635_200009813390 [0,2,0,0,0,0|0,0,0]=2 15264 B13R0.59 CCCCCCC(OC)C(=O)OCC 34a_100138415774_200009813390 [0,2,0,0,0,0|0,0,0]=2 15265 B13R0.59 CCCCCCC(SC)C(=O)OCC 62a_200000210301_200009813390 [0,2,0,0,0,0|0,0,0]=2 15266 B13R0.59 CCCCCCC(SC)C(=O)OCC 62a_200009813390_200000210301 [0,2,0,0,0,0|0,0,0]=2 15267 B13R0.59 CCCCCCC(S[13CH3])C(=O)OCC 62a_200009813390_200025704644 [0,2,0,0,0,0|0,0,0]=2 15268 B13R0.59 CCCCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813390 [0,2,0,0,0,0|0,0,0]=2 15269 B13R0.59 CCCCCNC(CC)C(=O)OCC 2230a_100000209983_100000212269 [0,2,0,0,0,0|1,0,0]=3 15270 B13R0.59 CCCCCOC(CC)C(=O)OCC 34a_100000210253_100000212269 [0,2,0,0,0,0|1,0,0]=3 15271 B13R0.59 CCCCCOC(CC)C(=O)OCC 34a_100011216719_100000718602 [0,2,0,0,0,0|1,0,0]=3 15272 B13R0.59 CCCCCOC(CC)C(=O)OCC 7a_100000210253_100000212269 [0,2,0,0,0,0|1,0,0]=3 15273 B13R0.59 CCCCCOC(CC)C(=O)OCC 7a_100011216719_100000210326 [0,2,0,0,0,0|1,0,0]=3 15274 B13R0.59 CCCCCOC(SC)C(=O)OCC 34a_100000210253_100009893047 [0,2,0,0,0,0|1,0,0]=3 15275 B13R0.59 CCCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210326 [0,2,0,0,0,0|1,0,0]=3 15276 B13R0.59 CCCCCSC(C=O)C(=O)OCC 62a_100000210326_100000053139 [0,2,0,0,0,0|1,0,0]=3 15277 B13R0.59 CCCCCSC(CC)C(=O)OCC 62a_100000210326_100000212269 [0,2,0,0,0,0|1,0,0]=3 15278 B13R0.59 CCCCCSC(CC)C(=O)OCC 62a_100000212269_100000210326 [0,2,0,0,0,0|1,0,0]=3 15279 B13R0.59 CCCCCSC(SC)C(=O)OCC 62a_100000210326_100009893047 [0,2,0,0,0,0|1,0,0]=3 15280 B13R0.59 CCCCCSC(SC)C(=O)OCC 62a_100009893047_100000210326 [0,2,0,0,0,0|1,0,0]=3 15281 B13R0.59 CCOC(=O)C(C=O)SCCCCF 62a_100000053139_100000729493 [0,2,0,0,0,0|2,0,0]=4 15282 B13R0.59 CCOC(=O)C(C=O)SCCCCF 62a_100000729493_100000053139 [0,2,0,0,0,0|2,0,0]=4 15283 B13R0.59 CCOC(=O)C(C=O)SCCCCO 62a_100000053139_100000210776 [0,2,0,0,0,0|2,0,0]=4 15284 B13R0.59 CCOC(=O)C(C=O)SCCCCO 62a_100000210776_100000053139 [0,2,0,0,0,0|2,0,0]=4 15285 B13R0.59 CCOC(=O)C(C=O)SCCCOC 62a_100000053139_100000709357 [0,2,0,0,0,0|2,0,0]=4 15286 B13R0.59 CCOC(=O)C(C=O)SCCCOC 62a_100000709357_100000053139 [0,2,0,0,0,0|2,0,0]=4 15287 B13R0.59 CCOC(=O)C(C=O)SCCSCC 62a_100000053139_100000757381 [0,2,0,0,0,0|2,0,0]=4 15288 B13R0.59 CCOC(=O)C(C=O)SCCSCC 62a_100000757381_100000053139 [0,2,0,0,0,0|2,0,0]=4 15289 B13R0.59 CCOC(=O)C(CC)NCCCCO 2230a_100000750430_100000212269 [0,2,0,0,0,0|2,0,0]=4 15290 B13R0.59 CCOC(=O)C(CC)NCCCCO 34a_100000750430_100000212269 [0,2,0,0,0,0|2,0,0]=4 15291 B13R0.59 CCOC(=O)C(CC)NCCCOC 34a_100150723488_100000212269 [0,2,0,0,0,0|2,0,0]=4 15292 B13R0.59 CCOC(=O)C(CC)NCCCSC 2230a_100000749238_100000212269 [0,2,0,0,0,0|2,0,0]=4 15293 B13R0.59 CCOC(=O)C(CC)NCCSCC 2230a_100000106463_100000212269 [0,2,0,0,0,0|2,0,0]=4 15294 B13R0.59 CCOC(=O)C(CC)OCCCCBr 34a_100011216708_100000212269 [0,2,0,0,0,0|2,0,0]=4 15295 B13R0.59 CCOC(=O)C(CC)OCCCCCl 34a_100000210776_100000212269 [0,2,0,0,0,0|2,0,0]=4 15296 B13R0.59 CCOC(=O)C(CC)OCCCCCl 7a_100000210776_100000212269 [0,2,0,0,0,0|2,0,0]=4 15297 B13R0.59 CCOC(=O)C(CC)OCCCCF 34a_100011216719_100000729493 [0,2,0,0,0,0|2,0,0]=4 15298 B13R0.59 CCOC(=O)C(CC)OCCCCF 34a_100011995726_100000212269 [0,2,0,0,0,0|2,0,0]=4 15299 B13R0.59 CCOC(=O)C(CC)OCCCCF 7a_100011216719_100000729493 [0,2,0,0,0,0|2,0,0]=4 15300 B13R0.59 CCOC(=O)C(CC)OCCCCF 7a_100011995726_100000212269 [0,2,0,0,0,0|2,0,0]=4 15301 B13R0.59 CCOC(=O)C(CC)OCCCCI 34a_200012148704_100000212269 [0,2,0,0,0,0|2,0,0]=4 15302 B13R0.59 CCOC(=O)C(CC)OCCCCN 34a_100000750430_100000212269 [0,2,0,0,0,0|2,0,0]=4 15303 B13R0.59 CCOC(=O)C(CC)OCCCCO 34a_100011216719_100011216708 [0,2,0,0,0,0|2,0,0]=4 15304 B13R0.59 CCOC(=O)C(CC)OCCCCO 7a_100011216719_100000210776 [0,2,0,0,0,0|2,0,0]=4 15305 B13R0.59 CCOC(=O)C(CC)OCCCNC 34a_100000213112_100000212269 [0,2,0,0,0,0|2,0,0]=4 15306 B13R0.59 CCOC(=O)C(CC)OCCCOC 34a_100000740835_100000212269 [0,2,0,0,0,0|2,0,0]=4 15307 B13R0.59 CCOC(=O)C(CC)OCCCOC 34a_100011216719_100000740836 [0,2,0,0,0,0|2,0,0]=4 15308 B13R0.59 CCOC(=O)C(CC)OCCCOC 7a_100011216719_100000740836 [0,2,0,0,0,0|2,0,0]=4 15309 B13R0.59 CCOC(=O)C(CC)OCCCSC 34a_100000690336_100000212269 [0,2,0,0,0,0|2,0,0]=4 15310 B13R0.59 CCOC(=O)C(CC)OCCCSC 7a_100000690336_100000212269 [0,2,0,0,0,0|2,0,0]=4 15311 B13R0.59 CCOC(=O)C(CC)OCCSCC 34a_100000212035_100000212269 [0,2,0,0,0,0|2,0,0]=4 15312 B13R0.59 CCOC(=O)C(CC)OCCSCC 34a_100011216719_100000757381 [0,2,0,0,0,0|2,0,0]=4 15313 B13R0.59 CCOC(=O)C(CC)OCCSCC 7a_100000212035_100000212269 [0,2,0,0,0,0|2,0,0]=4 15314 B13R0.59 CCOC(=O)C(CC)OCCSCC 7a_100011216719_100000757381 [0,2,0,0,0,0|2,0,0]=4 15315 B13R0.59 CCOC(=O)C(CC)SCCCCF 62a_100000212269_100000729493 [0,2,0,0,0,0|2,0,0]=4 15316 B13R0.59 CCOC(=O)C(CC)SCCCCF 62a_100000729493_100000212269 [0,2,0,0,0,0|2,0,0]=4 15317 B13R0.59 CCOC(=O)C(CC)SCCCCO 62a_100000210776_100000212269 [0,2,0,0,0,0|2,0,0]=4 15318 B13R0.59 CCOC(=O)C(CC)SCCCCO 62a_100000212269_100000210776 [0,2,0,0,0,0|2,0,0]=4 15319 B13R0.59 CCOC(=O)C(CC)SCCCOC 62a_100000212269_100000709357 [0,2,0,0,0,0|2,0,0]=4 15320 B13R0.59 CCOC(=O)C(CC)SCCCOC 62a_100000709357_100000212269 [0,2,0,0,0,0|2,0,0]=4 15321 B13R0.59 CCOC(=O)C(CC)SCCSCC 62a_100000212269_100000757381 [0,2,0,0,0,0|2,0,0]=4 15322 B13R0.59 CCOC(=O)C(CC)SCCSCC 62a_100000757381_100000212269 [0,2,0,0,0,0|2,0,0]=4 15323 B13R0.59 CCOC(=O)C(NCCCCO)SC 34a_100000750430_100009893047 [0,2,0,0,0,0|2,0,0]=4 15324 B13R0.59 CCOC(=O)C(NCCCOC)SC 34a_100150723488_100009893047 [0,2,0,0,0,0|2,0,0]=4 15325 B13R0.59 CCOC(=O)C(OCCCCBr)SC 34a_100011216708_100009893047 [0,2,0,0,0,0|2,0,0]=4 15326 B13R0.59 CCOC(=O)C(OCCCCCl)SC 34a_100000210776_100009893047 [0,2,0,0,0,0|2,0,0]=4 15327 B13R0.59 CCOC(=O)C(OCCCCF)SC 34a_100011995726_100009893047 [0,2,0,0,0,0|2,0,0]=4 15328 B13R0.59 CCOC(=O)C(OCCCCI)SC 34a_200012148704_100009893047 [0,2,0,0,0,0|2,0,0]=4 15329 B13R0.59 CCOC(=O)C(OCCCCN)SC 34a_100000750430_100009893047 [0,2,0,0,0,0|2,0,0]=4 15330 B13R0.59 CCOC(=O)C(OCCCNC)SC 34a_100000213112_100009893047 [0,2,0,0,0,0|2,0,0]=4 15331 B13R0.59 CCOC(=O)C(OCCCOC)SC 34a_100000740835_100009893047 [0,2,0,0,0,0|2,0,0]=4 15332 B13R0.59 CCOC(=O)C(OCCCSC)SC 34a_100000690336_100009893047 [0,2,0,0,0,0|2,0,0]=4 15333 B13R0.59 CCOC(=O)C(OCCSCC)SC 34a_100000212035_100009893047 [0,2,0,0,0,0|2,0,0]=4 15334 B13R0.59 CCOC(=O)C(SC)SCCCCF 62a_100000729493_100009893047 [0,2,0,0,0,0|2,0,0]=4 15335 B13R0.59 CCOC(=O)C(SC)SCCCCF 62a_100009893047_100000729493 [0,2,0,0,0,0|2,0,0]=4 15336 B13R0.59 CCOC(=O)C(SC)SCCCCO 62a_100000210776_100009893047 [0,2,0,0,0,0|2,0,0]=4 15337 B13R0.59 CCOC(=O)C(SC)SCCCCO 62a_100009893047_100000210776 [0,2,0,0,0,0|2,0,0]=4 15338 B13R0.59 CCOC(=O)C(SC)SCCCOC 62a_100000709357_100009893047 [0,2,0,0,0,0|2,0,0]=4 15339 B13R0.59 CCOC(=O)C(SC)SCCCOC 62a_100009893047_100000709357 [0,2,0,0,0,0|2,0,0]=4 15340 B13R0.59 CCOC(=O)C(SC)SCCSCC 62a_100000757381_100009893047 [0,2,0,0,0,0|2,0,0]=4 15341 B13R0.59 CCOC(=O)C(SC)SCCSCC 62a_100009893047_100000757381 [0,2,0,0,0,0|2,0,0]=4 15342 B13R0.59 CCOCCNC(CC)C(=O)OCC 2230a_102516460346_100000212269 [0,2,0,0,0,0|2,0,0]=4 15343 B13R0.59 CCOCCNC(CC)C(=O)OCC 34a_102516460346_100000212269 [0,2,0,0,0,0|2,0,0]=4 15344 B13R0.59 CCOCCNC(SC)C(=O)OCC 34a_102516460346_100009893047 [0,2,0,0,0,0|2,0,0]=4 15345 B13R0.59 CCOCCOC(CC)C(=O)OCC 34a_100000210136_100000212269 [0,2,0,0,0,0|2,0,0]=4 15346 B13R0.59 CCOCCOC(CC)C(=O)OCC 34a_100011216719_100000210147 [0,2,0,0,0,0|2,0,0]=4 15347 B13R0.59 CCOCCOC(CC)C(=O)OCC 7a_100000210136_100000212269 [0,2,0,0,0,0|2,0,0]=4 15348 B13R0.59 CCOCCOC(CC)C(=O)OCC 7a_100011216719_100011215890 [0,2,0,0,0,0|2,0,0]=4 15349 B13R0.59 CCOCCOC(SC)C(=O)OCC 34a_100000210136_100009893047 [0,2,0,0,0,0|2,0,0]=4 15350 B13R0.59 CCOCCSC(C=O)C(=O)OCC 62a_100000053139_100011215890 [0,2,0,0,0,0|2,0,0]=4 15351 B13R0.59 CCOCCSC(C=O)C(=O)OCC 62a_100000210147_100000053139 [0,2,0,0,0,0|2,0,0]=4 15352 B13R0.59 CCOCCSC(CC)C(=O)OCC 62a_100000210147_100000212269 [0,2,0,0,0,0|2,0,0]=4 15353 B13R0.59 CCOCCSC(CC)C(=O)OCC 62a_100000212269_100011215890 [0,2,0,0,0,0|2,0,0]=4 15354 B13R0.59 CCOCCSC(SC)C(=O)OCC 62a_100000210147_100009893047 [0,2,0,0,0,0|2,0,0]=4 15355 B13R0.59 CCOCCSC(SC)C(=O)OCC 62a_100009893047_100011215890 [0,2,0,0,0,0|2,0,0]=4 15356 B13R0.261 C=C(COCCC(C)Br)C(=O)OCC 34a_100009893172_100000755967 [0,2,0,0,0,0|1,0,1]=4 15357 B13R0.261 C=C(COCCC(C)C)C(=O)OCC 34a_100000210254_100000755967 [0,2,0,0,0,0|1,0,1]=4 15358 B13R0.261 C=C(COCCC(C)C)C(=O)OCC 7a_100000210254_100000755967 [0,2,0,0,0,0|1,0,1]=4 15359 B13R0.261 C=C(COCC[C@@H](C)N)C(=O)OCC 34a_100000706166_100000755967 [0,2,0,0,0,0|1,0,1]=4 15360 B13R0.261 C=C(CSCCC(C)C)C(=O)OCC 62a_100000210312_100000755967 [0,2,0,0,0,0|1,0,1]=4 15361 B13R0.261 C=C(CSCCC(C)C)C(=O)OCC 62a_100000755967_100000210312 [0,2,0,0,0,0|1,0,1]=4 15362 B13R0.261 C=C(CSCCC(C)O)C(=O)OCC 62a_100000755967_100012276601 [0,2,0,0,0,0|1,0,1]=4 15363 B13R0.261 C=C(CSCCC(C)O)C(=O)OCC 62a_100012276601_100000755967 [0,2,0,0,0,0|1,0,1]=4 15364 B13R0.261 CCNC(=O)C(=O)CCCCC(C)C 1458a_200011297158_100011216152 [0,2,0,0,0,0|1,0,1]=4 15365 B13R0.261 CCNC(=O)C(C)NCCCC(C)C 2230a_100000736553_100011214892 [0,2,0,0,0,0|2,0,0]=4 15366 B13R0.261 CCNC(=O)C(C)NCCCC(C)C 2230a_200000737386_100000230173 [0,2,0,0,0,0|2,0,0]=4 15367 B13R0.261 CCNC(=O)C(C)NCCCC(C)C 34a_100000736553_100011214892 [0,2,0,0,0,0|2,0,0]=4 15368 B13R0.261 CCNC(=O)C(C)NCCCC(C)C 34a_200000737386_100000230173 [0,2,0,0,0,0|2,0,0]=4 15369 B13R0.261 CCNC(=O)C(C)NCCCC(C)O 2230a_100000736553_200000718107 [0,2,0,0,0,0|2,0,0]=4 15370 B13R0.261 CCNC(=O)C(C)NCCCC(C)O 34a_100000736553_200000718107 [0,2,0,0,0,0|2,0,0]=4 15371 B13R0.261 CCNC(=O)C(C)OCCCC(C)C 34a_100000210774_100000230173 [0,2,0,0,0,0|2,0,0]=4 15372 B13R0.261 CCNC(=O)C(C)OCCCC(C)C 7a_100000210774_100000230173 [0,2,0,0,0,0|2,0,0]=4 15373 B13R0.261 CCNC(=O)C(C)SCCCC(C)C 62a_100000230173_100011214892 [0,2,0,0,0,0|2,0,0]=4 15374 B13R0.261 CCNC(=O)C(C)SCCCC(C)C 62a_100011214892_100000230173 [0,2,0,0,0,0|2,0,0]=4 15375 B13R0.261 CCNC(=O)C(C)SCCCC(C)O 62a_100000230173_200000718107 [0,2,0,0,0,0|2,0,0]=4 15376 B13R0.261 CCNC(=O)C(C)SCCCC(C)O 62a_200000718107_100000230173 [0,2,0,0,0,0|2,0,0]=4 15377 B13R0.261 CCOC(=O)C(=O)CSCCC(C)C 62a_100000210312_100000211299 [0,2,0,0,0,0|1,0,1]=4 15378 B13R0.261 CCOC(=O)C(=O)CSCCC(C)C 62a_100000211299_100000210312 [0,2,0,0,0,0|1,0,1]=4 15379 B13R0.261 CCOC(=O)C(=O)CSCCC(C)O 62a_100000211299_100012276601 [0,2,0,0,0,0|1,0,1]=4 15380 B13R0.261 CCOC(=O)C(=O)CSCCC(C)O 62a_100012276601_100000211299 [0,2,0,0,0,0|1,0,1]=4 15381 B13R0.261 CCOC(=O)C(=O)NCCCC(C)C 11a_200000737386_100014798877 [0,2,0,0,0,0|1,0,1]=4 15382 B13R0.261 CCOC(=O)C(=O)NCCCC(C)C 1626a_200000737386_100014798877 [0,2,0,0,0,0|1,0,1]=4 15383 B13R0.261 CCOC(=O)C(=O)NCCCC(C)C 240690a_200000737386_100014798877 [0,2,0,0,0,0|1,0,1]=4 15384 B13R0.261 CCOC(=O)C(C)NCCCC(C)C 2230a_200000737386_100011215307 [0,2,0,0,0,0|1,0,0]=3 15385 B13R0.261 CCOC(=O)C(C)NCCCC(C)C 34a_200000737386_100011216346 [0,2,0,0,0,0|1,0,0]=3 15386 B13R0.261 CCOC(=O)C(C)NCCCS(=O)C 2230a_200000753449_100011215307 [0,2,0,0,0,0|2,0,0]=4 15387 B13R0.261 CCOC(=O)C(C)NCCOC(C)C 2230a_100000701111_100011215307 [0,2,0,0,0,0|2,0,0]=4 15388 B13R0.261 CCOC(=O)C(C)NCCOC(C)C 34a_100000701111_100011216346 [0,2,0,0,0,0|2,0,0]=4 15389 B13R0.261 CCOC(=O)C(C)NCCSC(C)C 2230a_100000731138_100011215307 [0,2,0,0,0,0|2,0,0]=4 15390 B13R0.261 CCOC(=O)C(C)NCCSC(C)C 34a_100000731138_100011216346 [0,2,0,0,0,0|2,0,0]=4 15391 B13R0.261 CCOC(=O)C(C)OCCCC(=O)C 34a_100000759063_100011216346 [0,2,0,0,0,0|1,0,1]=4 15392 B13R0.261 CCOC(=O)C(C)OCCCC(=O)C 7a_100000759063_100011216346 [0,2,0,0,0,0|1,0,1]=4 15393 B13R0.261 CCOC(=O)C(C)OCCCC(C)C 34a_100000210774_100011216346 [0,2,0,0,0,0|1,0,0]=3 15394 B13R0.261 CCOC(=O)C(C)OCCCC(C)C 7a_100000210774_100011216346 [0,2,0,0,0,0|1,0,0]=3 15395 B13R0.261 CCOC(=O)C(C)OCCNC(C)C 34a_100000224655_100011216346 [0,2,0,0,0,0|2,0,0]=4 15396 B13R0.261 CCOC(=O)C(C)OCCOC(C)C 34a_100000211219_100011216346 [0,2,0,0,0,0|2,0,0]=4 15397 B13R0.261 CCOC(=O)C(C)OCCOC(C)C 7a_100000211219_100011216346 [0,2,0,0,0,0|2,0,0]=4 15398 B13R0.261 CCOC(=O)C(C)OCCSC(C)C 34a_200011212901_100011216346 [0,2,0,0,0,0|2,0,0]=4 15399 B13R0.261 CCOC(=O)C(C)OCCSC(C)C 7a_200011212901_100011216346 [0,2,0,0,0,0|2,0,0]=4 15400 B13R0.261 CCOC(=O)C(C)SCCCC(=O)C 62a_100011215641_100011216346 [0,2,0,0,0,0|1,0,1]=4 15401 B13R0.261 CCOC(=O)C(C)SCCCC(=O)C 62a_100011216346_100011215641 [0,2,0,0,0,0|1,0,1]=4 15402 B13R0.261 CCOC(=O)C(C)SCCCC(C)C 62a_100011214892_100011216346 [0,2,0,0,0,0|1,0,0]=3 15403 B13R0.261 CCOC(=O)C(C)SCCCC(C)C 62a_100011216346_100011214892 [0,2,0,0,0,0|1,0,0]=3 15404 B13R0.261 CCOC(=O)C(C)SCCCC(C)O 62a_100011216346_200000718107 [0,2,0,0,0,0|1,0,0]=3 15405 B13R0.261 CCOC(=O)C(C)SCCCC(C)O 62a_200000718107_100011216346 [0,2,0,0,0,0|1,0,0]=3 15406 B13R0.261 CCOC(=O)C(C)SCCCN(C)C 62a_100011216346_100000757444 [0,2,0,0,0,0|2,0,0]=4 15407 B13R0.261 CCOC(=O)C(C)SCCOC(C)C 62a_100000211751_100011216346 [0,2,0,0,0,0|2,0,0]=4 15408 B13R0.261 CCOC(=O)C(C)SCCOC(C)C 62a_100011216346_100000211751 [0,2,0,0,0,0|2,0,0]=4 15409 B13R0.261 CCOC(=O)C(C)SCCSC(C)C 62a_100000730970_100011216346 [0,2,0,0,0,0|2,0,0]=4 15410 B13R0.261 CCOC(=O)C(C)SCCSC(C)C 62a_100011216346_100000730970 [0,2,0,0,0,0|2,0,0]=4 15411 B13R0.261 CCOC(=O)C(F)NCCCC(C)C 2230a_200000737386_100000760018 [0,2,0,0,0,0|1,0,0]=3 15412 B13R0.261 CCOC(=O)C(F)NCCCC(C)C 34a_200000737386_100000760018 [0,2,0,0,0,0|1,0,0]=3 15413 B13R0.261 CCOC(=O)C(F)NCCCS(=O)C 2230a_200000753449_100000760018 [0,2,0,0,0,0|2,0,0]=4 15414 B13R0.261 CCOC(=O)C(F)NCCOC(C)C 2230a_100000701111_100000760018 [0,2,0,0,0,0|2,0,0]=4 15415 B13R0.261 CCOC(=O)C(F)NCCOC(C)C 34a_100000701111_100000760018 [0,2,0,0,0,0|2,0,0]=4 15416 B13R0.261 CCOC(=O)C(F)NCCSC(C)C 2230a_100000731138_100000760018 [0,2,0,0,0,0|2,0,0]=4 15417 B13R0.261 CCOC(=O)C(F)NCCSC(C)C 34a_100000731138_100000760018 [0,2,0,0,0,0|2,0,0]=4 15418 B13R0.261 CCOC(=O)C(F)OCCCC(=O)C 34a_100000759063_100000760018 [0,2,0,0,0,0|1,0,1]=4 15419 B13R0.261 CCOC(=O)C(F)OCCCC(=O)C 7a_100000759063_100000040065 [0,2,0,0,0,0|1,0,1]=4 15420 B13R0.261 CCOC(=O)C(F)OCCCC(C)C 34a_100000210774_100000760018 [0,2,0,0,0,0|1,0,0]=3 15421 B13R0.261 CCOC(=O)C(F)OCCCC(C)C 7a_100000210774_100000040065 [0,2,0,0,0,0|1,0,0]=3 15422 B13R0.261 CCOC(=O)C(F)OCCNC(C)C 34a_100000224655_100000760018 [0,2,0,0,0,0|2,0,0]=4 15423 B13R0.261 CCOC(=O)C(F)OCCOC(C)C 34a_100000211219_100000760018 [0,2,0,0,0,0|2,0,0]=4 15424 B13R0.261 CCOC(=O)C(F)OCCOC(C)C 7a_100000211219_100000040065 [0,2,0,0,0,0|2,0,0]=4 15425 B13R0.261 CCOC(=O)C(F)OCCSC(C)C 34a_200011212901_100000760018 [0,2,0,0,0,0|2,0,0]=4 15426 B13R0.261 CCOC(=O)C(F)OCCSC(C)C 7a_200011212901_100000040065 [0,2,0,0,0,0|2,0,0]=4 15427 B13R0.261 CCOC(=O)C(F)SCCCC(=O)C 62a_100000760018_100011215641 [0,2,0,0,0,0|1,0,1]=4 15428 B13R0.261 CCOC(=O)C(F)SCCCC(=O)C 62a_100011215641_100000760018 [0,2,0,0,0,0|1,0,1]=4 15429 B13R0.261 CCOC(=O)C(F)SCCCC(C)C 62a_100000760018_100011214892 [0,2,0,0,0,0|1,0,0]=3 15430 B13R0.261 CCOC(=O)C(F)SCCCC(C)C 62a_100011214892_100000760018 [0,2,0,0,0,0|1,0,0]=3 15431 B13R0.261 CCOC(=O)C(F)SCCCC(C)O 62a_100000760018_200000718107 [0,2,0,0,0,0|1,0,0]=3 15432 B13R0.261 CCOC(=O)C(F)SCCCC(C)O 62a_200000718107_100000760018 [0,2,0,0,0,0|1,0,0]=3 15433 B13R0.261 CCOC(=O)C(F)SCCCN(C)C 62a_100000760018_100000757444 [0,2,0,0,0,0|2,0,0]=4 15434 B13R0.261 CCOC(=O)C(F)SCCOC(C)C 62a_100000211751_100000760018 [0,2,0,0,0,0|2,0,0]=4 15435 B13R0.261 CCOC(=O)C(F)SCCOC(C)C 62a_100000760018_100000211751 [0,2,0,0,0,0|2,0,0]=4 15436 B13R0.261 CCOC(=O)C(F)SCCSC(C)C 62a_100000730970_100000760018 [0,2,0,0,0,0|2,0,0]=4 15437 B13R0.261 CCOC(=O)C(F)SCCSC(C)C 62a_100000760018_100000730970 [0,2,0,0,0,0|2,0,0]=4 15438 B13R0.261 CCOC(=O)[C@H](C)OCCCC(=O)C 7a_100000751109_100011215641 [0,2,0,0,0,0|1,0,1]=4 15439 B13R0.261 CCOC(=O)[C@H](C)OCCCC(C)C 7a_100000751109_100011214892 [0,2,0,0,0,0|1,0,0]=3 15440 B13R0.261 CCOC(=O)[C@H](C)OCCCC(C)O 7a_100000751109_200000718107 [0,2,0,0,0,0|1,0,0]=3 15441 B13R0.261 CCOC(=O)[C@H](C)OCCCN(C)C 7a_100000751109_100000757444 [0,2,0,0,0,0|2,0,0]=4 15442 B13R0.261 CCOC(=O)[C@H](C)OCCOC(C)C 7a_100000751109_100000211751 [0,2,0,0,0,0|2,0,0]=4 15443 B13R0.261 CCOC(=O)[C@H](C)OCCSC(C)C 7a_100000751109_100000730970 [0,2,0,0,0,0|2,0,0]=4 15444 B13R0.261 CCSC(=O)[C@H](C)NCCCC(C)C 2230a_100103168634_100011214892 [0,2,0,0,0,0|1,1,0]=4 15445 B13R0.261 CCSC(=O)[C@H](C)NCCCC(C)O 2230a_100103168634_200000718107 [0,2,0,0,0,0|1,1,0]=4 15446 B13R0.267 C=C(COC[C@@H](C)CC)C(=O)OCC 7a_100009816381_100000755967 [0,2,0,0,0,0|1,0,1]=4 15447 B13R0.267 C=C(CSCC(C)CC)C(=O)OCC 62a_100000748023_100000755967 [0,2,0,0,0,0|1,0,1]=4 15448 B13R0.267 C=C(CSCC(C)CC)C(=O)OCC 62a_100000755967_100000748023 [0,2,0,0,0,0|1,0,1]=4 15449 B13R0.267 C=C(CSCC(O)CC)C(=O)OCC 62a_100000755967_100011218378 [0,2,0,0,0,0|1,0,1]=4 15450 B13R0.267 C=C(CSCC(O)CC)C(=O)OCC 62a_100011218378_100000755967 [0,2,0,0,0,0|1,0,1]=4 15451 B13R0.267 C=C(CSC[C@@H](C)CC)C(=O)OCC 62a_100000755967_100009816398 [0,2,0,0,0,0|1,0,1]=4 15452 B13R0.267 C=C(CSC[C@@H](C)CC)C(=O)OCC 62a_100009816398_100000755967 [0,2,0,0,0,0|1,0,1]=4 15453 B13R0.267 CCNC(=O)C(C)NCCC(C)CC 2230a_100020591266_100000230173 [0,2,0,0,0,0|2,0,0]=4 15454 B13R0.267 CCNC(=O)C(C)OCCC(C)CC 7a_100011215188_100000230173 [0,2,0,0,0,0|2,0,0]=4 15455 B13R0.267 CCOC(=O)C(=O)CSCC(C)CC 62a_100000211299_100000748023 [0,2,0,0,0,0|1,0,1]=4 15456 B13R0.267 CCOC(=O)C(=O)CSCC(C)CC 62a_100000748023_100000211299 [0,2,0,0,0,0|1,0,1]=4 15457 B13R0.267 CCOC(=O)C(=O)CSCC(O)CC 62a_100000211299_100011218378 [0,2,0,0,0,0|1,0,1]=4 15458 B13R0.267 CCOC(=O)C(=O)CSCC(O)CC 62a_100011218378_100000211299 [0,2,0,0,0,0|1,0,1]=4 15459 B13R0.267 CCOC(=O)C(=O)CSC[C@@H](C)CC 62a_100000211299_100009816398 [0,2,0,0,0,0|1,0,1]=4 15460 B13R0.267 CCOC(=O)C(=O)CSC[C@@H](C)CC 62a_100009816398_100000211299 [0,2,0,0,0,0|1,0,1]=4 15461 B13R0.267 CCOC(=O)C(=O)NCCC(C)CC 11a_100020591266_100014798877 [0,2,0,0,0,0|1,0,1]=4 15462 B13R0.267 CCOC(=O)C(=O)NCCC(C)CC 1626a_100020591266_100014798877 [0,2,0,0,0,0|1,0,1]=4 15463 B13R0.267 CCOC(=O)C(=O)NCCC(C)CC 240690a_100020591266_100014798877 [0,2,0,0,0,0|1,0,1]=4 15464 B13R0.267 CCOC(=O)C(C)NCCC(C)CC 2230a_100020591266_100011215307 [0,2,0,0,0,0|1,0,0]=3 15465 B13R0.267 CCOC(=O)C(C)NCCC(C)CO 2230a_106354213184_100011215307 [0,2,0,0,0,0|2,0,0]=4 15466 B13R0.267 CCOC(=O)C(C)NCCC(C)CO 34a_106354213184_100011216346 [0,2,0,0,0,0|2,0,0]=4 15467 B13R0.267 CCOC(=O)C(C)OCCC(C)CC 7a_100011215188_100011216346 [0,2,0,0,0,0|1,0,0]=3 15468 B13R0.267 CCOC(=O)C(C)OCCC(C)OC 7a_100000764861_100011216346 [0,2,0,0,0,0|2,0,0]=4 15469 B13R0.267 CCOC(=O)C(F)NCCC(C)CC 2230a_100020591266_100000760018 [0,2,0,0,0,0|1,0,0]=3 15470 B13R0.267 CCOC(=O)C(F)NCCC(C)CO 2230a_106354213184_100000760018 [0,2,0,0,0,0|2,0,0]=4 15471 B13R0.267 CCOC(=O)C(F)NCCC(C)CO 34a_106354213184_100000760018 [0,2,0,0,0,0|2,0,0]=4 15472 B13R0.267 CCOC(=O)C(F)OCCC(C)CC 7a_100011215188_100000040065 [0,2,0,0,0,0|1,0,0]=3 15473 B13R0.267 CCOC(=O)C(F)OCCC(C)OC 7a_100000764861_100000040065 [0,2,0,0,0,0|2,0,0]=4 15474 B13R0.806 CCCCCCC(C)(C)C(=O)CCC 1458a_100011290782_100000210303 [0,2,0,0,0,0|1,0,0]=3 15475 B13R0.806 CCCCCCC(C)(C)C(=O)CCF 1458a_100011290782_100011217306 [0,2,0,0,0,0|2,0,0]=4 15476 B13R0.806 CCCCCCC(C)(C)C(=O)CCO 1458a_100011290782_100000211926 [0,2,0,0,0,0|2,0,0]=4 15477 B13R0.806 CCCCCCC(C)(C)C(=O)NCC 11a_100015525214_100011290782 [0,2,0,0,0,0|1,0,0]=3 15478 B13R0.806 CCCCCCC(C)(C)C(=O)NCC 240690a_100015525214_100011290782 [0,2,0,0,0,0|1,0,0]=3 15479 B13R0.806 CCCCCCC(C)(C)C(=O)NCC 527a_100015525214_100011290782 [0,2,0,0,0,0|1,0,0]=3 15480 B13R0.806 CCCCCCC(C)(C)C(=O)NNC 22a_100016993582_100011290782 [0,2,0,0,0,0|2,0,0]=4 15481 B13R0.806 CCCCCNC(C)(C)C(=O)OCC 2230a_100000209983_100011216345 [0,2,0,0,0,0|1,0,0]=3 15482 B13R0.806 CCCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000718602 [0,2,0,0,0,0|1,0,0]=3 15483 B13R0.806 CCCCCOC(C)(C)C(=O)OCC 7a_100000210253_100011216345 [0,2,0,0,0,0|1,0,0]=3 15484 B13R0.806 CCCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210326 [0,2,0,0,0,0|1,0,0]=3 15485 B13R0.806 CCCCCOC(F)(F)C(=O)OCC 34a_100000210253_100000210910 [0,2,0,0,0,0|1,0,0]=3 15486 B13R0.806 CCCCCOC(F)(F)C(=O)OCC 7a_100000210253_100000210910 [0,2,0,0,0,0|1,0,0]=3 15487 B13R0.806 CCCCCSC(C)(C)C(=O)OCC 62a_100000210326_100011216345 [0,2,0,0,0,0|1,0,0]=3 15488 B13R0.806 CCCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210326 [0,2,0,0,0,0|1,0,0]=3 15489 B13R0.806 CCCCCSC(F)(F)C(=O)OCC 62a_100000210326_100000210910 [0,2,0,0,0,0|1,0,0]=3 15490 B13R0.806 CCCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210326 [0,2,0,0,0,0|1,0,0]=3 15491 B13R0.806 CCCCNCC(C)(C)C(=O)OCC 2230a_100000102301_100011219049 [0,2,0,0,0,0|1,0,0]=3 15492 B13R0.806 CCCCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210211 [0,2,0,0,0,0|1,0,0]=3 15493 B13R0.806 CCCCOCC(F)(F)C(=O)OCC 34a_100000210227_100009817193 [0,2,0,0,0,0|1,0,0]=3 15494 B13R0.806 CCCCSCC(C)(C)C(=O)NCC 62a_100000210211_100011895991 [0,2,0,0,0,0|2,0,0]=4 15495 B13R0.806 CCCCSCC(C)(C)C(=O)NCC 62a_100011895991_100000210210 [0,2,0,0,0,0|2,0,0]=4 15496 B13R0.806 CCCCSCC(C)(C)C(=O)OCC 62a_100000210211_100011219049 [0,2,0,0,0,0|1,0,0]=3 15497 B13R0.806 CCCCSCC(C)(C)C(=O)OCC 62a_100011219049_100000210210 [0,2,0,0,0,0|1,0,0]=3 15498 B13R0.806 CCCCSCC(F)(F)C(=O)OCC 62a_100000210211_100009817193 [0,2,0,0,0,0|1,0,0]=3 15499 B13R0.806 CCCCSCC(F)(F)C(=O)OCC 62a_100009817193_100000210210 [0,2,0,0,0,0|1,0,0]=3 15500 B13R0.806 CCOC(=O)C(C)(C)CCCCNC 2230a_106832991635_100010737182 [0,2,0,0,0,0|1,0,0]=3 15501 B13R0.806 CCOC(=O)C(C)(C)CCCCNC 34a_100102657272_100010737182 [0,2,0,0,0,0|1,0,0]=3 15502 B13R0.806 CCOC(=O)C(C)(C)CCCCNC 7a_106832991635_100010737182 [0,2,0,0,0,0|1,0,0]=3 15503 B13R0.806 CCOC(=O)C(C)(C)CCCCOC 34a_100138415774_100010737182 [0,2,0,0,0,0|1,0,0]=3 15504 B13R0.806 CCOC(=O)C(C)(C)CCCCSC 62a_100010737182_200000210301 [0,2,0,0,0,0|1,0,0]=3 15505 B13R0.806 CCOC(=O)C(C)(C)CCCCSC 62a_200000210301_100010737182 [0,2,0,0,0,0|1,0,0]=3 15506 B13R0.806 CCOC(=O)C(C)(C)CCCCS[13CH3] 62a_100010737182_200025704644 [0,2,0,0,0,0|1,0,0]=3 15507 B13R0.806 CCOC(=O)C(C)(C)CCCCS[13CH3] 62a_200025704644_100010737182 [0,2,0,0,0,0|1,0,0]=3 15508 B13R0.806 CCOC(=O)C(C)(C)CNCCCF 2230a_100015189416_100011219049 [0,2,0,0,0,0|2,0,0]=4 15509 B13R0.806 CCOC(=O)C(C)(C)CNCCOC 2230a_100000209980_100011219049 [0,2,0,0,0,0|2,0,0]=4 15510 B13R0.806 CCOC(=O)C(C)(C)CNCCSC 2230a_100020590264_100011219049 [0,2,0,0,0,0|2,0,0]=4 15511 B13R0.806 CCOC(=O)C(C)(C)COCCCF 7a_100011765865_100011934791 [0,2,0,0,0,0|2,0,0]=4 15512 B13R0.806 CCOC(=O)C(C)(C)COCCCO 7a_100011765865_100011215043 [0,2,0,0,0,0|2,0,0]=4 15513 B13R0.806 CCOC(=O)C(C)(C)COCCOC 7a_100011765865_100000233755 [0,2,0,0,0,0|2,0,0]=4 15514 B13R0.806 CCOC(=O)C(C)(C)COCCSC 7a_100011765865_100000212216 [0,2,0,0,0,0|2,0,0]=4 15515 B13R0.806 CCOC(=O)C(C)(C)CSCCCF 62a_100011219049_100011934791 [0,2,0,0,0,0|2,0,0]=4 15516 B13R0.806 CCOC(=O)C(C)(C)CSCCCF 62a_100011934791_100011219049 [0,2,0,0,0,0|2,0,0]=4 15517 B13R0.806 CCOC(=O)C(C)(C)CSCCCO 62a_100011215043_100011219049 [0,2,0,0,0,0|2,0,0]=4 15518 B13R0.806 CCOC(=O)C(C)(C)CSCCCO 62a_100011219049_100011215043 [0,2,0,0,0,0|2,0,0]=4 15519 B13R0.806 CCOC(=O)C(C)(C)CSCCOC 62a_100000233755_100011219049 [0,2,0,0,0,0|2,0,0]=4 15520 B13R0.806 CCOC(=O)C(C)(C)CSCCOC 62a_100011219049_100000233755 [0,2,0,0,0,0|2,0,0]=4 15521 B13R0.806 CCOC(=O)C(C)(C)CSCCSC 62a_100000212216_100011219049 [0,2,0,0,0,0|2,0,0]=4 15522 B13R0.806 CCOC(=O)C(C)(C)CSCCSC 62a_100011219049_100000751147 [0,2,0,0,0,0|2,0,0]=4 15523 B13R0.806 CCOC(=O)C(C)(C)NCCCCO 2230a_100000750430_100011216345 [0,2,0,0,0,0|2,0,0]=4 15524 B13R0.806 CCOC(=O)C(C)(C)NCCCSC 2230a_100000749238_100011216345 [0,2,0,0,0,0|2,0,0]=4 15525 B13R0.806 CCOC(=O)C(C)(C)NCCSCC 2230a_100000106463_100011216345 [0,2,0,0,0,0|2,0,0]=4 15526 B13R0.806 CCOC(=O)C(C)(C)OCCCCCl 7a_100000210776_100011216345 [0,2,0,0,0,0|2,0,0]=4 15527 B13R0.806 CCOC(=O)C(C)(C)OCCCCF 34a_100000686869_100000729493 [0,2,0,0,0,0|2,0,0]=4 15528 B13R0.806 CCOC(=O)C(C)(C)OCCCCF 7a_100000686869_100000729493 [0,2,0,0,0,0|2,0,0]=4 15529 B13R0.806 CCOC(=O)C(C)(C)OCCCCF 7a_100011995726_100011216345 [0,2,0,0,0,0|2,0,0]=4 15530 B13R0.806 CCOC(=O)C(C)(C)OCCCCO 34a_100000686869_100011216708 [0,2,0,0,0,0|2,0,0]=4 15531 B13R0.806 CCOC(=O)C(C)(C)OCCCCO 7a_100000686869_100000210776 [0,2,0,0,0,0|2,0,0]=4 15532 B13R0.806 CCOC(=O)C(C)(C)OCCCOC 34a_100000686869_100000740836 [0,2,0,0,0,0|2,0,0]=4 15533 B13R0.806 CCOC(=O)C(C)(C)OCCCOC 7a_100000686869_100000740836 [0,2,0,0,0,0|2,0,0]=4 15534 B13R0.806 CCOC(=O)C(C)(C)OCCCSC 7a_100000690336_100011216345 [0,2,0,0,0,0|2,0,0]=4 15535 B13R0.806 CCOC(=O)C(C)(C)OCCSCC 34a_100000686869_100000757381 [0,2,0,0,0,0|2,0,0]=4 15536 B13R0.806 CCOC(=O)C(C)(C)OCCSCC 7a_100000212035_100011216345 [0,2,0,0,0,0|2,0,0]=4 15537 B13R0.806 CCOC(=O)C(C)(C)OCCSCC 7a_100000686869_100000757381 [0,2,0,0,0,0|2,0,0]=4 15538 B13R0.806 CCOC(=O)C(C)(C)SCCCCF 62a_100000729493_100011216345 [0,2,0,0,0,0|2,0,0]=4 15539 B13R0.806 CCOC(=O)C(C)(C)SCCCCF 62a_100011216345_100000729493 [0,2,0,0,0,0|2,0,0]=4 15540 B13R0.806 CCOC(=O)C(C)(C)SCCCCO 62a_100000210776_100011216345 [0,2,0,0,0,0|2,0,0]=4 15541 B13R0.806 CCOC(=O)C(C)(C)SCCCCO 62a_100011216345_100000210776 [0,2,0,0,0,0|2,0,0]=4 15542 B13R0.806 CCOC(=O)C(C)(C)SCCCOC 62a_100000709357_100011216345 [0,2,0,0,0,0|2,0,0]=4 15543 B13R0.806 CCOC(=O)C(C)(C)SCCCOC 62a_100011216345_100000709357 [0,2,0,0,0,0|2,0,0]=4 15544 B13R0.806 CCOC(=O)C(C)(C)SCCSCC 62a_100000757381_100011216345 [0,2,0,0,0,0|2,0,0]=4 15545 B13R0.806 CCOC(=O)C(C)(C)SCCSCC 62a_100011216345_100000757381 [0,2,0,0,0,0|2,0,0]=4 15546 B13R0.806 CCOC(=O)C(F)(F)CNCCCF 34a_100015189416_100009817193 [0,2,0,0,0,0|2,0,0]=4 15547 B13R0.806 CCOC(=O)C(F)(F)COCCCBr 34a_100011217188_100009817193 [0,2,0,0,0,0|2,0,0]=4 15548 B13R0.806 CCOC(=O)C(F)(F)COCCCCl 34a_100000230001_100009817193 [0,2,0,0,0,0|2,0,0]=4 15549 B13R0.806 CCOC(=O)C(F)(F)COCCCF 34a_100000759539_100009817193 [0,2,0,0,0,0|2,0,0]=4 15550 B13R0.806 CCOC(=O)C(F)(F)COCCCN 34a_100000182051_100009817193 [0,2,0,0,0,0|2,0,0]=4 15551 B13R0.806 CCOC(=O)C(F)(F)COCCOC 34a_100000210237_100009817193 [0,2,0,0,0,0|2,0,0]=4 15552 B13R0.806 CCOC(=O)C(F)(F)COCCSC 34a_100000230434_100009817193 [0,2,0,0,0,0|2,0,0]=4 15553 B13R0.806 CCOC(=O)C(F)(F)CSCCCF 62a_100009817193_100011934791 [0,2,0,0,0,0|2,0,0]=4 15554 B13R0.806 CCOC(=O)C(F)(F)CSCCCF 62a_100011934791_100009817193 [0,2,0,0,0,0|2,0,0]=4 15555 B13R0.806 CCOC(=O)C(F)(F)CSCCCO 62a_100009817193_100011215043 [0,2,0,0,0,0|2,0,0]=4 15556 B13R0.806 CCOC(=O)C(F)(F)CSCCCO 62a_100011215043_100009817193 [0,2,0,0,0,0|2,0,0]=4 15557 B13R0.806 CCOC(=O)C(F)(F)CSCCOC 62a_100000233755_100009817193 [0,2,0,0,0,0|2,0,0]=4 15558 B13R0.806 CCOC(=O)C(F)(F)CSCCOC 62a_100009817193_100000233755 [0,2,0,0,0,0|2,0,0]=4 15559 B13R0.806 CCOC(=O)C(F)(F)CSCCSC 62a_100000212216_100009817193 [0,2,0,0,0,0|2,0,0]=4 15560 B13R0.806 CCOC(=O)C(F)(F)CSCCSC 62a_100009817193_100000751147 [0,2,0,0,0,0|2,0,0]=4 15561 B13R0.806 CCOC(=O)C(F)(F)NCCCCO 34a_100000750430_100000210910 [0,2,0,0,0,0|2,0,0]=4 15562 B13R0.806 CCOC(=O)C(F)(F)NCCCOC 34a_100150723488_100000210910 [0,2,0,0,0,0|2,0,0]=4 15563 B13R0.806 CCOC(=O)C(F)(F)OCCCCBr 34a_100011216708_100000210910 [0,2,0,0,0,0|2,0,0]=4 15564 B13R0.806 CCOC(=O)C(F)(F)OCCCCCl 34a_100000210776_100000210910 [0,2,0,0,0,0|2,0,0]=4 15565 B13R0.806 CCOC(=O)C(F)(F)OCCCCCl 7a_100000210776_100000210910 [0,2,0,0,0,0|2,0,0]=4 15566 B13R0.806 CCOC(=O)C(F)(F)OCCCCF 34a_100011995726_100000210910 [0,2,0,0,0,0|2,0,0]=4 15567 B13R0.806 CCOC(=O)C(F)(F)OCCCCF 7a_100011995726_100000210910 [0,2,0,0,0,0|2,0,0]=4 15568 B13R0.806 CCOC(=O)C(F)(F)OCCCCI 34a_200012148704_100000210910 [0,2,0,0,0,0|2,0,0]=4 15569 B13R0.806 CCOC(=O)C(F)(F)OCCCCN 34a_100000750430_100000210910 [0,2,0,0,0,0|2,0,0]=4 15570 B13R0.806 CCOC(=O)C(F)(F)OCCCNC 34a_100000213112_100000210910 [0,2,0,0,0,0|2,0,0]=4 15571 B13R0.806 CCOC(=O)C(F)(F)OCCCOC 34a_100000740835_100000210910 [0,2,0,0,0,0|2,0,0]=4 15572 B13R0.806 CCOC(=O)C(F)(F)OCCCSC 34a_100000690336_100000210910 [0,2,0,0,0,0|2,0,0]=4 15573 B13R0.806 CCOC(=O)C(F)(F)OCCCSC 7a_100000690336_100000210910 [0,2,0,0,0,0|2,0,0]=4 15574 B13R0.806 CCOC(=O)C(F)(F)OCCSCC 34a_100000212035_100000210910 [0,2,0,0,0,0|2,0,0]=4 15575 B13R0.806 CCOC(=O)C(F)(F)OCCSCC 7a_100000212035_100000210910 [0,2,0,0,0,0|2,0,0]=4 15576 B13R0.806 CCOC(=O)C(F)(F)SCCCCF 62a_100000210910_100000729493 [0,2,0,0,0,0|2,0,0]=4 15577 B13R0.806 CCOC(=O)C(F)(F)SCCCCF 62a_100000729493_100000210910 [0,2,0,0,0,0|2,0,0]=4 15578 B13R0.806 CCOC(=O)C(F)(F)SCCCCO 62a_100000210776_100000210910 [0,2,0,0,0,0|2,0,0]=4 15579 B13R0.806 CCOC(=O)C(F)(F)SCCCCO 62a_100000210910_100000210776 [0,2,0,0,0,0|2,0,0]=4 15580 B13R0.806 CCOC(=O)C(F)(F)SCCCOC 62a_100000210910_100000709357 [0,2,0,0,0,0|2,0,0]=4 15581 B13R0.806 CCOC(=O)C(F)(F)SCCCOC 62a_100000709357_100000210910 [0,2,0,0,0,0|2,0,0]=4 15582 B13R0.806 CCOC(=O)C(F)(F)SCCSCC 62a_100000210910_100000757381 [0,2,0,0,0,0|2,0,0]=4 15583 B13R0.806 CCOC(=O)C(F)(F)SCCSCC 62a_100000757381_100000210910 [0,2,0,0,0,0|2,0,0]=4 15584 B13R0.806 CCOCCNC(C)(C)C(=O)OCC 2230a_102516460346_100011216345 [0,2,0,0,0,0|2,0,0]=4 15585 B13R0.806 CCOCCNC(F)(F)C(=O)OCC 34a_102516460346_100000210910 [0,2,0,0,0,0|2,0,0]=4 15586 B13R0.806 CCOCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210147 [0,2,0,0,0,0|2,0,0]=4 15587 B13R0.806 CCOCCOC(C)(C)C(=O)OCC 7a_100000210136_100011216345 [0,2,0,0,0,0|2,0,0]=4 15588 B13R0.806 CCOCCOC(C)(C)C(=O)OCC 7a_100000686869_100011215890 [0,2,0,0,0,0|2,0,0]=4 15589 B13R0.806 CCOCCOC(F)(F)C(=O)OCC 34a_100000210136_100000210910 [0,2,0,0,0,0|2,0,0]=4 15590 B13R0.806 CCOCCOC(F)(F)C(=O)OCC 7a_100000210136_100000210910 [0,2,0,0,0,0|2,0,0]=4 15591 B13R0.806 CCOCCSC(C)(C)C(=O)OCC 62a_100000210147_100011216345 [0,2,0,0,0,0|2,0,0]=4 15592 B13R0.806 CCOCCSC(C)(C)C(=O)OCC 62a_100011216345_100011215890 [0,2,0,0,0,0|2,0,0]=4 15593 B13R0.806 CCOCCSC(F)(F)C(=O)OCC 62a_100000210147_100000210910 [0,2,0,0,0,0|2,0,0]=4 15594 B13R0.806 CCOCCSC(F)(F)C(=O)OCC 62a_100000210910_100011215890 [0,2,0,0,0,0|2,0,0]=4 15595 B13R0.806 CCOCSCC(C)(C)C(=O)OCC 62a_100000739092_100011219049 [0,2,0,0,0,0|2,0,0]=4 15596 B13R0.806 CCOCSCC(C)(C)C(=O)OCC 62a_100011219049_100000739092 [0,2,0,0,0,0|2,0,0]=4 15597 B13R0.806 CCOCSCC(F)(F)C(=O)OCC 62a_100000739092_100009817193 [0,2,0,0,0,0|2,0,0]=4 15598 B13R0.806 CCOCSCC(F)(F)C(=O)OCC 62a_100009817193_100000739092 [0,2,0,0,0,0|2,0,0]=4 15599 B13R0.1171 C#CCCC(=O)C(C)CCCCCC 1458a_100000692101_100011215978 [0,2,0,0,0,0|1,0,1]=4 15600 B13R0.1171 C#CCCC(=O)C(O)CCCCCC 1458a_100011215828_100000753159 [0,2,0,0,0,0|1,0,1]=4 15601 B13R0.1171 C#CCNC(=O)C(O)CCCCCC 240690a_100000212058_100011215828 [0,2,0,0,0,0|1,0,1]=4 15602 B13R0.1171 C/C=C/CC(=O)C(O)CCCCCC 1458a_100011215828_100102629194 [0,2,0,0,0,0|1,0,1]=4 15603 B13R0.1171 C=CCCC(=O)C(C)CCCCCC 1458a_100000749702_100011215978 [0,2,0,0,0,0|1,0,1]=4 15604 B13R0.1171 C=CCCC(=O)C(O)CCCCCC 1458a_100011215828_100000754431 [0,2,0,0,0,0|1,0,1]=4 15605 B13R0.1171 C=CCNC(=O)C(O)CCCCCC 240690a_100020586998_100011215828 [0,2,0,0,0,0|1,0,1]=4 15606 B13R0.1171 CC#CCC(=O)C(O)CCCCCC 1458a_100011215828_100000748600 [0,2,0,0,0,0|1,0,1]=4 15607 B13R0.1171 CC=CCC(=O)C(C)CCCCCC 1458a_100121576822_100011215978 [0,2,0,0,0,0|1,0,1]=4 15608 B13R0.1171 CC=CCC(=O)C(O)CCCCCC 1458a_100011215828_100000070051 [0,2,0,0,0,0|1,0,1]=4 15609 B13R0.1171 CCC#CC(=O)C(C)CCCCCC 1458a_100011827653_100011215978 [0,2,0,0,0,0|1,0,0]=3 15610 B13R0.1171 CCC=CC(=O)C(C)CCCCCC 1458a_100000212282_100011215978 [0,2,0,0,0,0|1,0,0]=3 15611 B13R0.1171 CCC=CC(=O)N(C)CCCCCC 11a_106256046315_100000212282 [0,2,0,0,0,0|2,0,0]=4 15612 B13R0.1171 CCC=CC(=O)N(C)CCCCCC 1626a_106256046315_100000212282 [0,2,0,0,0,0|2,0,0]=4 15613 B13R0.1171 CCC=CC(=O)N(C)CCCCCC 240690a_106256046315_100000212282 [0,2,0,0,0,0|2,0,0]=4 15614 B13R0.1171 CCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210757 [0,2,0,0,0,0|1,0,1]=4 15615 B13R0.1171 CCCCCCC(C)C(=O)C#CCO 1458a_100000049017_100011215978 [0,2,0,0,0,0|1,0,1]=4 15616 B13R0.1171 CCCCCCC(C)C(=O)C=COC 1458a_100016268678_100011215978 [0,2,0,0,0,0|1,0,1]=4 15617 B13R0.1171 CCCCCCC(C)C(=O)CCC#N 1458a_100011934036_100011215978 [0,2,0,0,0,0|1,0,1]=4 15618 B13R0.1171 CCCCCCC(C)C(=O)CCCC 1458a_100000210183_100011215978 [0,2,0,0,0,0|1,0,0]=3 15619 B13R0.1171 CCCCCCC(C)C(=O)CCOC 1458a_100000749529_100011215978 [0,2,0,0,0,0|1,0,0]=3 15620 B13R0.1171 CCCCCCC(C)C(=O)CCSC 1458a_100000174002_100011215978 [0,2,0,0,0,0|1,0,0]=3 15621 B13R0.1171 CCCCCCC(C)C(=O)COCC 1458a_100000211967_100011215978 [0,2,0,0,0,0|0,0,0]=2 15622 B13R0.1171 CCCCCCC(C)C(=O)CSCC 1458a_100000230394_100011215978 [0,2,0,0,0,0|0,1,0]=3 15623 B13R0.1171 CCCCCCC(O)C(=O)CCC#N 1458a_100011215828_100011215226 [0,2,0,0,0,0|1,0,1]=4 15624 B13R0.1171 CCCCCCC(O)C(=O)CCCC 1458a_100011215828_100000210211 [0,2,0,0,0,0|1,0,0]=3 15625 B13R0.1171 CCCCCCC(O)C(=O)CCCF 1458a_100011215828_100011934791 [0,2,0,0,0,0|1,0,0]=3 15626 B13R0.1171 CCCCCCC(O)C(=O)CCCO 1458a_100011215828_100011215043 [0,2,0,0,0,0|1,0,0]=3 15627 B13R0.1171 CCCCCCC(O)C(=O)CCOC 1458a_100011215828_100000233755 [0,2,0,0,0,0|1,0,0]=3 15628 B13R0.1171 CCCCCCC(O)C(=O)CCSC 1458a_100011215828_100000751147 [0,2,0,0,0,0|1,0,0]=3 15629 B13R0.1171 CCCCCCC(O)C(=O)NCCC 240690a_100020643023_100011215828 [0,2,0,0,0,0|1,0,0]=3 15630 B13R0.1171 CCCCCCC(O)C(=O)NCCF 240690a_100000724931_100011215828 [0,2,0,0,0,0|1,0,0]=3 15631 B13R0.1171 CCCCCCC(O)C(=O)NCCO 240690a_100000210304_100011215828 [0,2,0,0,0,0|1,0,0]=3 15632 B13R0.1171 CCCCCCC(O)C(=O)NNCC 22a_100000756455_100011215828 [0,2,0,0,0,0|1,0,0]=3 15633 B13R0.1171 CCCCCCN(C)C(=O)CCCC 11a_106256046315_100000210183 [0,2,0,0,0,0|2,0,0]=4 15634 B13R0.1171 CCCCCCN(C)C(=O)CCCC 1626a_106256046315_100000210183 [0,2,0,0,0,0|2,0,0]=4 15635 B13R0.1171 CCCCCCN(C)C(=O)CCCC 240690a_106256046315_100000210183 [0,2,0,0,0,0|2,0,0]=4 15636 B13R0.1171 CCCCCCN(C)C(=O)CCCC 527a_106256046315_100000210183 [0,2,0,0,0,0|2,0,0]=4 15637 B13R0.1171 CCCCCCN(C)C(=O)CCOC 11a_106256046315_100000749529 [0,2,0,0,0,0|2,0,0]=4 15638 B13R0.1171 CCCCCCN(C)C(=O)CCOC 1626a_106256046315_100000749529 [0,2,0,0,0,0|2,0,0]=4 15639 B13R0.1171 CCCCCCN(C)C(=O)CCOC 240690a_106256046315_100000749529 [0,2,0,0,0,0|2,0,0]=4 15640 B13R0.1171 CCCCCCN(C)C(=O)CCOC 527a_106256046315_100000749529 [0,2,0,0,0,0|2,0,0]=4 15641 B13R0.1171 CCCCCCN(C)C(=O)CCSC 11a_106256046315_100000174002 [0,2,0,0,0,0|2,0,0]=4 15642 B13R0.1171 CCCCCCN(C)C(=O)CCSC 1626a_106256046315_100000174002 [0,2,0,0,0,0|2,0,0]=4 15643 B13R0.1171 CCCCCCN(C)C(=O)CCSC 240690a_106256046315_100000174002 [0,2,0,0,0,0|2,0,0]=4 15644 B13R0.1171 CCCCCCN(C)C(=O)CCSC 527a_106256046315_100000174002 [0,2,0,0,0,0|2,0,0]=4 15645 B13R0.1171 CCCCCCN(C)C(=O)COCC 11a_106256046315_100000211967 [0,2,0,0,0,0|1,0,0]=3 15646 B13R0.1171 CCCCCCN(C)C(=O)COCC 1626a_106256046315_100000211967 [0,2,0,0,0,0|1,0,0]=3 15647 B13R0.1171 CCCCCCN(C)C(=O)COCC 240690a_106256046315_100000211967 [0,2,0,0,0,0|1,0,0]=3 15648 B13R0.1171 CCCCCCN(C)C(=O)COCC 527a_106256046315_100000211967 [0,2,0,0,0,0|1,0,0]=3 15649 B13R0.1171 CCCCCCN(C)C(=O)CSCC 11a_106256046315_100000230394 [0,2,0,0,0,0|1,1,0]=4 15650 B13R0.1171 CCCCCCN(C)C(=O)CSCC 1626a_106256046315_100000230394 [0,2,0,0,0,0|1,1,0]=4 15651 B13R0.1171 CCCCCCN(C)C(=O)CSCC 240690a_106256046315_100000230394 [0,2,0,0,0,0|1,1,0]=4 15652 B13R0.1171 CCCCCCN(C)C(=O)CSCC 527a_106256046315_100000230394 [0,2,0,0,0,0|1,1,0]=4 15653 B13R0.1171 CCCCCCN(C)C(=O)NCCC 2708a_100020643023_106256046315 [0,2,0,0,0,0|2,0,0]=4 15654 B13R0.1171 CCCCCCN(C)C(=O)NCCC 273464a_100020643023_106256046315 [0,2,0,0,0,0|2,0,0]=4 15655 B13R0.1171 CCCCCCN(C)C(=O)NCCF 273464a_100000724931_106256046315 [0,2,0,0,0,0|2,0,0]=4 15656 B13R0.1171 CCCCCCN(C)C(=O)NCCO 273464a_100000210304_106256046315 [0,2,0,0,0,0|2,0,0]=4 15657 B13R0.1171 CCCCCNC(C)C(=O)NCCC 2230a_100000209983_100000230305 [0,2,0,0,0,0|2,0,0]=4 15658 B13R0.1171 CCCCCNC(C)C(=O)NCCC 2230a_100025744714_100000210326 [0,2,0,0,0,0|2,0,0]=4 15659 B13R0.1171 CCCCCNC(C)C(=O)NCCC 34a_100025744714_100000718602 [0,2,0,0,0,0|2,0,0]=4 15660 B13R0.1171 CCCCCNC(C)C(=O)OCCC 2230a_100000209983_100000760410 [0,2,0,0,0,0|1,0,0]=3 15661 B13R0.1171 CCCCCOC(C)C(=O)NCCC 34a_100000210253_100000230305 [0,2,0,0,0,0|2,0,0]=4 15662 B13R0.1171 CCCCCOC(C)C(=O)NCCC 7a_100000210253_100000230305 [0,2,0,0,0,0|2,0,0]=4 15663 B13R0.1171 CCCCCOC(C)C(=O)OCCC 34a_100000037348_100000718602 [0,2,0,0,0,0|1,0,0]=3 15664 B13R0.1171 CCCCCOC(C)C(=O)OCCC 34a_100000210253_100000760410 [0,2,0,0,0,0|1,0,0]=3 15665 B13R0.1171 CCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210326 [0,2,0,0,0,0|1,0,0]=3 15666 B13R0.1171 CCCCCOC(C)C(=O)OCCC 7a_100000210253_100000760410 [0,2,0,0,0,0|1,0,0]=3 15667 B13R0.1171 CCCCCSC(C)C(=O)NCCC 62a_100000210326_100000230305 [0,2,0,0,0,0|2,0,0]=4 15668 B13R0.1171 CCCCCSC(C)C(=O)NCCC 62a_100000230305_100000210326 [0,2,0,0,0,0|2,0,0]=4 15669 B13R0.1171 CCCCCSC(C)C(=O)OCCC 62a_100000210326_100000760410 [0,2,0,0,0,0|1,0,0]=3 15670 B13R0.1171 CCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210326 [0,2,0,0,0,0|1,0,0]=3 15671 B13R0.1171 CCCOC(=O)C(C)NCCCCO 2230a_100000750430_100000760410 [0,2,0,0,0,0|2,0,0]=4 15672 B13R0.1171 CCCOC(=O)C(C)NCCCCO 34a_100000750430_100000760410 [0,2,0,0,0,0|2,0,0]=4 15673 B13R0.1171 CCCOC(=O)C(C)NCCCOC 34a_100150723488_100000760410 [0,2,0,0,0,0|2,0,0]=4 15674 B13R0.1171 CCCOC(=O)C(C)NCCCSC 2230a_100000749238_100000760410 [0,2,0,0,0,0|2,0,0]=4 15675 B13R0.1171 CCCOC(=O)C(C)NCCOCC 2230a_102516460346_100000760410 [0,2,0,0,0,0|2,0,0]=4 15676 B13R0.1171 CCCOC(=O)C(C)NCCOCC 34a_102516460346_100000760410 [0,2,0,0,0,0|2,0,0]=4 15677 B13R0.1171 CCCOC(=O)C(C)NCCSCC 2230a_100000106463_100000760410 [0,2,0,0,0,0|2,0,0]=4 15678 B13R0.1171 CCCOC(=O)C(C)OCCCCBr 34a_100011216708_100000760410 [0,2,0,0,0,0|2,0,0]=4 15679 B13R0.1171 CCCOC(=O)C(C)OCCCCCl 34a_100000210776_100000760410 [0,2,0,0,0,0|2,0,0]=4 15680 B13R0.1171 CCCOC(=O)C(C)OCCCCCl 7a_100000210776_100000760410 [0,2,0,0,0,0|2,0,0]=4 15681 B13R0.1171 CCCOC(=O)C(C)OCCCCF 34a_100000037348_100000729493 [0,2,0,0,0,0|2,0,0]=4 15682 B13R0.1171 CCCOC(=O)C(C)OCCCCF 34a_100011995726_100000760410 [0,2,0,0,0,0|2,0,0]=4 15683 B13R0.1171 CCCOC(=O)C(C)OCCCCF 7a_100000037348_100000729493 [0,2,0,0,0,0|2,0,0]=4 15684 B13R0.1171 CCCOC(=O)C(C)OCCCCF 7a_100011995726_100000760410 [0,2,0,0,0,0|2,0,0]=4 15685 B13R0.1171 CCCOC(=O)C(C)OCCCCI 34a_200012148704_100000760410 [0,2,0,0,0,0|2,0,0]=4 15686 B13R0.1171 CCCOC(=O)C(C)OCCCCN 34a_100000750430_100000760410 [0,2,0,0,0,0|2,0,0]=4 15687 B13R0.1171 CCCOC(=O)C(C)OCCCCO 34a_100000037348_100011216708 [0,2,0,0,0,0|2,0,0]=4 15688 B13R0.1171 CCCOC(=O)C(C)OCCCCO 7a_100000037348_100000210776 [0,2,0,0,0,0|2,0,0]=4 15689 B13R0.1171 CCCOC(=O)C(C)OCCCNC 34a_100000213112_100000760410 [0,2,0,0,0,0|2,0,0]=4 15690 B13R0.1171 CCCOC(=O)C(C)OCCCOC 34a_100000037348_100000740836 [0,2,0,0,0,0|2,0,0]=4 15691 B13R0.1171 CCCOC(=O)C(C)OCCCOC 34a_100000740835_100000760410 [0,2,0,0,0,0|2,0,0]=4 15692 B13R0.1171 CCCOC(=O)C(C)OCCCOC 7a_100000037348_100000740836 [0,2,0,0,0,0|2,0,0]=4 15693 B13R0.1171 CCCOC(=O)C(C)OCCCSC 34a_100000690336_100000760410 [0,2,0,0,0,0|2,0,0]=4 15694 B13R0.1171 CCCOC(=O)C(C)OCCCSC 7a_100000690336_100000760410 [0,2,0,0,0,0|2,0,0]=4 15695 B13R0.1171 CCCOC(=O)C(C)OCCOCC 34a_100000037348_100000210147 [0,2,0,0,0,0|2,0,0]=4 15696 B13R0.1171 CCCOC(=O)C(C)OCCOCC 34a_100000210136_100000760410 [0,2,0,0,0,0|2,0,0]=4 15697 B13R0.1171 CCCOC(=O)C(C)OCCOCC 7a_100000037348_100011215890 [0,2,0,0,0,0|2,0,0]=4 15698 B13R0.1171 CCCOC(=O)C(C)OCCOCC 7a_100000210136_100000760410 [0,2,0,0,0,0|2,0,0]=4 15699 B13R0.1171 CCCOC(=O)C(C)OCCSCC 34a_100000037348_100000757381 [0,2,0,0,0,0|2,0,0]=4 15700 B13R0.1171 CCCOC(=O)C(C)OCCSCC 34a_100000212035_100000760410 [0,2,0,0,0,0|2,0,0]=4 15701 B13R0.1171 CCCOC(=O)C(C)OCCSCC 7a_100000037348_100000757381 [0,2,0,0,0,0|2,0,0]=4 15702 B13R0.1171 CCCOC(=O)C(C)OCCSCC 7a_100000212035_100000760410 [0,2,0,0,0,0|2,0,0]=4 15703 B13R0.1171 CCCOC(=O)C(C)SCCCCF 62a_100000729493_100000760410 [0,2,0,0,0,0|2,0,0]=4 15704 B13R0.1171 CCCOC(=O)C(C)SCCCCF 62a_100000760410_100000729493 [0,2,0,0,0,0|2,0,0]=4 15705 B13R0.1171 CCCOC(=O)C(C)SCCCCO 62a_100000210776_100000760410 [0,2,0,0,0,0|2,0,0]=4 15706 B13R0.1171 CCCOC(=O)C(C)SCCCCO 62a_100000760410_100000210776 [0,2,0,0,0,0|2,0,0]=4 15707 B13R0.1171 CCCOC(=O)C(C)SCCCOC 62a_100000709357_100000760410 [0,2,0,0,0,0|2,0,0]=4 15708 B13R0.1171 CCCOC(=O)C(C)SCCCOC 62a_100000760410_100000709357 [0,2,0,0,0,0|2,0,0]=4 15709 B13R0.1171 CCCOC(=O)C(C)SCCOCC 62a_100000210147_100000760410 [0,2,0,0,0,0|2,0,0]=4 15710 B13R0.1171 CCCOC(=O)C(C)SCCOCC 62a_100000760410_100011215890 [0,2,0,0,0,0|2,0,0]=4 15711 B13R0.1171 CCCOC(=O)C(C)SCCSCC 62a_100000757381_100000760410 [0,2,0,0,0,0|2,0,0]=4 15712 B13R0.1171 CCCOC(=O)C(C)SCCSCC 62a_100000760410_100000757381 [0,2,0,0,0,0|2,0,0]=4 15713 B13R0.1171 CCOCC(=O)N(C)CCCCCO 240690a_100000722520_100000211967 [0,2,0,0,0,0|2,0,0]=4 15714 B13R0.1283 CCCCCC(=O)C(C)C(=O)NCC 1458a_100000212188_100000230173 [0,2,0,0,0,0|1,0,1]=4 15715 B13R0.1283 CCCCCC(=O)C(C)C(=O)OCC 1458a_100000212188_100011216346 [0,2,0,0,0,0|0,0,1]=3 15716 B13R0.1283 CCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210326 [0,2,0,0,0,0|0,0,1]=3 15717 B13R0.1283 CCCCCC(=O)C(F)C(=O)OCC 1458a_100000212188_100000760018 [0,2,0,0,0,0|0,0,1]=3 15718 B13R0.1283 CCCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011218191 [0,2,0,0,0,0|1,0,1]=4 15719 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 11a_100000223495_100014798877 [0,2,0,0,0,0|1,0,1]=4 15720 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 1626a_100000223495_100014798877 [0,2,0,0,0,0|1,0,1]=4 15721 B13R0.1283 CCCCCN(C)C(=O)C(=O)OCC 240690a_100000223495_100014798877 [0,2,0,0,0,0|1,0,1]=4 15722 B13R0.1283 CCCCCN(C)C(C)C(=O)NCC 2230a_100000223495_100000230173 [0,2,0,0,0,0|2,0,0]=4 15723 B13R0.1283 CCCCCN(C)C(C)C(=O)NCC 269982a_100000223495_100000230173 [0,2,0,0,0,0|2,0,0]=4 15724 B13R0.1283 CCCCCN(C)C(C)C(=O)OCC 2230a_100000223495_100011215307 [0,2,0,0,0,0|1,0,0]=3 15725 B13R0.1283 CCCCCN(C)C(C)C(=O)OCC 269982a_100000223495_100011216346 [0,2,0,0,0,0|1,0,0]=3 15726 B13R0.1283 CCCCCN(C)C(F)C(=O)OCC 2230a_100000223495_100000760018 [0,2,0,0,0,0|1,0,0]=3 15727 B13R0.1283 CCCCCN(C)C(F)C(=O)OCC 269982a_100000223495_100000760018 [0,2,0,0,0,0|1,0,0]=3 15728 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 11a_100000102301_100132301724 [0,2,0,0,0,0|1,0,1]=4 15729 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 1626a_100000102301_100132301724 [0,2,0,0,0,0|1,0,1]=4 15730 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 240690a_100000102301_100132301724 [0,2,0,0,0,0|1,0,1]=4 15731 B13R0.1283 CCCCNC(=O)C(C)C(=O)OCC 527a_100000102301_100132301724 [0,2,0,0,0,0|1,0,1]=4 15732 B13R0.1283 CCCCNC(C)C(=O)C(=O)OCC 2230a_100000102301_100010256902 [0,2,0,0,0,0|1,0,1]=4 15733 B13R0.1283 CCCCSC(C)C(=O)C(=O)OCC 62a_100000210211_100010256902 [0,2,0,0,0,0|1,0,1]=4 15734 B13R0.1283 CCCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210210 [0,2,0,0,0,0|1,0,1]=4 15735 B13R0.1283 CCCOCC(=O)C(C)C(=O)OCC 1458a_100000745993_100011216346 [0,2,0,0,0,0|1,0,1]=4 15736 B13R0.1283 CCCOCC(=O)C(F)C(=O)OCC 1458a_100000745993_100000760018 [0,2,0,0,0,0|1,0,1]=4 15737 B13R0.1283 CCCSCC(=O)C(C)C(=O)OCC 1458a_100000217233_100011216346 [0,2,0,0,0,0|1,0,1]=4 15738 B13R0.1283 CCCSCC(=O)C(F)C(=O)OCC 1458a_100000217233_100000760018 [0,2,0,0,0,0|1,0,1]=4 15739 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCF 1458a_100132301724_100000729493 [0,2,0,0,0,0|1,0,1]=4 15740 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100011216346 [0,2,0,0,0,0|1,0,1]=4 15741 B13R0.1283 CCOC(=O)C(C)C(=O)CCCCO 1458a_100132301724_100000210776 [0,2,0,0,0,0|1,0,1]=4 15742 B13R0.1283 CCOC(=O)C(C)C(=O)CCCOC 1458a_100000741012_100011216346 [0,2,0,0,0,0|1,0,1]=4 15743 B13R0.1283 CCOC(=O)C(C)C(=O)CCCOC 1458a_100132301724_100000740836 [0,2,0,0,0,0|1,0,1]=4 15744 B13R0.1283 CCOC(=O)C(C)C(=O)CCCSC 1458a_100000173376_100011216346 [0,2,0,0,0,0|1,0,1]=4 15745 B13R0.1283 CCOC(=O)C(C)C(=O)CCSCC 1458a_100000230768_100011216346 [0,2,0,0,0,0|1,0,1]=4 15746 B13R0.1283 CCOC(=O)C(C)C(=O)CCSCC 1458a_100132301724_100000757381 [0,2,0,0,0,0|1,0,1]=4 15747 B13R0.1283 CCOC(=O)C(C)N(C)CCCCO 2230a_100000717598_100011215307 [0,2,0,0,0,0|2,0,0]=4 15748 B13R0.1283 CCOC(=O)C(C)N(C)CCCCO 269982a_100000717598_100011216346 [0,2,0,0,0,0|2,0,0]=4 15749 B13R0.1283 CCOC(=O)C(C)N(C)CCCOC 2230a_100000224831_100011215307 [0,2,0,0,0,0|2,0,0]=4 15750 B13R0.1283 CCOC(=O)C(C)N(C)CCCOC 269982a_100000224831_100011216346 [0,2,0,0,0,0|2,0,0]=4 15751 B13R0.1283 CCOC(=O)C(F)C(=O)CCCCO 1458a_100000695505_100000760018 [0,2,0,0,0,0|1,0,1]=4 15752 B13R0.1283 CCOC(=O)C(F)C(=O)CCCOC 1458a_100000741012_100000760018 [0,2,0,0,0,0|1,0,1]=4 15753 B13R0.1283 CCOC(=O)C(F)C(=O)CCCSC 1458a_100000173376_100000760018 [0,2,0,0,0,0|1,0,1]=4 15754 B13R0.1283 CCOC(=O)C(F)C(=O)CCSCC 1458a_100000230768_100000760018 [0,2,0,0,0,0|1,0,1]=4 15755 B13R0.1283 CCOC(=O)C(F)N(C)CCCCO 2230a_100000717598_100000760018 [0,2,0,0,0,0|2,0,0]=4 15756 B13R0.1283 CCOC(=O)C(F)N(C)CCCCO 269982a_100000717598_100000760018 [0,2,0,0,0,0|2,0,0]=4 15757 B13R0.1283 CCOC(=O)C(F)N(C)CCCOC 2230a_100000224831_100000760018 [0,2,0,0,0,0|2,0,0]=4 15758 B13R0.1283 CCOC(=O)C(F)N(C)CCCOC 269982a_100000224831_100000760018 [0,2,0,0,0,0|2,0,0]=4 15759 B13R0.1283 CCOCCC(=O)C(C)C(=O)OCC 1458a_100000749530_100011216346 [0,2,0,0,0,0|1,0,1]=4 15760 B13R0.1283 CCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100011215890 [0,2,0,0,0,0|1,0,1]=4 15761 B13R0.1283 CCOCCC(=O)C(F)C(=O)OCC 1458a_100000749530_100000760018 [0,2,0,0,0,0|1,0,1]=4 15762 B13R0.23 C#CC(CCC)OCCC(=O)NCC 7a_200011217317_100000737597 [0,2,0,0,0,0|2,0,0]=4 15763 B13R0.23 C#CC(CCC)OCCC(=O)OCC 34a_200011217317_100000765890 [0,2,0,0,0,0|1,0,0]=3 15764 B13R0.23 C#CC(CCC)OCCC(=O)OCC 7a_200011217317_100011206558 [0,2,0,0,0,0|1,0,0]=3 15765 B13R0.23 C=CC(CCC)OCCC(=O)NCC 7a_100011216692_100000737597 [0,2,0,0,0,0|2,0,0]=4 15766 B13R0.23 C=CC(CCC)OCCC(=O)OCC 34a_100011216692_100000765890 [0,2,0,0,0,0|1,0,0]=3 15767 B13R0.23 C=CC(CCC)OCCC(=O)OCC 7a_100011216692_100011206558 [0,2,0,0,0,0|1,0,0]=3 15768 B13R0.23 CCCC(C#N)OCCC(=O)NCC 7a_100000686963_100000737597 [0,2,0,0,0,0|2,0,0]=4 15769 B13R0.23 CCCC(C#N)OCCC(=O)OCC 34a_100000686963_100000765890 [0,2,0,0,0,0|1,0,0]=3 15770 B13R0.23 CCCC(C#N)OCCC(=O)OCC 7a_100000686963_100011206558 [0,2,0,0,0,0|1,0,0]=3 15771 B13R0.23 CCCC(CC)NCCC(=O)NCC 2230a_100000747048_100000737597 [0,2,0,0,0,0|2,0,0]=4 15772 B13R0.23 CCCC(CC)NCCC(=O)NCC 270004a_100025743525_100000687865 [0,2,0,0,0,0|2,0,0]=4 15773 B13R0.23 CCCC(CC)NCCC(=O)OCC 2230a_100000747048_100011206558 [0,2,0,0,0,0|1,0,0]=3 15774 B13R0.23 CCCC(CC)OCCC(=O)NCC 7a_100000687864_100000737597 [0,2,0,0,0,0|2,0,0]=4 15775 B13R0.23 CCCC(CC)OCCC(=O)OCC 34a_100000687864_100000765890 [0,2,0,0,0,0|1,0,0]=3 15776 B13R0.23 CCCC(CC)OCCC(=O)OCC 7a_100000687864_100011206558 [0,2,0,0,0,0|1,0,0]=3 15777 B13R0.23 CCCC(CC)SCCC(=O)NCC 62a_100000737597_100011219200 [0,2,0,0,0,0|2,0,0]=4 15778 B13R0.23 CCCC(CC)SCCC(=O)NCC 62a_100011219200_100000737597 [0,2,0,0,0,0|2,0,0]=4 15779 B13R0.23 CCCC(CC)SCCC(=O)OCC 62a_100000765890_100011219200 [0,2,0,0,0,0|1,0,0]=3 15780 B13R0.23 CCCC(CC)SCCC(=O)OCC 62a_100011219200_100000765890 [0,2,0,0,0,0|1,0,0]=3 15781 B13R0.23 CCCC(CC)SCOC(=O)OCC 62a_100011219200_100000075025 [0,2,0,0,0,0|2,0,0]=4 15782 B13R0.23 CCCN(CC)CCCC(=O)OCC 2230a_100000226822_100009991533 [0,2,0,0,0,0|1,0,0]=3 15783 B13R0.23 CCCN(CC)CCCC(=O)OCC 269982a_100000226822_100009991533 [0,2,0,0,0,0|1,0,0]=3 15784 B13R0.23 CCCN(CC)CCNC(=O)OCC 269982a_100000226822_200011445536 [0,2,0,0,0,0|2,0,0]=4 15785 B13R0.23 CCC[C@@H](CO)NCCC(=O)NCC 2230a_100000732646_100000737597 [0,2,0,0,0,0|2,0,0]=4 15786 B13R0.23 CCC[C@@H](CO)NCCC(=O)OCC 2230a_100000732646_100011206558 [0,2,0,0,0,0|1,0,0]=3 15787 B13R0.23 CCC[C@@H](CO)NCCC(=O)OCC 34a_100000732646_100000765890 [0,2,0,0,0,0|1,0,0]=3 15788 B13R0.23 CCOC(=O)CCCN(CC)CCO 2230a_100000210973_100009991533 [0,2,0,0,0,0|2,0,0]=4 15789 B13R0.23 CCOC(=O)CCCN(CC)CCO 269982a_100000210973_100009991533 [0,2,0,0,0,0|2,0,0]=4 15790 B13R0.23 CCOC(=O)CCNC(CC)COC 2230a_100000757820_100011206558 [0,2,0,0,0,0|2,0,0]=4 15791 B13R0.23 CCOC(=O)CCNC(CO)COC 2230a_100000724102_100011206558 [0,2,0,0,0,0|2,0,0]=4 15792 B13R0.23 CCOC(=O)CCNC(CO)COC 34a_100000724102_100000765890 [0,2,0,0,0,0|2,0,0]=4 15793 B13R0.23 CCOC(=O)CCOC(CC)COC 7a_200011214946_100011206558 [0,2,0,0,0,0|2,0,0]=4 15794 B13R0.23 CCOC(=O)CCOC(CCl)COC 34a_100011215053_100000765890 [0,2,0,0,0,0|2,0,0]=4 15795 B13R0.23 CCOC(=O)CCOC(CN)COC 34a_100000756049_100000765890 [0,2,0,0,0,0|2,0,0]=4 15796 B13R0.23 CCOC(=O)CNCC(CC)OCC 2230a_100015183923_100000188475 [0,2,0,0,0,0|2,0,0]=4 15797 B13R0.23 CCOC(=O)CNCC(CC)OCC 34a_100015183923_100000188475 [0,2,0,0,0,0|2,0,0]=4 15798 B13R0.272 C=CC(CCCCCCC)OCCC 34a_200011934235_100000210303 [0,2,0,0,0,0|1,0,1]=4 15799 B13R0.272 C=CC(CCCCCCC)OCCC 7a_200011934235_100000210303 [0,2,0,0,0,0|1,0,1]=4 15800 B13R0.272 C=CC(CCCCCCC)OCCF 34a_200011934235_100011217306 [0,2,0,0,0,0|1,0,1]=4 15801 B13R0.272 C=CC(CCCCCCC)OCCF 7a_200011934235_100011217306 [0,2,0,0,0,0|1,0,1]=4 15802 B13R0.272 C=CC(CCCCCCC)OCCO 34a_200011934235_100000211926 [0,2,0,0,0,0|1,0,1]=4 15803 B13R0.272 C=CC(CCCCCCC)OCCO 7a_200011934235_100000211926 [0,2,0,0,0,0|1,0,1]=4 15804 B13R0.272 C=CC(CCCCCCC)OCSC 34a_200011934235_100011218213 [0,2,0,0,0,0|1,0,1]=4 15805 B13R0.272 CCCCCCCC(=NNCC)CC 4a_100000756455_200011217162 [0,2,0,0,0,0|2,0,0]=4 15806 B13R0.272 CCCCCCCC(CC)OCCC 34a_200011217053_100000210303 [0,2,0,0,0,0|1,0,1]=4 15807 B13R0.272 CCCCCCCC(CC)OCCC 7a_200011217053_100000210303 [0,2,0,0,0,0|1,0,1]=4 15808 B13R0.272 CCCCCCCC(CC)OCCF 34a_200011217053_100011217306 [0,2,0,0,0,0|1,0,1]=4 15809 B13R0.272 CCCCCCCC(CC)OCCF 7a_200011217053_100011217306 [0,2,0,0,0,0|1,0,1]=4 15810 B13R0.272 CCCCCCCC(CC)OCCO 34a_200011217053_100000211926 [0,2,0,0,0,0|1,0,1]=4 15811 B13R0.272 CCCCCCCC(CC)OCCO 7a_200011217053_100000211926 [0,2,0,0,0,0|1,0,1]=4 15812 B13R0.272 CCCCCCCC(CC)OCSC 34a_200011217053_100011218213 [0,2,0,0,0,0|1,0,1]=4 15813 B13R0.272 CCCCCCCN(CC)COCC 269982a_100000228213_100000739092 [0,2,0,0,0,0|2,0,0]=4 15814 B13R0.113 C=CCOC(=O)CNCCC(C)CC 2230a_100020591266_100000033060 [0,2,0,0,0,0|1,0,1]=4 15815 B13R0.113 C=CCOC(=O)COCCC(C)CC 7a_100011215188_100000033060 [0,2,0,0,0,0|1,0,1]=4 15816 B13R0.113 CCCNC(=O)CCCNC(C)CC 2230a_100000209981_100011194427 [0,2,0,0,0,0|2,0,0]=4 15817 B13R0.113 CCCNC(=O)CCCOC(C)CC 7a_100000210228_100011194427 [0,2,0,0,0,0|2,0,0]=4 15818 B13R0.113 CCCNC(=O)CCCSC(C)CC 62a_100000758301_100011194427 [0,2,0,0,0,0|2,0,0]=4 15819 B13R0.113 CCCNC(=O)CCCSC(C)CC 62a_100011194427_100000758301 [0,2,0,0,0,0|2,0,0]=4 15820 B13R0.113 CCCNC(=O)CNCCC(C)CC 2230a_100020591266_100000183358 [0,2,0,0,0,0|2,0,0]=4 15821 B13R0.113 CCCNC(=O)COCCC(C)CC 7a_100011215188_100000183358 [0,2,0,0,0,0|2,0,0]=4 15822 B13R0.113 CCCOC(=O)CNCCC(C)CC 2230a_100020591266_200011215008 [0,2,0,0,0,0|1,0,0]=3 15823 B13R0.113 CCCOC(=O)CNCCC(C)CO 2230a_106354213184_200011215008 [0,2,0,0,0,0|2,0,0]=4 15824 B13R0.113 CCCOC(=O)CNCCC(C)CO 34a_106354213184_200011215008 [0,2,0,0,0,0|2,0,0]=4 15825 B13R0.113 CCCOC(=O)COCCC(C)CC 7a_100011215188_200011215008 [0,2,0,0,0,0|1,0,0]=3 15826 B13R0.113 CCCOC(=O)COCCC(C)OC 7a_100000764861_200011215008 [0,2,0,0,0,0|2,0,0]=4 15827 B13R0.113 CCCOC(=O)OCOC[C@@H](C)CC 7a_100009816381_200000139673 [0,2,0,0,0,0|2,0,0]=4 15828 B13R0.113 CCCOC(=O)OCSCC(C)CC 62a_100000748023_200000139673 [0,2,0,0,0,0|2,0,0]=4 15829 B13R0.113 CCCOC(=O)OCSCC(O)CC 62a_100011218378_200000139673 [0,2,0,0,0,0|2,0,0]=4 15830 B13R0.113 CCCOC(=O)OCSC[C@@H](C)CC 62a_100009816398_200000139673 [0,2,0,0,0,0|2,0,0]=4 15831 B13R0.113 CCOCC(=O)CCCCC(=O)OC 1458a_100000211967_100000204269 [0,2,0,0,0,0|1,0,1]=4 15832 B13R0.119 C#CCCC(=O)CCCCCC(C)C 1458a_100000692101_100000210682 [0,2,0,0,0,0|1,0,1]=4 15833 B13R0.119 C#CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000753159 [0,2,0,0,0,0|1,0,1]=4 15834 B13R0.119 C#CCNC(=O)CCCCCC(C)C 11a_100000212058_100000766313 [0,2,0,0,0,0|1,0,1]=4 15835 B13R0.119 C#CCNC(=O)CCCCCC(C)C 1626a_100000212058_100000766313 [0,2,0,0,0,0|1,0,1]=4 15836 B13R0.119 C#CCNC(=O)CCCCCC(C)C 240690a_100000212058_100000766313 [0,2,0,0,0,0|1,0,1]=4 15837 B13R0.119 C#CCNC(=O)CCCCCC(C)C 527a_100000212058_100000766313 [0,2,0,0,0,0|1,0,1]=4 15838 B13R0.119 C/C=C/CC(=O)CCCCCC(C)C 1458a_100000766313_100102629194 [0,2,0,0,0,0|1,0,1]=4 15839 B13R0.119 C=C(CNCCCC(C)C)OCOC 34a_200000737386_100000042856 [0,2,0,0,0,0|2,0,0]=4 15840 B13R0.119 C=C(COCCCC(C)C)OCOC 34a_100000210774_100000042856 [0,2,0,0,0,0|2,0,0]=4 15841 B13R0.119 C=C(CSCCCC(C)C)OCOC 62a_100000042856_100011214892 [0,2,0,0,0,0|2,0,0]=4 15842 B13R0.119 C=C(CSCCCC(C)C)OCOC 62a_100011214892_100000042856 [0,2,0,0,0,0|2,0,0]=4 15843 B13R0.119 C=C(CSCCCC(C)O)OCOC 62a_100000042856_200000718107 [0,2,0,0,0,0|2,0,0]=4 15844 B13R0.119 C=C(CSCCCC(C)O)OCOC 62a_200000718107_100000042856 [0,2,0,0,0,0|2,0,0]=4 15845 B13R0.119 C=CCCC(=O)CCCCCC(C)C 1458a_100000749702_100000210682 [0,2,0,0,0,0|1,0,1]=4 15846 B13R0.119 C=CCCC(=O)CCCCCC(C)C 1458a_100000766313_100000754431 [0,2,0,0,0,0|1,0,1]=4 15847 B13R0.119 C=CCNC(=O)CCCCCC(C)C 1626a_100020586998_100000766313 [0,2,0,0,0,0|1,0,1]=4 15848 B13R0.119 C=CCNC(=O)CCCCCC(C)C 240690a_100020586998_100000766313 [0,2,0,0,0,0|1,0,1]=4 15849 B13R0.119 C=CCNC(=O)CCCCCC(C)C 527a_100020586998_100000766313 [0,2,0,0,0,0|1,0,1]=4 15850 B13R0.119 C=CCOC(=O)CNCCCC(C)C 2230a_200000737386_100000033060 [0,2,0,0,0,0|1,0,1]=4 15851 B13R0.119 C=CCOC(=O)CNCCCC(C)C 34a_200000737386_100000033060 [0,2,0,0,0,0|1,0,1]=4 15852 B13R0.119 C=CCOC(=O)COCCCC(C)C 34a_100000210774_100000033060 [0,2,0,0,0,0|1,0,1]=4 15853 B13R0.119 C=CCOC(=O)COCCCC(C)C 7a_100000210774_100000033060 [0,2,0,0,0,0|1,0,1]=4 15854 B13R0.119 C=CCOC(=O)CSCCCC(C)C 62a_100000033060_100011214892 [0,2,0,0,0,0|1,0,1]=4 15855 B13R0.119 C=CCOC(=O)CSCCCC(C)C 62a_100011214892_100000033060 [0,2,0,0,0,0|1,0,1]=4 15856 B13R0.119 C=CCOC(=O)CSCCCC(C)O 62a_100000033060_200000718107 [0,2,0,0,0,0|1,0,1]=4 15857 B13R0.119 C=CCOC(=O)CSCCCC(C)O 62a_200000718107_100000033060 [0,2,0,0,0,0|1,0,1]=4 15858 B13R0.119 CC#CCC(=O)CCCCCC(C)C 1458a_100000766313_100000748600 [0,2,0,0,0,0|1,0,1]=4 15859 B13R0.119 CC(C)CCCCCC(=O)C#CCO 1458a_100000049017_100000210682 [0,2,0,0,0,0|1,0,1]=4 15860 B13R0.119 CC(C)CCCCCC(=O)CCC#N 1458a_100000766313_100011215226 [0,2,0,0,0,0|1,0,1]=4 15861 B13R0.119 CC(C)CCCCCC(=O)CCC#N 1458a_100011934036_100000210682 [0,2,0,0,0,0|1,0,1]=4 15862 B13R0.119 CC(C)CCCCCC(=O)CCCF 1458a_100000766313_100011934791 [0,2,0,0,0,0|1,0,0]=3 15863 B13R0.119 CC(C)CCCCCC(=O)CCCO 1458a_100000766313_100011215043 [0,2,0,0,0,0|1,0,0]=3 15864 B13R0.119 CC(C)CCCCCC(=O)NCC#N 1626a_100000734998_100000766313 [0,2,0,0,0,0|1,0,1]=4 15865 B13R0.119 CC(C)CCCCCC(=O)NCC#N 527a_100000734998_100000766313 [0,2,0,0,0,0|1,0,1]=4 15866 B13R0.119 CC(C)CCCCCC(=O)NCCF 11a_100000724931_100000766313 [0,2,0,0,0,0|1,0,0]=3 15867 B13R0.119 CC(C)CCCCCC(=O)NCCF 1626a_100000724931_100000766313 [0,2,0,0,0,0|1,0,0]=3 15868 B13R0.119 CC(C)CCCCCC(=O)NCCF 240690a_100000724931_100000766313 [0,2,0,0,0,0|1,0,0]=3 15869 B13R0.119 CC(C)CCCCCC(=O)NCCF 527a_100000724931_100000766313 [0,2,0,0,0,0|1,0,0]=3 15870 B13R0.119 CC(C)CCCCCC(=O)NCCO 240690a_100000210304_100000766313 [0,2,0,0,0,0|1,0,0]=3 15871 B13R0.119 CC(C)CCCCCC(=O)NCCO 527a_100000210304_100000766313 [0,2,0,0,0,0|1,0,0]=3 15872 B13R0.119 CC(C)CCCNCC(=O)NCCF 2230a_100000725713_100011214892 [0,2,0,0,0,0|2,0,0]=4 15873 B13R0.119 CC(O)CCCNCC(=O)NCCF 2230a_100000725713_200000718107 [0,2,0,0,0,0|2,0,0]=4 15874 B13R0.119 CC=CCC(=O)CCCCCC(C)C 1458a_100000766313_100000070051 [0,2,0,0,0,0|1,0,1]=4 15875 B13R0.119 CC=CCC(=O)CCCCCC(C)C 1458a_100121576822_100000210682 [0,2,0,0,0,0|1,0,1]=4 15876 B13R0.119 CCC#CC(=O)CCCCCC(C)C 1458a_100011827653_100000210682 [0,2,0,0,0,0|1,0,0]=3 15877 B13R0.119 CCC=CC(=O)CCCCCC(C)C 1458a_100000212282_100000210682 [0,2,0,0,0,0|1,0,0]=3 15878 B13R0.119 CCCCC(=O)CCCCCC(C)C 1458a_100000210183_100000210682 [0,2,0,0,0,0|1,0,0]=3 15879 B13R0.119 CCCCC(=O)CCCCCC(C)C 1458a_100000766313_100000210211 [0,2,0,0,0,0|1,0,0]=3 15880 B13R0.119 CCCNC(=O)CCCCCC(C)C 11a_100020643023_100000766313 [0,2,0,0,0,0|1,0,0]=3 15881 B13R0.119 CCCNC(=O)CCCCCC(C)C 1626a_100020643023_100000766313 [0,2,0,0,0,0|1,0,0]=3 15882 B13R0.119 CCCNC(=O)CCCCCC(C)C 240690a_100020643023_100000766313 [0,2,0,0,0,0|1,0,0]=3 15883 B13R0.119 CCCNC(=O)CCCCCC(C)C 527a_100020643023_100000766313 [0,2,0,0,0,0|1,0,0]=3 15884 B13R0.119 CCCNC(=O)CCCNCC(C)C 2230a_100000210953_100011194427 [0,2,0,0,0,0|2,0,0]=4 15885 B13R0.119 CCCNC(=O)CCCNCC(C)O 2230a_100000210904_100011194427 [0,2,0,0,0,0|2,0,0]=4 15886 B13R0.119 CCCNC(=O)CCCSCC(C)C 62a_100000210624_100011194427 [0,2,0,0,0,0|2,0,0]=4 15887 B13R0.119 CCCNC(=O)CCCSCC(C)C 62a_100011194427_100000210760 [0,2,0,0,0,0|2,0,0]=4 15888 B13R0.119 CCCNC(=O)CCCSCC(C)O 62a_100011194427_100011218427 [0,2,0,0,0,0|2,0,0]=4 15889 B13R0.119 CCCNC(=O)CCCSCC(C)O 62a_100011218427_100011194427 [0,2,0,0,0,0|2,0,0]=4 15890 B13R0.119 CCCNC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011194427 [0,2,0,0,0,0|2,0,0]=4 15891 B13R0.119 CCCNC(=O)CCCSC[C@@H](C)O 62a_100011194427_100009817552 [0,2,0,0,0,0|2,0,0]=4 15892 B13R0.119 CCCNC(=O)CNCCCC(C)C 2230a_100000174927_100011214892 [0,2,0,0,0,0|2,0,0]=4 15893 B13R0.119 CCCNC(=O)CNCCCC(C)C 2230a_200000737386_100000183358 [0,2,0,0,0,0|2,0,0]=4 15894 B13R0.119 CCCNC(=O)CNCCCC(C)C 34a_200000737386_100000183358 [0,2,0,0,0,0|2,0,0]=4 15895 B13R0.119 CCCNC(=O)CNCCCC(C)O 2230a_100000174927_200000718107 [0,2,0,0,0,0|2,0,0]=4 15896 B13R0.119 CCCNC(=O)COCCCC(C)C 34a_100000210774_100000183358 [0,2,0,0,0,0|2,0,0]=4 15897 B13R0.119 CCCNC(=O)COCCCC(C)C 7a_100000210774_100000183358 [0,2,0,0,0,0|2,0,0]=4 15898 B13R0.119 CCCNC(=O)CSCCCC(C)C 62a_100000183358_100011214892 [0,2,0,0,0,0|2,0,0]=4 15899 B13R0.119 CCCNC(=O)CSCCCC(C)C 62a_100011214892_100000183358 [0,2,0,0,0,0|2,0,0]=4 15900 B13R0.119 CCCNC(=O)CSCCCC(C)O 62a_100000183358_200000718107 [0,2,0,0,0,0|2,0,0]=4 15901 B13R0.119 CCCNC(=O)CSCCCC(C)O 62a_200000718107_100000183358 [0,2,0,0,0,0|2,0,0]=4 15902 B13R0.119 CCCOC(=O)CNCCCC(C)C 2230a_200000737386_200011215008 [0,2,0,0,0,0|1,0,0]=3 15903 B13R0.119 CCCOC(=O)CNCCCC(C)C 34a_200000737386_200011215008 [0,2,0,0,0,0|1,0,0]=3 15904 B13R0.119 CCCOC(=O)CNCCCS(=O)C 2230a_200000753449_200011215008 [0,2,0,0,0,0|2,0,0]=4 15905 B13R0.119 CCCOC(=O)CNCCOC(C)C 2230a_100000701111_200011215008 [0,2,0,0,0,0|2,0,0]=4 15906 B13R0.119 CCCOC(=O)CNCCOC(C)C 34a_100000701111_200011215008 [0,2,0,0,0,0|2,0,0]=4 15907 B13R0.119 CCCOC(=O)CNCCSC(C)C 2230a_100000731138_200011215008 [0,2,0,0,0,0|2,0,0]=4 15908 B13R0.119 CCCOC(=O)CNCCSC(C)C 34a_100000731138_200011215008 [0,2,0,0,0,0|2,0,0]=4 15909 B13R0.119 CCCOC(=O)COCCCC(=O)C 34a_100000759063_200011215008 [0,2,0,0,0,0|1,0,1]=4 15910 B13R0.119 CCCOC(=O)COCCCC(=O)C 7a_100000759063_200011215008 [0,2,0,0,0,0|1,0,1]=4 15911 B13R0.119 CCCOC(=O)COCCCC(C)C 34a_100000210774_200011215008 [0,2,0,0,0,0|1,0,0]=3 15912 B13R0.119 CCCOC(=O)COCCCC(C)C 7a_100000210774_200011215008 [0,2,0,0,0,0|1,0,0]=3 15913 B13R0.119 CCCOC(=O)COCCNC(C)C 34a_100000224655_200011215008 [0,2,0,0,0,0|2,0,0]=4 15914 B13R0.119 CCCOC(=O)COCCOC(C)C 34a_100000211219_200011215008 [0,2,0,0,0,0|2,0,0]=4 15915 B13R0.119 CCCOC(=O)COCCOC(C)C 7a_100000211219_200011215008 [0,2,0,0,0,0|2,0,0]=4 15916 B13R0.119 CCCOC(=O)COCCSC(C)C 34a_200011212901_200011215008 [0,2,0,0,0,0|2,0,0]=4 15917 B13R0.119 CCCOC(=O)COCCSC(C)C 7a_200011212901_200011215008 [0,2,0,0,0,0|2,0,0]=4 15918 B13R0.119 CCCOC(=O)CSCCCC(=O)C 62a_100011215641_200011215008 [0,2,0,0,0,0|1,0,1]=4 15919 B13R0.119 CCCOC(=O)CSCCCC(=O)C 62a_200011215008_100011215641 [0,2,0,0,0,0|1,0,1]=4 15920 B13R0.119 CCCOC(=O)CSCCCC(C)C 62a_100011214892_200011215008 [0,2,0,0,0,0|1,0,0]=3 15921 B13R0.119 CCCOC(=O)CSCCCC(C)C 62a_200011215008_100011214892 [0,2,0,0,0,0|1,0,0]=3 15922 B13R0.119 CCCOC(=O)CSCCCC(C)O 62a_200000718107_200011215008 [0,2,0,0,0,0|1,0,0]=3 15923 B13R0.119 CCCOC(=O)CSCCCC(C)O 62a_200011215008_200000718107 [0,2,0,0,0,0|1,0,0]=3 15924 B13R0.119 CCCOC(=O)CSCCCN(C)C 62a_200011215008_100000757444 [0,2,0,0,0,0|2,0,0]=4 15925 B13R0.119 CCCOC(=O)CSCCOC(C)C 62a_100000211751_200011215008 [0,2,0,0,0,0|2,0,0]=4 15926 B13R0.119 CCCOC(=O)CSCCOC(C)C 62a_200011215008_100000211751 [0,2,0,0,0,0|2,0,0]=4 15927 B13R0.119 CCCOC(=O)CSCCSC(C)C 62a_100000730970_200011215008 [0,2,0,0,0,0|2,0,0]=4 15928 B13R0.119 CCCOC(=O)CSCCSC(C)C 62a_200011215008_100000730970 [0,2,0,0,0,0|2,0,0]=4 15929 B13R0.119 CCCOC(=O)OCOCCC(C)Br 34a_100009893172_200000139673 [0,2,0,0,0,0|2,0,0]=4 15930 B13R0.119 CCCOC(=O)OCOCCC(C)C 34a_100000210254_200000139673 [0,2,0,0,0,0|2,0,0]=4 15931 B13R0.119 CCCOC(=O)OCOCCC(C)C 7a_100000210254_200000139673 [0,2,0,0,0,0|2,0,0]=4 15932 B13R0.119 CCCOC(=O)OCOCC[C@@H](C)N 34a_100000706166_200000139673 [0,2,0,0,0,0|2,0,0]=4 15933 B13R0.119 CCCOC(=O)OCSCCC(C)C 62a_100000210312_200000139673 [0,2,0,0,0,0|2,0,0]=4 15934 B13R0.119 CCCOC(=O)OCSCCC(C)O 62a_100012276601_200000139673 [0,2,0,0,0,0|2,0,0]=4 15935 B13R0.119 CCNNC(=O)CCCCCC(C)C 22a_100000756455_100000766313 [0,2,0,0,0,0|1,0,0]=3 15936 B13R0.119 CCOCC(=O)CCCCCB(O)O 1458a_100000211967_200009817188 [0,2,0,0,0,0|2,0,0]=4 15937 B13R0.119 CCOCC(=O)CCCCCC(=O)N 1458a_100000211967_100009817443 [0,2,0,0,0,0|1,0,1]=4 15938 B13R0.119 CCOCC(=O)CCCCCC(C)C 1458a_100000211967_100000210682 [0,2,0,0,0,0|0,0,0]=2 15939 B13R0.119 CCOCC(=O)CCCCOC(=O)C 1458a_100000211967_100000033659 [0,2,0,0,0,0|1,0,1]=4 15940 B13R0.119 CCOCC(=O)CCCCSC(=O)C 1458a_100000211967_200010402107 [0,2,0,0,0,0|1,0,1]=4 15941 B13R0.119 CCOCC(=O)NCCCCN(C)C 240690a_100025707445_100000211967 [0,2,0,0,0,0|2,0,0]=4 15942 B13R0.119 CCOCC(=O)NCCCOC(C)C 11a_100000737246_100000211967 [0,2,0,0,0,0|2,0,0]=4 15943 B13R0.119 CCOCC(=O)NCCCOC(C)C 1626a_100000737246_100000211967 [0,2,0,0,0,0|2,0,0]=4 15944 B13R0.119 CCOCC(=O)NCCCOC(C)C 240690a_100000737246_100000211967 [0,2,0,0,0,0|2,0,0]=4 15945 B13R0.119 CCOCC(=O)NCCCOC(C)C 34a_100121572206_100000230355 [0,2,0,0,0,0|2,0,0]=4 15946 B13R0.119 CCOCC(=O)NCCCOC(C)C 527a_100000737246_100000211967 [0,2,0,0,0,0|2,0,0]=4 15947 B13R0.119 CCSCC(=O)CCCCCC(C)C 1458a_100000230394_100000210682 [0,2,0,0,0,0|0,1,0]=3 15948 B13R0.119 COC=CC(=O)CCCCCC(C)C 1458a_100016268678_100000210682 [0,2,0,0,0,0|1,0,1]=4 15949 B13R0.119 COCCC(=O)CCCCCC(C)C 1458a_100000749529_100000210682 [0,2,0,0,0,0|1,0,0]=3 15950 B13R0.119 COCCC(=O)CCCCCC(C)C 1458a_100000766313_100000233755 [0,2,0,0,0,0|1,0,0]=3 15951 B13R0.119 CSCCC(=O)CCCCCC(C)C 1458a_100000174002_100000210682 [0,2,0,0,0,0|1,0,0]=3 15952 B13R0.119 CSCCC(=O)CCCCCC(C)C 1458a_100000766313_100000751147 [0,2,0,0,0,0|1,0,0]=3 15953 B13R0.154 C#CCCCCCC(=O)COC(C)C 1458a_100000745533_100012094781 [0,2,0,0,0,0|0,0,2]=4 15954 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_100000211969_100000730704 [0,2,0,0,0,0|1,0,0]=3 15955 B13R0.154 C=C(C)CCC(=O)CCCCCCC 1458a_200000688413_100000210614 [0,2,0,0,0,0|1,0,0]=3 15956 B13R0.154 C=C(C)CCC(=O)CCCCCCF 1458a_200000688413_100015922095 [0,2,0,0,0,0|2,0,0]=4 15957 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_100011996774_100000730704 [0,2,0,0,0,0|2,0,0]=4 15958 B13R0.154 C=C(C)CCC(=O)CCCCCCO 1458a_200000688413_100000766143 [0,2,0,0,0,0|2,0,0]=4 15959 B13R0.154 C=C(C)CCC(=O)CCCCCOC 1458a_100011935119_100000730704 [0,2,0,0,0,0|2,0,0]=4 15960 B13R0.154 C=C(C)CCC(=O)CCOCCCC 1458a_200000688413_100000743108 [0,2,0,0,0,0|2,0,0]=4 15961 B13R0.154 C=C(C)CCC(=O)NCCCCCC 11a_100000210581_200000688413 [0,2,0,0,0,0|2,0,0]=4 15962 B13R0.154 C=C(C)CCC(=O)NCCCCCC 1626a_100000210581_200000688413 [0,2,0,0,0,0|2,0,0]=4 15963 B13R0.154 C=C(C)CCC(=O)NCCCCCC 240690a_100000210581_200000688413 [0,2,0,0,0,0|2,0,0]=4 15964 B13R0.154 C=C(C)CCC(=O)NCCCCCC 527a_100000210581_200000688413 [0,2,0,0,0,0|2,0,0]=4 15965 B13R0.154 C=C(C)CNC(=O)CCCCCCC 11a_100000765925_100000211969 [0,2,0,0,0,0|1,0,0]=3 15966 B13R0.154 C=C(C)CNC(=O)CCCCCCC 1626a_100000765925_100000211969 [0,2,0,0,0,0|1,0,0]=3 15967 B13R0.154 C=C(C)CNC(=O)CCCCCCC 240690a_100000765925_100000211969 [0,2,0,0,0,0|1,0,0]=3 15968 B13R0.154 C=C(C)CNC(=O)CCCCCCC 527a_100000765925_100000211969 [0,2,0,0,0,0|1,0,0]=3 15969 B13R0.154 C=C(C)CNC(=O)CCCCCCO 240690a_100000765925_100011996774 [0,2,0,0,0,0|2,0,0]=4 15970 B13R0.154 C=C(C)CNC(=O)CCCCCOC 11a_100000765925_100011935119 [0,2,0,0,0,0|2,0,0]=4 15971 B13R0.154 C=C(C)CNC(=O)CCCCCOC 1626a_100000765925_100011935119 [0,2,0,0,0,0|2,0,0]=4 15972 B13R0.154 C=C(C)CNC(=O)CCCCCOC 240690a_100000765925_100011935119 [0,2,0,0,0,0|2,0,0]=4 15973 B13R0.154 C=C(C)CNC(=O)CCCCCOC 527a_100000765925_100011935119 [0,2,0,0,0,0|2,0,0]=4 15974 B13R0.154 C=C(C)CNC(=O)NCCCCCC 2708a_100000210581_100000765925 [0,2,0,0,0,0|2,0,0]=4 15975 B13R0.154 C=C(C)CNC(=O)NCCCCCC 2708a_100000765925_100000210581 [0,2,0,0,0,0|2,0,0]=4 15976 B13R0.154 C=C(C)CNC(=O)NCCCCCC 273464a_100000210581_100000765925 [0,2,0,0,0,0|2,0,0]=4 15977 B13R0.154 C=C(C)CNC(=O)NCCCCCC 273464a_100000765925_100000210581 [0,2,0,0,0,0|2,0,0]=4 15978 B13R0.154 C=C(C)CNC(=O)NCCCCCC 512a_100000210581_100000765925 [0,2,0,0,0,0|2,0,0]=4 15979 B13R0.154 C=C(C)CNC(=O)NCCCCCC 512a_100000765925_100000210581 [0,2,0,0,0,0|2,0,0]=4 15980 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_100000210245_200011218727 [0,2,0,0,0,0|1,0,1]=4 15981 B13R0.154 C=C(C)COC(C)CCCCCCC 34a_200011215852_100000748629 [0,2,0,0,0,0|1,0,1]=4 15982 B13R0.154 C=C(C)COC(C)CCCCCCC 7a_200011215852_100000748629 [0,2,0,0,0,0|1,0,1]=4 15983 B13R0.154 C=CCCCCCC(=O)COC(C)C 1458a_100000745533_100000700193 [0,2,0,0,0,0|0,0,2]=4 15984 B13R0.154 CC(=O)OCC(=O)CCCCCCF 1458a_100000183556_100015922095 [0,2,0,0,0,0|1,0,1]=4 15985 B13R0.154 CC(=O)OCC(=O)CCCCCCO 1458a_100000183556_100000766143 [0,2,0,0,0,0|1,0,1]=4 15986 B13R0.154 CC(C)C=CC(=O)CCCCCCF 1458a_100016268746_100015922095 [0,2,0,0,0,0|2,0,0]=4 15987 B13R0.154 CC(C)C=CC(=O)CCCCCCO 1458a_100016268746_100000766143 [0,2,0,0,0,0|2,0,0]=4 15988 B13R0.154 CC(C)CCC(=O)CCCCCCF 1458a_100000181311_100015922095 [0,2,0,0,0,0|2,0,0]=4 15989 B13R0.154 CC(C)CCC(=O)CCCCCCO 1458a_100000181311_100000766143 [0,2,0,0,0,0|2,0,0]=4 15990 B13R0.154 CC(C)CCC(=O)CCCCCCO 1458a_100011996774_100000210312 [0,2,0,0,0,0|2,0,0]=4 15991 B13R0.154 CC(C)CNC(=O)CCCCCCO 240690a_100000210953_100011996774 [0,2,0,0,0,0|2,0,0]=4 15992 B13R0.154 CC(C)OCC(=O)CCCCCC#N 1458a_100000745533_100009813376 [0,2,0,0,0,0|1,0,1]=4 15993 B13R0.154 CC(C)OCC(=O)CCCCCCF 1458a_100000745533_100015922095 [0,2,0,0,0,0|1,0,0]=3 15994 B13R0.154 CC(C)OCC(=O)CCCCCCO 1458a_100000745533_100000766143 [0,2,0,0,0,0|1,0,0]=3 15995 B13R0.154 CC(C)OCC(=O)NCCCCCO 240690a_100000762737_100000745533 [0,2,0,0,0,0|2,0,0]=4 15996 B13R0.154 CC(C)SCC(=O)CCCCCCF 1458a_100000241585_100015922095 [0,2,0,0,0,0|1,1,0]=4 15997 B13R0.154 CC(C)SCC(=O)CCCCCCO 1458a_100000241585_100000766143 [0,2,0,0,0,0|1,1,0]=4 15998 B13R0.154 CC(O)CCC(=O)CCCCCCO 1458a_100011996774_100012276601 [0,2,0,0,0,0|2,0,0]=4 15999 B13R0.154 CC(O)CNC(=O)CCCCCCO 240690a_100000210904_100011996774 [0,2,0,0,0,0|2,0,0]=4 16000 B13R0.154 CCCCCCCC(=NNC(C)C)C 4a_100000741168_100000210596 [0,2,0,0,0,0|2,0,0]=4 16001 B13R0.154 CCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210614 [0,2,0,0,0,0|1,0,0]=3 16002 B13R0.154 CCCCCCCC(=O)CC=C(C)C 1458a_100000211969_100000761012 [0,2,0,0,0,0|1,0,1]=4 16003 B13R0.154 CCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210614 [0,2,0,0,0,0|1,0,1]=4 16004 B13R0.154 CCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210614 [0,2,0,0,0,0|1,0,1]=4 16005 B13R0.154 CCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210614 [0,2,0,0,0,0|1,0,0]=3 16006 B13R0.154 CCCCCCCC(=O)CCC(C)C 1458a_100000211969_100000210312 [0,2,0,0,0,0|1,0,0]=3 16007 B13R0.154 CCCCCCCC(=O)CCC(C)O 1458a_100000211969_100012276601 [0,2,0,0,0,0|1,0,0]=3 16008 B13R0.154 CCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210614 [0,2,0,0,0,0|2,0,0]=4 16009 B13R0.154 CCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210614 [0,2,0,0,0,0|1,0,0]=3 16010 B13R0.154 CCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210614 [0,2,0,0,0,0|1,0,1]=4 16011 B13R0.154 CCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210614 [0,2,0,0,0,0|0,0,1]=3 16012 B13R0.154 CCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210614 [0,2,0,0,0,0|0,0,0]=2 16013 B13R0.154 CCCCCCCC(=O)COC(F)F 1458a_200000719455_100000210614 [0,2,0,0,0,0|1,0,0]=3 16014 B13R0.154 CCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210614 [0,2,0,0,0,0|0,1,1]=4 16015 B13R0.154 CCCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210614 [0,2,0,0,0,0|0,1,0]=3 16016 B13R0.154 CCCCCCCC(=O)CSC(F)F 1458a_114828291038_100000210614 [0,2,0,0,0,0|1,1,0]=4 16017 B13R0.154 CCCCCCCC(=O)NCC(=O)C 1458a_100000691742_200000210301 [0,2,0,0,0,0|1,0,0]=3 16018 B13R0.154 CCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 16019 B13R0.154 CCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 16020 B13R0.154 CCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000211969 [0,2,0,0,0,0|1,0,1]=4 16021 B13R0.154 CCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100000691742_200025704644 [0,2,0,0,0,0|1,0,0]=3 16022 B13R0.154 CCCCCCCC(=O)NCC(C)C 11a_100000210953_100000211969 [0,2,0,0,0,0|1,0,0]=3 16023 B13R0.154 CCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000211969 [0,2,0,0,0,0|1,0,0]=3 16024 B13R0.154 CCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000211969 [0,2,0,0,0,0|1,0,0]=3 16025 B13R0.154 CCCCCCCC(=O)NCC(C)C 527a_100000210953_100000211969 [0,2,0,0,0,0|1,0,0]=3 16026 B13R0.154 CCCCCCCC(=O)NCC(C)O 11a_100000210904_100000211969 [0,2,0,0,0,0|1,0,0]=3 16027 B13R0.154 CCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000211969 [0,2,0,0,0,0|1,0,0]=3 16028 B13R0.154 CCCCCCCC(=O)NCC(C)O 527a_100000210904_100000211969 [0,2,0,0,0,0|1,0,0]=3 16029 B13R0.154 CCCCCCCC(=O)NCC(F)F 11a_100000765723_100000211969 [0,2,0,0,0,0|1,0,0]=3 16030 B13R0.154 CCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000211969 [0,2,0,0,0,0|1,0,0]=3 16031 B13R0.154 CCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000211969 [0,2,0,0,0,0|1,0,0]=3 16032 B13R0.154 CCCCCCCC(=O)NCC(F)F 527a_100000765723_100000211969 [0,2,0,0,0,0|1,0,0]=3 16033 B13R0.154 CCCCCCCC(=O)NNC(=O)C 22a_100000181853_100000070787 [0,2,0,0,0,0|1,0,1]=4 16034 B13R0.154 CCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000211969 [0,2,0,0,0,0|1,0,1]=4 16035 B13R0.154 CCCCCCCC(=O)NNC(C)C 22a_100000741168_100000211969 [0,2,0,0,0,0|1,0,0]=3 16036 B13R0.154 CCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100009852258 [0,2,0,0,0,0|0,0,0]=2 16037 B13R0.154 CCCCCCCC(=O)OCN(C)C 2230a_100102631434_100009852258 [0,2,0,0,0,0|0,0,0]=2 16038 B13R0.154 CCCCCCCC(=O)OCN(C)C 269982a_100102631434_100009852258 [0,2,0,0,0,0|0,0,0]=2 16039 B13R0.154 CCCCCCCC(C)OCC(=O)C 34a_100000211253_200011218727 [0,2,0,0,0,0|1,0,1]=4 16040 B13R0.154 CCCCCCCC(C)OCC(C)Br 34a_100012180447_200011218727 [0,2,0,0,0,0|1,0,1]=4 16041 B13R0.154 CCCCCCCC(C)OCC(C)C 34a_100000210257_200011218727 [0,2,0,0,0,0|1,0,1]=4 16042 B13R0.154 CCCCCCCC(C)OCC(C)C 34a_200011215852_100000210624 [0,2,0,0,0,0|1,0,1]=4 16043 B13R0.154 CCCCCCCC(C)OCC(C)C 7a_200011215852_100000210760 [0,2,0,0,0,0|1,0,1]=4 16044 B13R0.154 CCCCCCCC(C)OCC(C)F 34a_100015925927_200011218727 [0,2,0,0,0,0|1,0,1]=4 16045 B13R0.154 CCCCCCCC(C)OCC(C)O 34a_200011215852_100011218427 [0,2,0,0,0,0|1,0,1]=4 16046 B13R0.154 CCCCCCCC(C)OCC(C)O 7a_200011215852_100011218427 [0,2,0,0,0,0|1,0,1]=4 16047 B13R0.154 CCCCCCCC(C)OCC(F)F 34a_100000743014_200011218727 [0,2,0,0,0,0|1,0,1]=4 16048 B13R0.154 CCCCCCCC(C)OCC(F)F 34a_200011215852_100011934356 [0,2,0,0,0,0|1,0,1]=4 16049 B13R0.154 CCCCCCCC(C)OCC(F)F 7a_200011215852_100011934356 [0,2,0,0,0,0|1,0,1]=4 16050 B13R0.154 CCCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218727 [0,2,0,0,0,0|1,0,1]=4 16051 B13R0.154 CCCCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218727 [0,2,0,0,0,0|1,0,1]=4 16052 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 34a_200011215852_100009817552 [0,2,0,0,0,0|1,0,1]=4 16053 B13R0.154 CCCCCCCC(C)OC[C@@H](C)O 7a_200011215852_100009817552 [0,2,0,0,0,0|1,0,1]=4 16054 B13R0.154 CCCCCCCN(C)COC(C)C 2230a_100000228206_100000709892 [0,2,0,0,0,0|2,0,0]=4 16055 B13R0.154 CCCCCCCN(C)COC(C)C 269982a_100000228206_100000709892 [0,2,0,0,0,0|2,0,0]=4 16056 B13R0.154 CCCCCCNC(=O)C=CC(C)C 11a_100000210581_100016268746 [0,2,0,0,0,0|2,0,0]=4 16057 B13R0.154 CCCCCCNC(=O)C=CC(C)C 1626a_100000210581_100016268746 [0,2,0,0,0,0|2,0,0]=4 16058 B13R0.154 CCCCCCNC(=O)C=CC(C)C 240690a_100000210581_100016268746 [0,2,0,0,0,0|2,0,0]=4 16059 B13R0.154 CCCCCCNC(=O)CCC(C)C 11a_100000210581_100000181311 [0,2,0,0,0,0|2,0,0]=4 16060 B13R0.154 CCCCCCNC(=O)CCC(C)C 1626a_100000210581_100000181311 [0,2,0,0,0,0|2,0,0]=4 16061 B13R0.154 CCCCCCNC(=O)CCC(C)C 240690a_100000210581_100000181311 [0,2,0,0,0,0|2,0,0]=4 16062 B13R0.154 CCCCCCNC(=O)CCC(C)C 527a_100000210581_100000181311 [0,2,0,0,0,0|2,0,0]=4 16063 B13R0.154 CCCCCCNC(=O)CCC(C)O 1626a_100000210581_100000718519 [0,2,0,0,0,0|2,0,0]=4 16064 B13R0.154 CCCCCCNC(=O)CCN(C)C 11a_100000210581_100000689311 [0,2,0,0,0,0|2,0,0]=4 16065 B13R0.154 CCCCCCNC(=O)CCN(C)C 240690a_100000210581_100000689311 [0,2,0,0,0,0|2,0,0]=4 16066 B13R0.154 CCCCCCNC(=O)CCN(C)C 527a_100000210581_100000689311 [0,2,0,0,0,0|2,0,0]=4 16067 B13R0.154 CCCCCCNC(=O)CC[S+](C)C 11a_100000210581_100009452791 [0,2,0,0,0,0|2,0,0]=4 16068 B13R0.154 CCCCCCNC(=O)CC[S+](C)C 1626a_100000210581_100009452791 [0,2,0,0,0,0|2,0,0]=4 16069 B13R0.154 CCCCCCNC(=O)CC[S+](C)C 240690a_100000210581_100009452791 [0,2,0,0,0,0|2,0,0]=4 16070 B13R0.154 CCCCCCNC(=O)CNC(C)C 2230a_100138425928_100000230325 [0,2,0,0,0,0|2,0,0]=4 16071 B13R0.154 CCCCCCNC(=O)CNC(C)C 34a_100138425928_100000230325 [0,2,0,0,0,0|2,0,0]=4 16072 B13R0.154 CCCCCCNC(=O)COC(=O)C 1626a_100000210581_100000183556 [0,2,0,0,0,0|1,0,1]=4 16073 B13R0.154 CCCCCCNC(=O)COC(=O)C 240690a_100000210581_100000183556 [0,2,0,0,0,0|1,0,1]=4 16074 B13R0.154 CCCCCCNC(=O)COC(=O)C 527a_100000210581_100000183556 [0,2,0,0,0,0|1,0,1]=4 16075 B13R0.154 CCCCCCNC(=O)COC(C)C 11a_100000210581_100000745533 [0,2,0,0,0,0|1,0,0]=3 16076 B13R0.154 CCCCCCNC(=O)COC(C)C 1626a_100000210581_100000745533 [0,2,0,0,0,0|1,0,0]=3 16077 B13R0.154 CCCCCCNC(=O)COC(C)C 240690a_100000210581_100000745533 [0,2,0,0,0,0|1,0,0]=3 16078 B13R0.154 CCCCCCNC(=O)COC(C)C 34a_100000212225_100000230325 [0,2,0,0,0,0|1,0,0]=3 16079 B13R0.154 CCCCCCNC(=O)COC(C)C 527a_100000210581_100000745533 [0,2,0,0,0,0|1,0,0]=3 16080 B13R0.154 CCCCCCNC(=O)COC(F)F 11a_100000210581_200000719455 [0,2,0,0,0,0|2,0,0]=4 16081 B13R0.154 CCCCCCNC(=O)COC(F)F 1626a_100000210581_200000719455 [0,2,0,0,0,0|2,0,0]=4 16082 B13R0.154 CCCCCCNC(=O)COC(F)F 240690a_100000210581_200000719455 [0,2,0,0,0,0|2,0,0]=4 16083 B13R0.154 CCCCCCNC(=O)COC(F)F 527a_100000210581_200000719455 [0,2,0,0,0,0|2,0,0]=4 16084 B13R0.154 CCCCCCNC(=O)CSC(C)C 11a_100000210581_100000241585 [0,2,0,0,0,0|1,1,0]=4 16085 B13R0.154 CCCCCCNC(=O)CSC(C)C 1626a_100000210581_100000241585 [0,2,0,0,0,0|1,1,0]=4 16086 B13R0.154 CCCCCCNC(=O)CSC(C)C 240690a_100000210581_100000241585 [0,2,0,0,0,0|1,1,0]=4 16087 B13R0.154 CCCCCCNC(=O)CSC(C)C 527a_100000210581_100000241585 [0,2,0,0,0,0|1,1,0]=4 16088 B13R0.154 CCCCCCNC(=O)CSC(C)C 62a_100000230325_100000210206 [0,2,0,0,0,0|1,1,0]=4 16089 B13R0.154 CCCCCCNC(=O)NCC(C)C 2708a_100000210581_100000210953 [0,2,0,0,0,0|2,0,0]=4 16090 B13R0.154 CCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000210581 [0,2,0,0,0,0|2,0,0]=4 16091 B13R0.154 CCCCCCNC(=O)NCC(C)C 273464a_100000210581_100000210953 [0,2,0,0,0,0|2,0,0]=4 16092 B13R0.154 CCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000210581 [0,2,0,0,0,0|2,0,0]=4 16093 B13R0.154 CCCCCCNC(=O)NCC(C)C 512a_100000210581_100000210953 [0,2,0,0,0,0|2,0,0]=4 16094 B13R0.154 CCCCCCNC(=O)NCC(C)C 512a_100000210953_100000210581 [0,2,0,0,0,0|2,0,0]=4 16095 B13R0.154 CCCCCCNC(=O)NCC(C)O 2708a_100000210581_100000210904 [0,2,0,0,0,0|2,0,0]=4 16096 B13R0.154 CCCCCCNC(=O)NCC(C)O 273464a_100000210581_100000210904 [0,2,0,0,0,0|2,0,0]=4 16097 B13R0.154 CCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000210581 [0,2,0,0,0,0|2,0,0]=4 16098 B13R0.154 CCCCCCNC(=O)NCC(C)O 512a_100000210581_100000210904 [0,2,0,0,0,0|2,0,0]=4 16099 B13R0.154 CCCCCCNC(=O)NCC(C)O 512a_100000210904_100000210581 [0,2,0,0,0,0|2,0,0]=4 16100 B13R0.154 CCCCCCNC(=O)NCC(F)F 2708a_100000210581_100000765723 [0,2,0,0,0,0|2,0,0]=4 16101 B13R0.154 CCCCCCNC(=O)NCC(F)F 273464a_100000210581_100000765723 [0,2,0,0,0,0|2,0,0]=4 16102 B13R0.154 CCCCCCNC(=O)NCC(F)F 273464a_100000765723_100000210581 [0,2,0,0,0,0|2,0,0]=4 16103 B13R0.154 CCCCCCNC(=O)NCC(F)F 512a_100000210581_100000765723 [0,2,0,0,0,0|2,0,0]=4 16104 B13R0.154 CCCCCCNC(=O)NCC(F)F 512a_100000765723_100000210581 [0,2,0,0,0,0|2,0,0]=4 16105 B13R0.154 CCCCCCNC(=O)NNC(C)C 273464a_100000210581_100000741168 [0,2,0,0,0,0|2,0,0]=4 16106 B13R0.154 CCCCCCNC(=O)NNC(C)C 512a_100000210581_100000741168 [0,2,0,0,0,0|2,0,0]=4 16107 B13R0.154 CCCCCCNC(=O)NNC(C)C 512a_100000741168_100000210581 [0,2,0,0,0,0|2,0,0]=4 16108 B13R0.154 CCCCCNCC(=O)NCC(C)C 2230a_100000209983_100000183291 [0,2,0,0,0,0|2,0,0]=4 16109 B13R0.154 CCCCCNNC(=O)COC(C)C 22a_100000694160_100000745533 [0,2,0,0,0,0|2,0,0]=4 16110 B13R0.154 CCCCCOCC(=O)COC(=O)C 34a_100000210253_100000036994 [0,2,0,0,0,0|1,0,1]=4 16111 B13R0.154 CCCCCOCC(=O)NCC(C)C 34a_100000210253_100000183291 [0,2,0,0,0,0|2,0,0]=4 16112 B13R0.154 CCCCCOCC(=O)NCC(C)C 7a_100000210253_100000183291 [0,2,0,0,0,0|2,0,0]=4 16113 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210326 [0,2,0,0,0,0|1,0,1]=4 16114 B13R0.154 CCCCCSCC(=O)COC(=O)C 62a_100000210326_100000036994 [0,2,0,0,0,0|1,0,1]=4 16115 B13R0.154 CCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210326 [0,2,0,0,0,0|2,0,0]=4 16116 B13R0.154 CCCCCSCC(=O)NCC(C)C 62a_100000210326_100000183291 [0,2,0,0,0,0|2,0,0]=4 16117 B13R0.154 CCCCOCCC(=O)C=CC(C)C 1458a_100016268746_100000743108 [0,2,0,0,0,0|2,0,0]=4 16118 B13R0.154 CCCCOCCC(=O)CCC(C)C 1458a_100000181311_100000743108 [0,2,0,0,0,0|2,0,0]=4 16119 B13R0.154 CCCCOCCC(=O)CC[S+](C)C 1458a_100009452791_100000743108 [0,2,0,0,0,0|2,0,0]=4 16120 B13R0.154 CCCCOCCC(=O)COC(=O)C 1458a_100000183556_100000743108 [0,2,0,0,0,0|1,0,1]=4 16121 B13R0.154 CCCCOCCC(=O)COC(C)C 1458a_100000745533_100000743108 [0,2,0,0,0,0|1,0,0]=3 16122 B13R0.154 CCCCOCCC(=O)COC(F)F 1458a_200000719455_100000743108 [0,2,0,0,0,0|2,0,0]=4 16123 B13R0.154 CCCCOCCC(=O)CSC(C)C 1458a_100000241585_100000743108 [0,2,0,0,0,0|1,1,0]=4 16124 B13R0.154 CCCOCCCC(=O)NCC(C)C 34a_100000210258_100011194448 [0,2,0,0,0,0|2,0,0]=4 16125 B13R0.154 CCCOCCNC(=O)COC(C)C 1626a_100161115042_100000745533 [0,2,0,0,0,0|2,0,0]=4 16126 B13R0.154 CCCOCCNC(=O)COC(C)C 240690a_100161115042_100000745533 [0,2,0,0,0,0|2,0,0]=4 16127 B13R0.154 CCCOCCNC(=O)COC(C)C 527a_100161115042_100000745533 [0,2,0,0,0,0|2,0,0]=4 16128 B13R0.154 CCCSCCCC(=O)NCC(C)C 62a_100000210303_100011194448 [0,2,0,0,0,0|2,0,0]=4 16129 B13R0.154 CCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210303 [0,2,0,0,0,0|2,0,0]=4 16130 B13R0.154 CCCSCCNC(=O)COC(C)C 11a_100020603323_100000745533 [0,2,0,0,0,0|2,0,0]=4 16131 B13R0.154 CCCSCCNC(=O)COC(C)C 240690a_100020603323_100000745533 [0,2,0,0,0,0|2,0,0]=4 16132 B13R0.154 CCCSCCNC(=O)COC(C)C 527a_100020603323_100000745533 [0,2,0,0,0,0|2,0,0]=4 16133 B13R0.154 CCOCCCNC(=O)COC(C)C 11a_100000210961_100000745533 [0,2,0,0,0,0|2,0,0]=4 16134 B13R0.154 CCOCCCNC(=O)COC(C)C 1626a_100000210961_100000745533 [0,2,0,0,0,0|2,0,0]=4 16135 B13R0.154 CCOCCCNC(=O)COC(C)C 240690a_100000210961_100000745533 [0,2,0,0,0,0|2,0,0]=4 16136 B13R0.154 CCOCCCNC(=O)COC(C)C 527a_100000210961_100000745533 [0,2,0,0,0,0|2,0,0]=4 16137 B13R0.154 COCCCCCC(=O)CCC(C)C 1458a_100011935119_100000210312 [0,2,0,0,0,0|2,0,0]=4 16138 B13R0.154 COCCCCCC(=O)CCC(C)O 1458a_100011935119_100012276601 [0,2,0,0,0,0|2,0,0]=4 16139 B13R0.154 COCCCCCC(=O)NCC(C)C 11a_100000210953_100011935119 [0,2,0,0,0,0|2,0,0]=4 16140 B13R0.154 COCCCCCC(=O)NCC(C)C 1626a_100000210953_100011935119 [0,2,0,0,0,0|2,0,0]=4 16141 B13R0.154 COCCCCCC(=O)NCC(C)C 240690a_100000210953_100011935119 [0,2,0,0,0,0|2,0,0]=4 16142 B13R0.154 COCCCCCC(=O)NCC(C)C 527a_100000210953_100011935119 [0,2,0,0,0,0|2,0,0]=4 16143 B13R0.154 COCCCCCC(=O)NCC(C)O 11a_100000210904_100011935119 [0,2,0,0,0,0|2,0,0]=4 16144 B13R0.154 COCCCCCC(=O)NCC(C)O 240690a_100000210904_100011935119 [0,2,0,0,0,0|2,0,0]=4 16145 B13R0.154 COCCCCCC(=O)NCC(C)O 527a_100000210904_100011935119 [0,2,0,0,0,0|2,0,0]=4 16146 B13R0.154 COCCCCCC(=O)NCC(F)F 11a_100000765723_100011935119 [0,2,0,0,0,0|2,0,0]=4 16147 B13R0.154 COCCCCCC(=O)NCC(F)F 1626a_100000765723_100011935119 [0,2,0,0,0,0|2,0,0]=4 16148 B13R0.154 COCCCCCC(=O)NCC(F)F 240690a_100000765723_100011935119 [0,2,0,0,0,0|2,0,0]=4 16149 B13R0.154 COCCCCCC(=O)NCC(F)F 527a_100000765723_100011935119 [0,2,0,0,0,0|2,0,0]=4 16150 B13R0.154 COCCCCCC(=O)NNC(C)C 22a_100000741168_100011935119 [0,2,0,0,0,0|2,0,0]=4 16151 B13R0.154 COCCOCCC(=O)COC(C)C 1458a_100000745533_100000695917 [0,2,0,0,0,0|2,0,0]=4 16152 B13R0.154 C[S+](C)CCC(=O)CCCCCCF 1458a_100009452791_100015922095 [0,2,0,0,0,0|2,0,0]=4 16153 B13R0.154 C[S+](C)CCC(=O)CCCCCCO 1458a_100009452791_100000766143 [0,2,0,0,0,0|2,0,0]=4 16154 B13R0.154 O=C(CCCCCCF)COC(F)F 1458a_200000719455_100015922095 [0,2,0,0,0,0|2,0,0]=4 16155 B13R0.154 O=C(CCCCCCO)COC(F)F 1458a_200000719455_100000766143 [0,2,0,0,0,0|2,0,0]=4 16156 B13R0.154 O=C(CCCCCCO)NCC(F)F 240690a_100000765723_100011996774 [0,2,0,0,0,0|2,0,0]=4 16157 B13R0.195 C=C(CC(=O)CCCCC)OCOC 1458a_100000212188_100000042856 [0,2,0,0,0,0|1,0,1]=4 16158 B13R0.195 C=C(CN(C)CCCCC)OCOC 269982a_100000223495_100000042856 [0,2,0,0,0,0|2,0,0]=4 16159 B13R0.195 C=CCOC(=O)CC(=O)CCCCC 1458a_100000212188_100000033060 [0,2,0,0,0,0|0,0,2]=4 16160 B13R0.195 C=CCOC(=O)CN(C)CCCCC 2230a_100000223495_100000033060 [0,2,0,0,0,0|1,0,1]=4 16161 B13R0.195 C=CCOC(=O)CN(C)CCCCC 269982a_100000223495_100000033060 [0,2,0,0,0,0|1,0,1]=4 16162 B13R0.195 CCC#CC(=O)CC(=O)CCCCC 1458a_100011827653_200012276598 [0,2,0,0,0,0|1,0,1]=4 16163 B13R0.195 CCC=CC(=O)CC(=O)CCCCC 1458a_100000212282_200012276598 [0,2,0,0,0,0|1,0,1]=4 16164 B13R0.195 CCC=CC(=O)NC(C)CCCCC 11a_100000211957_100000212282 [0,2,0,0,0,0|2,0,0]=4 16165 B13R0.195 CCC=CC(=O)NC(C)CCCCC 1626a_100000211957_100000212282 [0,2,0,0,0,0|2,0,0]=4 16166 B13R0.195 CCC=CC(=O)NC(C)CCCCC 240690a_100000211957_100000212282 [0,2,0,0,0,0|2,0,0]=4 16167 B13R0.195 CCCCCC(=O)CC(=O)CCCC 1458a_100000210183_200012276598 [0,2,0,0,0,0|1,0,1]=4 16168 B13R0.195 CCCCCC(=O)CC(=O)CCOC 1458a_100000749529_200012276598 [0,2,0,0,0,0|1,0,1]=4 16169 B13R0.195 CCCCCC(=O)CC(=O)CCSC 1458a_100000174002_200012276598 [0,2,0,0,0,0|1,0,1]=4 16170 B13R0.195 CCCCCC(=O)CC(=O)COCC 1458a_100000211967_200012276598 [0,2,0,0,0,0|0,0,1]=3 16171 B13R0.195 CCCCCC(=O)CC(=O)CSCC 1458a_100000230394_200012276598 [0,2,0,0,0,0|0,1,1]=4 16172 B13R0.195 CCCCCC(=O)CC(=O)NCCC 1458a_100000212188_100000183358 [0,2,0,0,0,0|1,0,1]=4 16173 B13R0.195 CCCCCC(=O)CC(=O)OCCC 1458a_100000212188_200011215008 [0,2,0,0,0,0|0,0,1]=3 16174 B13R0.195 CCCCCC(C)NC(=O)CCCC 11a_100000211957_100000210183 [0,2,0,0,0,0|2,0,0]=4 16175 B13R0.195 CCCCCC(C)NC(=O)CCCC 1626a_100000211957_100000210183 [0,2,0,0,0,0|2,0,0]=4 16176 B13R0.195 CCCCCC(C)NC(=O)CCCC 240690a_100000211957_100000210183 [0,2,0,0,0,0|2,0,0]=4 16177 B13R0.195 CCCCCC(C)NC(=O)CCCC 527a_100000211957_100000210183 [0,2,0,0,0,0|2,0,0]=4 16178 B13R0.195 CCCCCC(C)NC(=O)CCOC 11a_100000211957_100000749529 [0,2,0,0,0,0|2,0,0]=4 16179 B13R0.195 CCCCCC(C)NC(=O)CCOC 1626a_100000211957_100000749529 [0,2,0,0,0,0|2,0,0]=4 16180 B13R0.195 CCCCCC(C)NC(=O)CCOC 240690a_100000211957_100000749529 [0,2,0,0,0,0|2,0,0]=4 16181 B13R0.195 CCCCCC(C)NC(=O)CCOC 527a_100000211957_100000749529 [0,2,0,0,0,0|2,0,0]=4 16182 B13R0.195 CCCCCC(C)NC(=O)CCSC 11a_100000211957_100000174002 [0,2,0,0,0,0|2,0,0]=4 16183 B13R0.195 CCCCCC(C)NC(=O)CCSC 1626a_100000211957_100000174002 [0,2,0,0,0,0|2,0,0]=4 16184 B13R0.195 CCCCCC(C)NC(=O)CCSC 240690a_100000211957_100000174002 [0,2,0,0,0,0|2,0,0]=4 16185 B13R0.195 CCCCCC(C)NC(=O)CCSC 527a_100000211957_100000174002 [0,2,0,0,0,0|2,0,0]=4 16186 B13R0.195 CCCCCC(C)NC(=O)CNCC 2230a_100015525214_100000230335 [0,2,0,0,0,0|2,0,0]=4 16187 B13R0.195 CCCCCC(C)NC(=O)COCC 11a_100000211957_100000211967 [0,2,0,0,0,0|1,0,0]=3 16188 B13R0.195 CCCCCC(C)NC(=O)COCC 1626a_100000211957_100000211967 [0,2,0,0,0,0|1,0,0]=3 16189 B13R0.195 CCCCCC(C)NC(=O)COCC 240690a_100000211957_100000211967 [0,2,0,0,0,0|1,0,0]=3 16190 B13R0.195 CCCCCC(C)NC(=O)COCC 34a_100121572206_100000230335 [0,2,0,0,0,0|1,0,0]=3 16191 B13R0.195 CCCCCC(C)NC(=O)COCC 527a_100000211957_100000211967 [0,2,0,0,0,0|1,0,0]=3 16192 B13R0.195 CCCCCC(C)NC(=O)CSCC 11a_100000211957_100000230394 [0,2,0,0,0,0|1,1,0]=4 16193 B13R0.195 CCCCCC(C)NC(=O)CSCC 1626a_100000211957_100000230394 [0,2,0,0,0,0|1,1,0]=4 16194 B13R0.195 CCCCCC(C)NC(=O)CSCC 240690a_100000211957_100000230394 [0,2,0,0,0,0|1,1,0]=4 16195 B13R0.195 CCCCCC(C)NC(=O)CSCC 527a_100000211957_100000230394 [0,2,0,0,0,0|1,1,0]=4 16196 B13R0.195 CCCCCC(C)NC(=O)CSCC 62a_100000210202_100000230335 [0,2,0,0,0,0|1,1,0]=4 16197 B13R0.195 CCCCCC(C)NC(=O)CSCC 62a_100000230335_100000210202 [0,2,0,0,0,0|1,1,0]=4 16198 B13R0.195 CCCCCC(C)NC(=O)NCCC 2708a_100000211957_100020643023 [0,2,0,0,0,0|2,0,0]=4 16199 B13R0.195 CCCCCC(C)NC(=O)NCCC 2708a_100020643023_100000211957 [0,2,0,0,0,0|2,0,0]=4 16200 B13R0.195 CCCCCC(C)NC(=O)NCCC 273464a_100000211957_100020643023 [0,2,0,0,0,0|2,0,0]=4 16201 B13R0.195 CCCCCC(C)NC(=O)NCCC 273464a_100020643023_100000211957 [0,2,0,0,0,0|2,0,0]=4 16202 B13R0.195 CCCCCC(C)NC(=O)NCCC 512a_100000211957_100020643023 [0,2,0,0,0,0|2,0,0]=4 16203 B13R0.195 CCCCCC(C)NC(=O)NCCC 512a_100020643023_100000211957 [0,2,0,0,0,0|2,0,0]=4 16204 B13R0.195 CCCCCC(C)NC(=O)NCCF 2708a_100000211957_100000724931 [0,2,0,0,0,0|2,0,0]=4 16205 B13R0.195 CCCCCC(C)NC(=O)NCCF 273464a_100000211957_100000724931 [0,2,0,0,0,0|2,0,0]=4 16206 B13R0.195 CCCCCC(C)NC(=O)NCCF 273464a_100000724931_100000211957 [0,2,0,0,0,0|2,0,0]=4 16207 B13R0.195 CCCCCC(C)NC(=O)NCCF 512a_100000211957_100000724931 [0,2,0,0,0,0|2,0,0]=4 16208 B13R0.195 CCCCCC(C)NC(=O)NCCO 2708a_100000211957_100000210304 [0,2,0,0,0,0|2,0,0]=4 16209 B13R0.195 CCCCCC(C)NC(=O)NCCO 273464a_100000210304_100000211957 [0,2,0,0,0,0|2,0,0]=4 16210 B13R0.195 CCCCCC(C)NC(=O)NCCO 273464a_100000211957_100000210304 [0,2,0,0,0,0|2,0,0]=4 16211 B13R0.195 CCCCCC(C)NC(=O)NCCO 512a_100000211957_100000210304 [0,2,0,0,0,0|2,0,0]=4 16212 B13R0.195 CCCCCC(C)NC(=O)NNCC 273464a_100000211957_100000756455 [0,2,0,0,0,0|2,0,0]=4 16213 B13R0.195 CCCCCC(C)NC(=O)NNCC 512a_100000211957_100000756455 [0,2,0,0,0,0|2,0,0]=4 16214 B13R0.195 CCCCCC(C)NC(=O)NNCC 512a_100000756455_100000211957 [0,2,0,0,0,0|2,0,0]=4 16215 B13R0.195 CCCCCC(C)OC(=O)CNCC 2230a_100015525214_200000092394 [0,2,0,0,0,0|2,0,0]=4 16216 B13R0.195 CCCCCC(C)OC(=O)COCC 34a_100121572206_200000092394 [0,2,0,0,0,0|1,0,0]=3 16217 B13R0.195 CCCCCC(C)OC(=O)CSCC 62a_100000210202_200000092394 [0,2,0,0,0,0|1,1,0]=4 16218 B13R0.195 CCCCCC(C)OC(=O)CSCC 62a_200000092394_100000210202 [0,2,0,0,0,0|1,1,0]=4 16219 B13R0.195 CCCCCN(C)CC(=O)NCCC 2230a_100000223495_100000183358 [0,2,0,0,0,0|2,0,0]=4 16220 B13R0.195 CCCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210326 [0,2,0,0,0,0|2,0,0]=4 16221 B13R0.195 CCCCCN(C)CC(=O)NCCC 269982a_100000223495_100000183358 [0,2,0,0,0,0|2,0,0]=4 16222 B13R0.195 CCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210215 [0,2,0,0,0,0|2,0,0]=4 16223 B13R0.195 CCCCCN(C)CC(=O)OCCC 2230a_100000223495_200011215008 [0,2,0,0,0,0|1,0,0]=3 16224 B13R0.195 CCCCCN(C)CC(=O)OCCC 269982a_100000223495_200011215008 [0,2,0,0,0,0|1,0,0]=3 16225 B13R0.195 CCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000182744 [0,2,0,0,0,0|1,0,1]=4 16226 B13R0.195 CCCCOC(=O)CC(=O)COCC 1458a_100000211967_100000211628 [0,2,0,0,0,0|1,0,1]=4 16227 B13R0.195 CCCOC(=O)CC(=O)CCCCO 1458a_100000695505_200011215008 [0,2,0,0,0,0|1,0,1]=4 16228 B13R0.195 CCCOC(=O)CC(=O)CCCOC 1458a_100000741012_200011215008 [0,2,0,0,0,0|1,0,1]=4 16229 B13R0.195 CCCOC(=O)CC(=O)CCCSC 1458a_100000173376_200011215008 [0,2,0,0,0,0|1,0,1]=4 16230 B13R0.195 CCCOC(=O)CC(=O)CCOCC 1458a_100000749530_200011215008 [0,2,0,0,0,0|1,0,1]=4 16231 B13R0.195 CCCOC(=O)CC(=O)CCSCC 1458a_100000230768_200011215008 [0,2,0,0,0,0|1,0,1]=4 16232 B13R0.195 CCCOC(=O)CC(=O)CSCCC 1458a_100000217233_200011215008 [0,2,0,0,0,0|1,0,1]=4 16233 B13R0.195 CCCOC(=O)CN(C)CCCCO 2230a_100000717598_200011215008 [0,2,0,0,0,0|2,0,0]=4 16234 B13R0.195 CCCOC(=O)CN(C)CCCCO 269982a_100000717598_200011215008 [0,2,0,0,0,0|2,0,0]=4 16235 B13R0.195 CCCOC(=O)CN(C)CCCOC 2230a_100000224831_200011215008 [0,2,0,0,0,0|2,0,0]=4 16236 B13R0.195 CCCOC(=O)CN(C)CCCOC 269982a_100000224831_200011215008 [0,2,0,0,0,0|2,0,0]=4 16237 B13R0.195 CCCOCC(=O)CC(=O)OCCC 1458a_100000745993_200011215008 [0,2,0,0,0,0|1,0,1]=4 16238 B13R0.338 C#CCCCC(=O)CCCCCCC 1458a_100000211969_100000731252 [0,2,0,0,0,0|1,0,0]=3 16239 B13R0.338 C#CCCCC(=O)CCCCCCC 1458a_100000690238_100000210614 [0,2,0,0,0,0|1,0,0]=3 16240 B13R0.338 C#CCCCC(=O)CCCCCCF 1458a_100000690238_100015922095 [0,2,0,0,0,0|2,0,0]=4 16241 B13R0.338 C#CCCCC(=O)CCCCCCO 1458a_100000690238_100000766143 [0,2,0,0,0,0|2,0,0]=4 16242 B13R0.338 C#CCCCC(=O)CCCCCCO 1458a_100011996774_100000731252 [0,2,0,0,0,0|2,0,0]=4 16243 B13R0.338 C#CCCCC(=O)CCCCCOC 1458a_100011935119_100000731252 [0,2,0,0,0,0|2,0,0]=4 16244 B13R0.338 C#CCCCC(=O)CCOCCCC 1458a_100000690238_100000743108 [0,2,0,0,0,0|2,0,0]=4 16245 B13R0.338 C#CCCCC(=O)NCCCCCC 11a_100000210581_100000690238 [0,2,0,0,0,0|2,0,0]=4 16246 B13R0.338 C#CCCCC(=O)NCCCCCC 1626a_100000210581_100000690238 [0,2,0,0,0,0|2,0,0]=4 16247 B13R0.338 C#CCCCC(=O)NCCCCCC 240690a_100000210581_100000690238 [0,2,0,0,0,0|2,0,0]=4 16248 B13R0.338 C#CCCCC(=O)NCCCCCC 527a_100000210581_100000690238 [0,2,0,0,0,0|2,0,0]=4 16249 B13R0.338 C#CCCCCCC(=O)C=COCC 1458a_100016266692_100012094781 [0,2,0,0,0,0|0,0,2]=4 16250 B13R0.338 C#CCCCCCC(=O)CCOCC 1458a_100000694772_100011215890 [0,2,0,0,0,0|0,0,2]=4 16251 B13R0.338 C#CCCCCCC(=O)CCOCC 1458a_100000749530_100012094781 [0,2,0,0,0,0|0,0,2]=4 16252 B13R0.338 C#CCCCCCC(=O)COCCC 1458a_100000745993_100012094781 [0,2,0,0,0,0|0,0,2]=4 16253 B13R0.338 C#CCCCCCC(=O)COCCO 1458a_100000708028_100012094781 [0,2,0,0,0,0|0,0,2]=4 16254 B13R0.338 C#CCCNC(=O)CCCCCCC 11a_100000755551_100000211969 [0,2,0,0,0,0|1,0,0]=3 16255 B13R0.338 C#CCCNC(=O)CCCCCCC 1626a_100000755551_100000211969 [0,2,0,0,0,0|1,0,0]=3 16256 B13R0.338 C#CCCNC(=O)CCCCCCC 240690a_100000755551_100000211969 [0,2,0,0,0,0|1,0,0]=3 16257 B13R0.338 C#CCCNC(=O)CCCCCCC 527a_100000755551_100000211969 [0,2,0,0,0,0|1,0,0]=3 16258 B13R0.338 C#CCCNC(=O)CCCCCCO 240690a_100000755551_100011996774 [0,2,0,0,0,0|2,0,0]=4 16259 B13R0.338 C#CCCNC(=O)CCCCCOC 11a_100000755551_100011935119 [0,2,0,0,0,0|2,0,0]=4 16260 B13R0.338 C#CCCNC(=O)CCCCCOC 1626a_100000755551_100011935119 [0,2,0,0,0,0|2,0,0]=4 16261 B13R0.338 C#CCCNC(=O)CCCCCOC 240690a_100000755551_100011935119 [0,2,0,0,0,0|2,0,0]=4 16262 B13R0.338 C#CCCNC(=O)CCCCCOC 527a_100000755551_100011935119 [0,2,0,0,0,0|2,0,0]=4 16263 B13R0.338 C#CCCNC(=O)NCCCCCC 2708a_100000210581_100000755551 [0,2,0,0,0,0|2,0,0]=4 16264 B13R0.338 C#CCCNC(=O)NCCCCCC 2708a_100000755551_100000210581 [0,2,0,0,0,0|2,0,0]=4 16265 B13R0.338 C#CCCNC(=O)NCCCCCC 273464a_100000210581_100000755551 [0,2,0,0,0,0|2,0,0]=4 16266 B13R0.338 C#CCCNC(=O)NCCCCCC 273464a_100000755551_100000210581 [0,2,0,0,0,0|2,0,0]=4 16267 B13R0.338 C#CCCNC(=O)NCCCCCC 512a_100000210581_100000755551 [0,2,0,0,0,0|2,0,0]=4 16268 B13R0.338 C#CCCNC(=O)NCCCCCC 512a_100000755551_100000210581 [0,2,0,0,0,0|2,0,0]=4 16269 B13R0.338 C#CCCOC(C)CCCCCCC 34a_100011215631_200011218727 [0,2,0,0,0,0|1,0,1]=4 16270 B13R0.338 C#CCCOC(C)CCCCCCC 34a_200011215852_100000688953 [0,2,0,0,0,0|1,0,1]=4 16271 B13R0.338 C#CCCOC(C)CCCCCCC 7a_200011215852_100000688953 [0,2,0,0,0,0|1,0,1]=4 16272 B13R0.338 C#CCOCC(=O)CCCCCCC 1458a_100011251226_100000210614 [0,2,0,0,0,0|0,0,1]=3 16273 B13R0.338 C#CCOCC(=O)CCCCCCF 1458a_100011251226_100015922095 [0,2,0,0,0,0|1,0,1]=4 16274 B13R0.338 C#CCOCC(=O)CCCCCCO 1458a_100011251226_100000766143 [0,2,0,0,0,0|1,0,1]=4 16275 B13R0.338 C#CCOCC(=O)CCOCCCC 1458a_100011251226_100000743108 [0,2,0,0,0,0|1,0,1]=4 16276 B13R0.338 C#CCOCC(=O)NCCCCCC 11a_100000210581_100011251226 [0,2,0,0,0,0|1,0,1]=4 16277 B13R0.338 C#CCOCC(=O)NCCCCCC 1626a_100000210581_100011251226 [0,2,0,0,0,0|1,0,1]=4 16278 B13R0.338 C#CCOCC(=O)NCCCCCC 34a_100000210247_100000230325 [0,2,0,0,0,0|1,0,1]=4 16279 B13R0.338 C#CCOCC(=O)NCCCCCC 527a_100000210581_100011251226 [0,2,0,0,0,0|1,0,1]=4 16280 B13R0.338 C/C=C/C=CC(=O)CCCCCCC 1458a_100000185730_100000210614 [0,2,0,0,0,0|1,0,1]=4 16281 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_100016270725_200011218727 [0,2,0,0,0,0|1,0,1]=4 16282 B13R0.338 C/C=C/COC(C)CCCCCCC 34a_200011215852_100102629194 [0,2,0,0,0,0|1,0,1]=4 16283 B13R0.338 C/C=C/COC(C)CCCCCCC 7a_200011215852_100102629194 [0,2,0,0,0,0|1,0,1]=4 16284 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000211969_100000757094 [0,2,0,0,0,0|1,0,0]=3 16285 B13R0.338 C=CCCCC(=O)CCCCCCC 1458a_100000766728_100000210614 [0,2,0,0,0,0|1,0,0]=3 16286 B13R0.338 C=CCCCC(=O)CCCCCCF 1458a_100000766728_100015922095 [0,2,0,0,0,0|2,0,0]=4 16287 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100000766728_100000766143 [0,2,0,0,0,0|2,0,0]=4 16288 B13R0.338 C=CCCCC(=O)CCCCCCO 1458a_100011996774_100000757094 [0,2,0,0,0,0|2,0,0]=4 16289 B13R0.338 C=CCCCC(=O)CCCCCOC 1458a_100011935119_100000757094 [0,2,0,0,0,0|2,0,0]=4 16290 B13R0.338 C=CCCCC(=O)CCOCCCC 1458a_100000766728_100000743108 [0,2,0,0,0,0|2,0,0]=4 16291 B13R0.338 C=CCCCC(=O)NCCCCCC 11a_100000210581_100000766728 [0,2,0,0,0,0|2,0,0]=4 16292 B13R0.338 C=CCCCC(=O)NCCCCCC 1626a_100000210581_100000766728 [0,2,0,0,0,0|2,0,0]=4 16293 B13R0.338 C=CCCCC(=O)NCCCCCC 240690a_100000210581_100000766728 [0,2,0,0,0,0|2,0,0]=4 16294 B13R0.338 C=CCCCC(=O)NCCCCCC 527a_100000210581_100000766728 [0,2,0,0,0,0|2,0,0]=4 16295 B13R0.338 C=CCCCCCC(=O)C=COCC 1458a_100016266692_100000700193 [0,2,0,0,0,0|0,0,2]=4 16296 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100000749530_100000700193 [0,2,0,0,0,0|0,0,2]=4 16297 B13R0.338 C=CCCCCCC(=O)CCOCC 1458a_100011934241_100011215890 [0,2,0,0,0,0|0,0,2]=4 16298 B13R0.338 C=CCCCCCC(=O)COCCC 1458a_100000745993_100000700193 [0,2,0,0,0,0|0,0,2]=4 16299 B13R0.338 C=CCCCCCC(=O)COCCO 1458a_100000708028_100000700193 [0,2,0,0,0,0|0,0,2]=4 16300 B13R0.338 C=CCCNC(=O)CCCCCCC 11a_100015191253_100000211969 [0,2,0,0,0,0|1,0,0]=3 16301 B13R0.338 C=CCCNC(=O)CCCCCCC 1626a_100015191253_100000211969 [0,2,0,0,0,0|1,0,0]=3 16302 B13R0.338 C=CCCNC(=O)CCCCCCC 240690a_100015191253_100000211969 [0,2,0,0,0,0|1,0,0]=3 16303 B13R0.338 C=CCCNC(=O)CCCCCCC 527a_100015191253_100000211969 [0,2,0,0,0,0|1,0,0]=3 16304 B13R0.338 C=CCCNC(=O)CCCCCCO 240690a_100015191253_100011996774 [0,2,0,0,0,0|2,0,0]=4 16305 B13R0.338 C=CCCNC(=O)CCCCCOC 11a_100015191253_100011935119 [0,2,0,0,0,0|2,0,0]=4 16306 B13R0.338 C=CCCNC(=O)CCCCCOC 1626a_100015191253_100011935119 [0,2,0,0,0,0|2,0,0]=4 16307 B13R0.338 C=CCCNC(=O)CCCCCOC 240690a_100015191253_100011935119 [0,2,0,0,0,0|2,0,0]=4 16308 B13R0.338 C=CCCNC(=O)CCCCCOC 527a_100015191253_100011935119 [0,2,0,0,0,0|2,0,0]=4 16309 B13R0.338 C=CCCNC(=O)NCCCCCC 2708a_100000210581_100015191253 [0,2,0,0,0,0|2,0,0]=4 16310 B13R0.338 C=CCCNC(=O)NCCCCCC 2708a_100015191253_100000210581 [0,2,0,0,0,0|2,0,0]=4 16311 B13R0.338 C=CCCNC(=O)NCCCCCC 273464a_100000210581_100015191253 [0,2,0,0,0,0|2,0,0]=4 16312 B13R0.338 C=CCCNC(=O)NCCCCCC 273464a_100015191253_100000210581 [0,2,0,0,0,0|2,0,0]=4 16313 B13R0.338 C=CCCNC(=O)NCCCCCC 512a_100000210581_100015191253 [0,2,0,0,0,0|2,0,0]=4 16314 B13R0.338 C=CCCNC(=O)NCCCCCC 512a_100015191253_100000210581 [0,2,0,0,0,0|2,0,0]=4 16315 B13R0.338 C=CCCOC(C)CCCCCCC 34a_100011205117_200011218727 [0,2,0,0,0,0|1,0,1]=4 16316 B13R0.338 C=CCCOC(C)CCCCCCC 34a_200011215852_100000754431 [0,2,0,0,0,0|1,0,1]=4 16317 B13R0.338 C=CCCOC(C)CCCCCCC 7a_200011215852_100000754431 [0,2,0,0,0,0|1,0,1]=4 16318 B13R0.338 C=CCNNC(=O)CCCCCCC 22a_100020588587_100000211969 [0,2,0,0,0,0|1,0,1]=4 16319 B13R0.338 C=CCOCC(=O)NCCCCCC 34a_200000210373_100000230325 [0,2,0,0,0,0|1,0,1]=4 16320 B13R0.338 C=CCSCC(=O)CCCCCCC 1458a_100000230395_100000210614 [0,2,0,0,0,0|0,1,1]=4 16321 B13R0.338 C=COCCC(=O)CCCCCCC 1458a_100000211969_100000039644 [0,2,0,0,0,0|0,0,2]=4 16322 B13R0.338 CC#CCNC(=O)CCCCCCC 11a_100000685387_100000211969 [0,2,0,0,0,0|1,0,0]=3 16323 B13R0.338 CC#CCNC(=O)CCCCCCC 1626a_100000685387_100000211969 [0,2,0,0,0,0|1,0,0]=3 16324 B13R0.338 CC#CCNC(=O)CCCCCCC 527a_100000685387_100000211969 [0,2,0,0,0,0|1,0,0]=3 16325 B13R0.338 CC#CCNC(=O)CCCCCOC 11a_100000685387_100011935119 [0,2,0,0,0,0|2,0,0]=4 16326 B13R0.338 CC#CCNC(=O)CCCCCOC 1626a_100000685387_100011935119 [0,2,0,0,0,0|2,0,0]=4 16327 B13R0.338 CC#CCNC(=O)CCCCCOC 527a_100000685387_100011935119 [0,2,0,0,0,0|2,0,0]=4 16328 B13R0.338 CC#CCNC(=O)NCCCCCC 2708a_100000210581_100000685387 [0,2,0,0,0,0|2,0,0]=4 16329 B13R0.338 CC#CCNC(=O)NCCCCCC 273464a_100000210581_100000685387 [0,2,0,0,0,0|2,0,0]=4 16330 B13R0.338 CC#CCNC(=O)NCCCCCC 273464a_100000685387_100000210581 [0,2,0,0,0,0|2,0,0]=4 16331 B13R0.338 CC#CCNC(=O)NCCCCCC 512a_100000210581_100000685387 [0,2,0,0,0,0|2,0,0]=4 16332 B13R0.338 CC#CCNC(=O)NCCCCCC 512a_100000685387_100000210581 [0,2,0,0,0,0|2,0,0]=4 16333 B13R0.338 CC#CCOC(C)CCCCCCC 34a_100000761923_200011218727 [0,2,0,0,0,0|1,0,1]=4 16334 B13R0.338 CC#CCOC(C)CCCCCCC 34a_200011215852_100000748600 [0,2,0,0,0,0|1,0,1]=4 16335 B13R0.338 CC#CCOC(C)CCCCCCC 7a_200011215852_100000748600 [0,2,0,0,0,0|1,0,1]=4 16336 B13R0.338 CC/C=C/CC(=O)CCCCCCC 1458a_100016274230_100000210614 [0,2,0,0,0,0|1,0,0]=3 16337 B13R0.338 CC/C=C/CC(=O)CCCCCCF 1458a_100016274230_100015922095 [0,2,0,0,0,0|2,0,0]=4 16338 B13R0.338 CC/C=C/CC(=O)CCCCCCO 1458a_100016274230_100000766143 [0,2,0,0,0,0|2,0,0]=4 16339 B13R0.338 CC/C=C/CC(=O)CCOCCCC 1458a_100016274230_100000743108 [0,2,0,0,0,0|2,0,0]=4 16340 B13R0.338 CC/C=C/CC(=O)NCCCCCC 11a_100000210581_100016274230 [0,2,0,0,0,0|2,0,0]=4 16341 B13R0.338 CC/C=C/CC(=O)NCCCCCC 1626a_100000210581_100016274230 [0,2,0,0,0,0|2,0,0]=4 16342 B13R0.338 CC/C=C/CC(=O)NCCCCCC 240690a_100000210581_100016274230 [0,2,0,0,0,0|2,0,0]=4 16343 B13R0.338 CC/C=C/CC(=O)NCCCCCC 527a_100000210581_100016274230 [0,2,0,0,0,0|2,0,0]=4 16344 B13R0.338 CC/C=C\CC(=O)CCCCCCC 1458a_100000211969_100103147603 [0,2,0,0,0,0|1,0,0]=3 16345 B13R0.338 CC/C=C\CC(=O)CCCCCCO 1458a_100011996774_100103147603 [0,2,0,0,0,0|2,0,0]=4 16346 B13R0.338 CC/C=C\CC(=O)CCCCCOC 1458a_100011935119_100103147603 [0,2,0,0,0,0|2,0,0]=4 16347 B13R0.338 CC=CCOC(C)CCCCCCC 34a_200011215852_100000070051 [0,2,0,0,0,0|1,0,1]=4 16348 B13R0.338 CC=CCOC(C)CCCCCCC 7a_200011215852_100000070051 [0,2,0,0,0,0|1,0,1]=4 16349 B13R0.338 CCC#CCC(=O)CCCCCCC 1458a_100000211969_100009813939 [0,2,0,0,0,0|1,0,0]=3 16350 B13R0.338 CCC#CCC(=O)CCCCCCO 1458a_100011996774_100009813939 [0,2,0,0,0,0|2,0,0]=4 16351 B13R0.338 CCC#CCC(=O)CCCCCOC 1458a_100011935119_100009813939 [0,2,0,0,0,0|2,0,0]=4 16352 B13R0.338 CCC=NNC(=O)CCCCCCC 4a_100000181853_100000210100 [0,2,0,0,0,0|1,0,0]=3 16353 B13R0.338 CCCC#CC(=O)CCCCCCC 1458a_200011218047_100000210614 [0,2,0,0,0,0|1,0,0]=3 16354 B13R0.338 CCCC#CC(=O)CCCCCCF 1458a_200011218047_100015922095 [0,2,0,0,0,0|2,0,0]=4 16355 B13R0.338 CCCC#CC(=O)CCCCCCO 1458a_200011218047_100000766143 [0,2,0,0,0,0|2,0,0]=4 16356 B13R0.338 CCCC#CC(=O)CCOCCCC 1458a_200011218047_100000743108 [0,2,0,0,0,0|2,0,0]=4 16357 B13R0.338 CCCC#CC(=O)NCCCCCC 240690a_100000210581_200011218047 [0,2,0,0,0,0|2,0,0]=4 16358 B13R0.338 CCCC/C=C/CC(=O)CCOCC 1458a_200016282684_100011215890 [0,2,0,0,0,0|0,0,2]=4 16359 B13R0.338 CCCC=CC(=O)CCCCCCC 1458a_100000212230_100000210614 [0,2,0,0,0,0|1,0,0]=3 16360 B13R0.338 CCCC=CC(=O)CCCCCCF 1458a_100000212230_100015922095 [0,2,0,0,0,0|2,0,0]=4 16361 B13R0.338 CCCC=CC(=O)CCCCCCO 1458a_100000212230_100000766143 [0,2,0,0,0,0|2,0,0]=4 16362 B13R0.338 CCCC=CC(=O)CCOCCCC 1458a_100000212230_100000743108 [0,2,0,0,0,0|2,0,0]=4 16363 B13R0.338 CCCC=CC(=O)NCCCCCC 11a_100000210581_100000212230 [0,2,0,0,0,0|2,0,0]=4 16364 B13R0.338 CCCC=CC(=O)NCCCCCC 1626a_100000210581_100000212230 [0,2,0,0,0,0|2,0,0]=4 16365 B13R0.338 CCCC=CC(=O)NCCCCCC 240690a_100000210581_100000212230 [0,2,0,0,0,0|2,0,0]=4 16366 B13R0.338 CCCCCC#CC(=O)CCOCC 1458a_100011215388_100011215890 [0,2,0,0,0,0|0,0,2]=4 16367 B13R0.338 CCCCCC(=O)CCCCCCF 1458a_100000212188_100015922095 [0,2,0,0,0,0|2,0,0]=4 16368 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100000212188_100000766143 [0,2,0,0,0,0|2,0,0]=4 16369 B13R0.338 CCCCCC(=O)CCCCCCO 1458a_100011996774_100000210326 [0,2,0,0,0,0|2,0,0]=4 16370 B13R0.338 CCCCCC(=O)CCCCCOC 1458a_100011935119_100000210326 [0,2,0,0,0,0|2,0,0]=4 16371 B13R0.338 CCCCCC(=O)CCOCCCC 1458a_100000212188_100000743108 [0,2,0,0,0,0|2,0,0]=4 16372 B13R0.338 CCCCCC=CC(=O)CCOCC 1458a_100016263427_100011215890 [0,2,0,0,0,0|0,0,2]=4 16373 B13R0.338 CCCCCCCC(=NNCCC)C 4a_100000740057_100000210596 [0,2,0,0,0,0|2,0,0]=4 16374 B13R0.338 CCCCCCCC(=NNCCO)C 4a_100000210001_100000210596 [0,2,0,0,0,0|2,0,0]=4 16375 B13R0.338 CCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210614 [0,2,0,0,0,0|1,0,0]=3 16376 B13R0.338 CCCCCCCC(=O)C=COCC 1458a_100016266692_100000210614 [0,2,0,0,0,0|0,0,0]=2 16377 B13R0.338 CCCCCCCC(=O)CC#CCO 1458a_100000211969_200000047223 [0,2,0,0,0,0|1,0,1]=4 16378 B13R0.338 CCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210614 [0,2,0,0,0,0|1,0,0]=3 16379 B13R0.338 CCCCCCCC(=O)CCCC#N 1458a_100000211969_100000211468 [0,2,0,0,0,0|1,0,0]=3 16380 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000211969_100000210326 [0,2,0,0,0,0|1,0,0]=3 16381 B13R0.338 CCCCCCCC(=O)CCCCC 1458a_100000212188_100000210614 [0,2,0,0,0,0|1,0,0]=3 16382 B13R0.338 CCCCCCCC(=O)CCCCF 1458a_100000211969_100000729493 [0,2,0,0,0,0|1,0,0]=3 16383 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000211969_100000210776 [0,2,0,0,0,0|1,0,0]=3 16384 B13R0.338 CCCCCCCC(=O)CCCCO 1458a_100000695505_100000210614 [0,2,0,0,0,0|1,0,0]=3 16385 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000211969_100000740836 [0,2,0,0,0,0|1,0,0]=3 16386 B13R0.338 CCCCCCCC(=O)CCCOC 1458a_100000741012_100000210614 [0,2,0,0,0,0|1,0,0]=3 16387 B13R0.338 CCCCCCCC(=O)CCCSC 1458a_100000173376_100000210614 [0,2,0,0,0,0|1,0,0]=3 16388 B13R0.338 CCCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210614 [0,2,0,0,0,0|2,0,0]=4 16389 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [0,2,0,0,0,0|0,0,0]=2 16390 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [0,2,0,0,0,0|0,0,0]=2 16391 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000211969_100000757381 [0,2,0,0,0,0|0,1,0]=3 16392 B13R0.338 CCCCCCCC(=O)CCSCC 1458a_100000230768_100000210614 [0,2,0,0,0,0|0,1,0]=3 16393 B13R0.338 CCCCCCCC(=O)COCCC 1458a_100000745993_100000210614 [0,2,0,0,0,0|0,0,0]=2 16394 B13R0.338 CCCCCCCC(=O)COCCO 1458a_100000708028_100000210614 [0,2,0,0,0,0|0,0,0]=2 16395 B13R0.338 CCCCCCCC(=O)CSCC#N 1458a_100000150266_100000210614 [0,2,0,0,0,0|0,1,1]=4 16396 B13R0.338 CCCCCCCC(=O)CSCCC 1458a_100000217233_100000210614 [0,2,0,0,0,0|0,1,0]=3 16397 B13R0.338 CCCCCCCC(=O)NCCC#N 11a_100000720768_100000211969 [0,2,0,0,0,0|1,0,0]=3 16398 B13R0.338 CCCCCCCC(=O)NCCC#N 1626a_100000720768_100000211969 [0,2,0,0,0,0|1,0,0]=3 16399 B13R0.338 CCCCCCCC(=O)NCCC#N 240690a_100000720768_100000211969 [0,2,0,0,0,0|1,0,0]=3 16400 B13R0.338 CCCCCCCC(=O)NCCC#N 527a_100000720768_100000211969 [0,2,0,0,0,0|1,0,0]=3 16401 B13R0.338 CCCCCCCC(=O)NCCCC 11a_100000102301_100000211969 [0,2,0,0,0,0|1,0,0]=3 16402 B13R0.338 CCCCCCCC(=O)NCCCC 1626a_100000102301_100000211969 [0,2,0,0,0,0|1,0,0]=3 16403 B13R0.338 CCCCCCCC(=O)NCCCC 240690a_100000102301_100000211969 [0,2,0,0,0,0|1,0,0]=3 16404 B13R0.338 CCCCCCCC(=O)NCCCC 527a_100000102301_100000211969 [0,2,0,0,0,0|1,0,0]=3 16405 B13R0.338 CCCCCCCC(=O)NCCCF 11a_100015189416_100000211969 [0,2,0,0,0,0|1,0,0]=3 16406 B13R0.338 CCCCCCCC(=O)NCCCF 1626a_100015189416_100000211969 [0,2,0,0,0,0|1,0,0]=3 16407 B13R0.338 CCCCCCCC(=O)NCCCF 240690a_100015189416_100000211969 [0,2,0,0,0,0|1,0,0]=3 16408 B13R0.338 CCCCCCCC(=O)NCCCF 527a_100015189416_100000211969 [0,2,0,0,0,0|1,0,0]=3 16409 B13R0.338 CCCCCCCC(=O)NCCCO 240690a_100000182051_100000211969 [0,2,0,0,0,0|1,0,0]=3 16410 B13R0.338 CCCCCCCC(=O)NCCCO 527a_100000182051_100000211969 [0,2,0,0,0,0|1,0,0]=3 16411 B13R0.338 CCCCCCCC(=O)NCCOC 1626a_100000209980_100000211969 [0,2,0,0,0,0|1,0,0]=3 16412 B13R0.338 CCCCCCCC(=O)NCCOC 240690a_100000209980_100000211969 [0,2,0,0,0,0|1,0,0]=3 16413 B13R0.338 CCCCCCCC(=O)NCCOC 527a_100000209980_100000211969 [0,2,0,0,0,0|1,0,0]=3 16414 B13R0.338 CCCCCCCC(=O)NCCSC 11a_100020590264_100000211969 [0,2,0,0,0,0|1,0,0]=3 16415 B13R0.338 CCCCCCCC(=O)NCCSC 1626a_100020590264_100000211969 [0,2,0,0,0,0|1,0,0]=3 16416 B13R0.338 CCCCCCCC(=O)NCCSC 240690a_100020590264_100000211969 [0,2,0,0,0,0|1,0,0]=3 16417 B13R0.338 CCCCCCCC(=O)NCCSC 527a_100020590264_100000211969 [0,2,0,0,0,0|1,0,0]=3 16418 B13R0.338 CCCCCCCC(=O)NNCCC 22a_100000740057_100000211969 [0,2,0,0,0,0|1,0,0]=3 16419 B13R0.338 CCCCCCCC(=O)NNCCO 22a_100000210001_100000211969 [0,2,0,0,0,0|1,0,0]=3 16420 B13R0.338 CCCCCCCC(=O)OCNCC 2230a_100015525214_100009852258 [0,2,0,0,0,0|0,0,0]=2 16421 B13R0.338 CCCCCCCC(=O)OCOCC 34a_100121572206_100009852258 [0,2,0,0,0,0|0,0,0]=2 16422 B13R0.338 CCCCCCCC(=O)OCSCC 62a_100000210202_100009852258 [0,2,0,0,0,0|0,0,0]=2 16423 B13R0.338 CCCCCCCC(=O)OCSCF 62a_100015361967_100009852258 [0,2,0,0,0,0|0,0,0]=2 16424 B13R0.338 CCCCCCCC(C)OCCC#N 7a_200011215852_100000184422 [0,2,0,0,0,0|1,0,1]=4 16425 B13R0.338 CCCCCCCC(C)OCCCBr 34a_100011217188_200011218727 [0,2,0,0,0,0|1,0,1]=4 16426 B13R0.338 CCCCCCCC(C)OCCCC 34a_100000210227_200011218727 [0,2,0,0,0,0|1,0,1]=4 16427 B13R0.338 CCCCCCCC(C)OCCCC 34a_200011215852_100000210210 [0,2,0,0,0,0|1,0,1]=4 16428 B13R0.338 CCCCCCCC(C)OCCCC 7a_100000210227_200011218727 [0,2,0,0,0,0|1,0,1]=4 16429 B13R0.338 CCCCCCCC(C)OCCCC 7a_200011215852_100000210211 [0,2,0,0,0,0|1,0,1]=4 16430 B13R0.338 CCCCCCCC(C)OCCCCl 34a_100000230001_200011218727 [0,2,0,0,0,0|1,0,1]=4 16431 B13R0.338 CCCCCCCC(C)OCCCF 34a_100000759539_200011218727 [0,2,0,0,0,0|1,0,1]=4 16432 B13R0.338 CCCCCCCC(C)OCCCF 34a_200011215852_100011934791 [0,2,0,0,0,0|1,0,1]=4 16433 B13R0.338 CCCCCCCC(C)OCCCF 7a_200011215852_100011934791 [0,2,0,0,0,0|1,0,1]=4 16434 B13R0.338 CCCCCCCC(C)OCCCN 34a_100000182051_200011218727 [0,2,0,0,0,0|1,0,1]=4 16435 B13R0.338 CCCCCCCC(C)OCCCO 34a_200011215852_100000230001 [0,2,0,0,0,0|1,0,1]=4 16436 B13R0.338 CCCCCCCC(C)OCCCO 7a_200011215852_100011215043 [0,2,0,0,0,0|1,0,1]=4 16437 B13R0.338 CCCCCCCC(C)OCCOC 34a_100000210237_200011218727 [0,2,0,0,0,0|1,0,1]=4 16438 B13R0.338 CCCCCCCC(C)OCCOC 34a_200011215852_100011201679 [0,2,0,0,0,0|1,0,1]=4 16439 B13R0.338 CCCCCCCC(C)OCCOC 7a_200011215852_100000233755 [0,2,0,0,0,0|1,0,1]=4 16440 B13R0.338 CCCCCCCC(C)OCCON 34a_100000700252_200011218727 [0,2,0,0,0,0|1,0,1]=4 16441 B13R0.338 CCCCCCCC(C)OCCSC 34a_100000230434_200011218727 [0,2,0,0,0,0|1,0,1]=4 16442 B13R0.338 CCCCCCCC(C)OCCSC 34a_200011215852_100000212216 [0,2,0,0,0,0|1,0,1]=4 16443 B13R0.338 CCCCCCCC(C)OCCSC 7a_100000230434_200011218727 [0,2,0,0,0,0|1,0,1]=4 16444 B13R0.338 CCCCCCCC(C)OCCSC 7a_200011215852_100000212216 [0,2,0,0,0,0|1,0,1]=4 16445 B13R0.338 CCCCCCCC(C)SCOCC 62a_100000739092_200011218727 [0,2,0,0,0,0|1,0,1]=4 16446 B13R0.338 CCCCCCCC(C)SCOCC 62a_200011218727_100000739092 [0,2,0,0,0,0|1,0,1]=4 16447 B13R0.338 CCCCCCCN(C)CCOCC 2230a_100000228206_100011215890 [0,2,0,0,0,0|2,0,0]=4 16448 B13R0.338 CCCCCCCN(C)CCOCC 269982a_100000228206_100011215890 [0,2,0,0,0,0|2,0,0]=4 16449 B13R0.338 CCCCCCNC(=O)C=CCOC 11a_100000210581_100016285016 [0,2,0,0,0,0|2,0,0]=4 16450 B13R0.338 CCCCCCNC(=O)C=CCOC 1626a_100000210581_100016285016 [0,2,0,0,0,0|2,0,0]=4 16451 B13R0.338 CCCCCCNC(=O)C=CCOC 240690a_100000210581_100016285016 [0,2,0,0,0,0|2,0,0]=4 16452 B13R0.338 CCCCCCNC(=O)C=COCC 11a_100000210581_100016266692 [0,2,0,0,0,0|1,0,0]=3 16453 B13R0.338 CCCCCCNC(=O)C=COCC 1626a_100000210581_100016266692 [0,2,0,0,0,0|1,0,0]=3 16454 B13R0.338 CCCCCCNC(=O)C=COCC 240690a_100000210581_100016266692 [0,2,0,0,0,0|1,0,0]=3 16455 B13R0.338 CCCCCCNC(=O)CCCC#N 11a_100000210581_100000075515 [0,2,0,0,0,0|2,0,0]=4 16456 B13R0.338 CCCCCCNC(=O)CCCC#N 1626a_100000210581_100000075515 [0,2,0,0,0,0|2,0,0]=4 16457 B13R0.338 CCCCCCNC(=O)CCCC#N 240690a_100000210581_100000075515 [0,2,0,0,0,0|2,0,0]=4 16458 B13R0.338 CCCCCCNC(=O)CCCC#N 527a_100000210581_100000075515 [0,2,0,0,0,0|2,0,0]=4 16459 B13R0.338 CCCCCCNC(=O)CCCCC 11a_100000210581_100000212188 [0,2,0,0,0,0|2,0,0]=4 16460 B13R0.338 CCCCCCNC(=O)CCCCC 1626a_100000210581_100000212188 [0,2,0,0,0,0|2,0,0]=4 16461 B13R0.338 CCCCCCNC(=O)CCCCC 240690a_100000210581_100000212188 [0,2,0,0,0,0|2,0,0]=4 16462 B13R0.338 CCCCCCNC(=O)CCCCC 527a_100000210581_100000212188 [0,2,0,0,0,0|2,0,0]=4 16463 B13R0.338 CCCCCCNC(=O)CCCCO 1626a_100000210581_100000695505 [0,2,0,0,0,0|2,0,0]=4 16464 B13R0.338 CCCCCCNC(=O)CCCOC 11a_100000210581_100000741012 [0,2,0,0,0,0|2,0,0]=4 16465 B13R0.338 CCCCCCNC(=O)CCCOC 1626a_100000210581_100000741012 [0,2,0,0,0,0|2,0,0]=4 16466 B13R0.338 CCCCCCNC(=O)CCCOC 240690a_100000210581_100000741012 [0,2,0,0,0,0|2,0,0]=4 16467 B13R0.338 CCCCCCNC(=O)CCCOC 527a_100000210581_100000741012 [0,2,0,0,0,0|2,0,0]=4 16468 B13R0.338 CCCCCCNC(=O)CCCSC 11a_100000210581_100000173376 [0,2,0,0,0,0|2,0,0]=4 16469 B13R0.338 CCCCCCNC(=O)CCCSC 1626a_100000210581_100000173376 [0,2,0,0,0,0|2,0,0]=4 16470 B13R0.338 CCCCCCNC(=O)CCCSC 240690a_100000210581_100000173376 [0,2,0,0,0,0|2,0,0]=4 16471 B13R0.338 CCCCCCNC(=O)CCCSC 527a_100000210581_100000173376 [0,2,0,0,0,0|2,0,0]=4 16472 B13R0.338 CCCCCCNC(=O)CCOCC 11a_100000210581_100000749530 [0,2,0,0,0,0|1,0,0]=3 16473 B13R0.338 CCCCCCNC(=O)CCOCC 1626a_100000210581_100000749530 [0,2,0,0,0,0|1,0,0]=3 16474 B13R0.338 CCCCCCNC(=O)CCOCC 240690a_100000210581_100000749530 [0,2,0,0,0,0|1,0,0]=3 16475 B13R0.338 CCCCCCNC(=O)CCOCC 527a_100000210581_100000749530 [0,2,0,0,0,0|1,0,0]=3 16476 B13R0.338 CCCCCCNC(=O)CCSCC 11a_100000210581_100000230768 [0,2,0,0,0,0|1,1,0]=4 16477 B13R0.338 CCCCCCNC(=O)CCSCC 1626a_100000210581_100000230768 [0,2,0,0,0,0|1,1,0]=4 16478 B13R0.338 CCCCCCNC(=O)CCSCC 240690a_100000210581_100000230768 [0,2,0,0,0,0|1,1,0]=4 16479 B13R0.338 CCCCCCNC(=O)CCSCC 527a_100000210581_100000230768 [0,2,0,0,0,0|1,1,0]=4 16480 B13R0.338 CCCCCCNC(=O)CNCCF 34a_100000724931_100000230325 [0,2,0,0,0,0|2,0,0]=4 16481 B13R0.338 CCCCCCNC(=O)CNCCO 2230a_100016997473_100000230325 [0,2,0,0,0,0|2,0,0]=4 16482 B13R0.338 CCCCCCNC(=O)CNCCO 34a_100016990907_100000230325 [0,2,0,0,0,0|2,0,0]=4 16483 B13R0.338 CCCCCCNC(=O)COCCBr 34a_100000211926_100000230325 [0,2,0,0,0,0|1,0,0]=3 16484 B13R0.338 CCCCCCNC(=O)COCCC 11a_100000210581_100000745993 [0,2,0,0,0,0|1,0,0]=3 16485 B13R0.338 CCCCCCNC(=O)COCCC 1626a_100000210581_100000745993 [0,2,0,0,0,0|1,0,0]=3 16486 B13R0.338 CCCCCCNC(=O)COCCC 240690a_100000210581_100000745993 [0,2,0,0,0,0|1,0,0]=3 16487 B13R0.338 CCCCCCNC(=O)COCCC 34a_100000210258_100000230325 [0,2,0,0,0,0|1,0,0]=3 16488 B13R0.338 CCCCCCNC(=O)COCCC 527a_100000210581_100000745993 [0,2,0,0,0,0|1,0,0]=3 16489 B13R0.338 CCCCCCNC(=O)COCCN 34a_100000210304_100000230325 [0,2,0,0,0,0|1,0,0]=3 16490 B13R0.338 CCCCCCNC(=O)COCCO 1626a_100000210581_100000708028 [0,2,0,0,0,0|1,0,0]=3 16491 B13R0.338 CCCCCCNC(=O)COCCO 240690a_100000210581_100000708028 [0,2,0,0,0,0|1,0,0]=3 16492 B13R0.338 CCCCCCNC(=O)CSCCC 11a_100000210581_100000217233 [0,2,0,0,0,0|1,1,0]=4 16493 B13R0.338 CCCCCCNC(=O)CSCCC 1626a_100000210581_100000217233 [0,2,0,0,0,0|1,1,0]=4 16494 B13R0.338 CCCCCCNC(=O)CSCCC 240690a_100000210581_100000217233 [0,2,0,0,0,0|1,1,0]=4 16495 B13R0.338 CCCCCCNC(=O)CSCCC 527a_100000210581_100000217233 [0,2,0,0,0,0|1,1,0]=4 16496 B13R0.338 CCCCCCNC(=O)CSCCC 62a_100000230325_100000210303 [0,2,0,0,0,0|1,1,0]=4 16497 B13R0.338 CCCCCCNC(=O)CSCCF 62a_100000230325_100011217306 [0,2,0,0,0,0|1,1,0]=4 16498 B13R0.338 CCCCCCNC(=O)CSCCO 62a_100000230325_100000211926 [0,2,0,0,0,0|1,1,0]=4 16499 B13R0.338 CCCCCCNC(=O)CSCOC 62a_100000230325_100000766300 [0,2,0,0,0,0|1,1,0]=4 16500 B13R0.338 CCCCCCNC(=O)CSCSC 62a_100000230325_100011218213 [0,2,0,0,0,0|1,1,0]=4 16501 B13R0.338 CCCCCCNC(=O)NCCC#N 2708a_100000210581_100000720768 [0,2,0,0,0,0|2,0,0]=4 16502 B13R0.338 CCCCCCNC(=O)NCCC#N 2708a_100000720768_100000210581 [0,2,0,0,0,0|2,0,0]=4 16503 B13R0.338 CCCCCCNC(=O)NCCC#N 273464a_100000210581_100000720768 [0,2,0,0,0,0|2,0,0]=4 16504 B13R0.338 CCCCCCNC(=O)NCCC#N 273464a_100000720768_100000210581 [0,2,0,0,0,0|2,0,0]=4 16505 B13R0.338 CCCCCCNC(=O)NCCC#N 512a_100000210581_100000720768 [0,2,0,0,0,0|2,0,0]=4 16506 B13R0.338 CCCCCCNC(=O)NCCC#N 512a_100000720768_100000210581 [0,2,0,0,0,0|2,0,0]=4 16507 B13R0.338 CCCCCCNC(=O)NCCCC 2708a_100000102301_100000210581 [0,2,0,0,0,0|2,0,0]=4 16508 B13R0.338 CCCCCCNC(=O)NCCCC 2708a_100000210581_100000102301 [0,2,0,0,0,0|2,0,0]=4 16509 B13R0.338 CCCCCCNC(=O)NCCCC 273464a_100000102301_100000210581 [0,2,0,0,0,0|2,0,0]=4 16510 B13R0.338 CCCCCCNC(=O)NCCCC 273464a_100000210581_100000102301 [0,2,0,0,0,0|2,0,0]=4 16511 B13R0.338 CCCCCCNC(=O)NCCCC 512a_100000102301_100000210581 [0,2,0,0,0,0|2,0,0]=4 16512 B13R0.338 CCCCCCNC(=O)NCCCC 512a_100000210581_100000102301 [0,2,0,0,0,0|2,0,0]=4 16513 B13R0.338 CCCCCCNC(=O)NCCCF 2708a_100000210581_100015189416 [0,2,0,0,0,0|2,0,0]=4 16514 B13R0.338 CCCCCCNC(=O)NCCCF 2708a_100015189416_100000210581 [0,2,0,0,0,0|2,0,0]=4 16515 B13R0.338 CCCCCCNC(=O)NCCCF 273464a_100000210581_100015189416 [0,2,0,0,0,0|2,0,0]=4 16516 B13R0.338 CCCCCCNC(=O)NCCCF 273464a_100015189416_100000210581 [0,2,0,0,0,0|2,0,0]=4 16517 B13R0.338 CCCCCCNC(=O)NCCCF 512a_100000210581_100015189416 [0,2,0,0,0,0|2,0,0]=4 16518 B13R0.338 CCCCCCNC(=O)NCCCF 512a_100015189416_100000210581 [0,2,0,0,0,0|2,0,0]=4 16519 B13R0.338 CCCCCCNC(=O)NCCCO 2708a_100000210581_100000182051 [0,2,0,0,0,0|2,0,0]=4 16520 B13R0.338 CCCCCCNC(=O)NCCCO 273464a_100000182051_100000210581 [0,2,0,0,0,0|2,0,0]=4 16521 B13R0.338 CCCCCCNC(=O)NCCCO 273464a_100000210581_100000182051 [0,2,0,0,0,0|2,0,0]=4 16522 B13R0.338 CCCCCCNC(=O)NCCCO 512a_100000210581_100000182051 [0,2,0,0,0,0|2,0,0]=4 16523 B13R0.338 CCCCCCNC(=O)NCCOC 2708a_100000210581_100000209980 [0,2,0,0,0,0|2,0,0]=4 16524 B13R0.338 CCCCCCNC(=O)NCCOC 273464a_100000209980_100000210581 [0,2,0,0,0,0|2,0,0]=4 16525 B13R0.338 CCCCCCNC(=O)NCCOC 273464a_100000210581_100000209980 [0,2,0,0,0,0|2,0,0]=4 16526 B13R0.338 CCCCCCNC(=O)NCCSC 2708a_100000210581_100020590264 [0,2,0,0,0,0|2,0,0]=4 16527 B13R0.338 CCCCCCNC(=O)NCCSC 2708a_100020590264_100000210581 [0,2,0,0,0,0|2,0,0]=4 16528 B13R0.338 CCCCCCNC(=O)NCCSC 273464a_100000210581_100020590264 [0,2,0,0,0,0|2,0,0]=4 16529 B13R0.338 CCCCCCNC(=O)NCCSC 273464a_100020590264_100000210581 [0,2,0,0,0,0|2,0,0]=4 16530 B13R0.338 CCCCCCNC(=O)NCCSC 512a_100000210581_100020590264 [0,2,0,0,0,0|2,0,0]=4 16531 B13R0.338 CCCCCCNC(=O)NCCSC 512a_100020590264_100000210581 [0,2,0,0,0,0|2,0,0]=4 16532 B13R0.338 CCCCCCNC(=O)NNCCC 273464a_100000210581_100000740057 [0,2,0,0,0,0|2,0,0]=4 16533 B13R0.338 CCCCCCNC(=O)NNCCC 512a_100000210581_100000740057 [0,2,0,0,0,0|2,0,0]=4 16534 B13R0.338 CCCCCCNC(=O)NNCCC 512a_100000740057_100000210581 [0,2,0,0,0,0|2,0,0]=4 16535 B13R0.338 CCCCCCNC(=O)NNCCO 273464a_100000210581_100000210001 [0,2,0,0,0,0|2,0,0]=4 16536 B13R0.338 CCCCCCNC(=O)NNCCO 512a_100000210581_100000210001 [0,2,0,0,0,0|2,0,0]=4 16537 B13R0.338 CCCCCNCC(=O)CCCCC 2230a_100000209983_200012276598 [0,2,0,0,0,0|2,0,0]=4 16538 B13R0.338 CCCCCNCC(=O)NCCCC 2230a_100000209983_100000182744 [0,2,0,0,0,0|2,0,0]=4 16539 B13R0.338 CCCCCNCC(=O)NCCOC 2230a_100000209983_100000183275 [0,2,0,0,0,0|2,0,0]=4 16540 B13R0.338 CCCCCNCC(=O)NCCOC 2230a_100000754632_100000210326 [0,2,0,0,0,0|2,0,0]=4 16541 B13R0.338 CCCCCNCC(=O)OCCCC 2230a_100000209983_100000211628 [0,2,0,0,0,0|1,0,0]=3 16542 B13R0.338 CCCCCNCC(=O)OCCOC 2230a_100000209983_200000040189 [0,2,0,0,0,0|1,0,0]=3 16543 B13R0.338 CCCCCNNC(=O)C=COCC 22a_100000694160_100016266692 [0,2,0,0,0,0|2,0,0]=4 16544 B13R0.338 CCCCCNNC(=O)CCOCC 22a_100000694160_100000749530 [0,2,0,0,0,0|2,0,0]=4 16545 B13R0.338 CCCCCNNC(=O)COCCC 22a_100000694160_100000745993 [0,2,0,0,0,0|2,0,0]=4 16546 B13R0.338 CCCCCOCC(=O)CCCCC 34a_100000210253_200012276598 [0,2,0,0,0,0|2,0,0]=4 16547 B13R0.338 CCCCCOCC(=O)CCCCC 7a_100000210253_200012276598 [0,2,0,0,0,0|2,0,0]=4 16548 B13R0.338 CCCCCOCC(=O)NCCCC 34a_100000210253_100000182744 [0,2,0,0,0,0|2,0,0]=4 16549 B13R0.338 CCCCCOCC(=O)NCCCC 7a_100000210253_100000182744 [0,2,0,0,0,0|2,0,0]=4 16550 B13R0.338 CCCCCOCC(=O)NCCOC 34a_100000210253_100000183275 [0,2,0,0,0,0|2,0,0]=4 16551 B13R0.338 CCCCCOCC(=O)NCCOC 7a_100000210253_100000183275 [0,2,0,0,0,0|2,0,0]=4 16552 B13R0.338 CCCCCOCC(=O)OCCCC 34a_100000210253_100000211628 [0,2,0,0,0,0|1,0,0]=3 16553 B13R0.338 CCCCCOCC(=O)OCCCC 7a_100000210253_100000211628 [0,2,0,0,0,0|1,0,0]=3 16554 B13R0.338 CCCCCOCC(=O)OCCOC 34a_100000210253_200000040189 [0,2,0,0,0,0|1,0,0]=3 16555 B13R0.338 CCCCCOCC(=O)OCCOC 7a_100000210253_200000040189 [0,2,0,0,0,0|1,0,0]=3 16556 B13R0.338 CCCCCSCC(=O)CCCCC 62a_100000210326_200012276598 [0,2,0,0,0,0|2,0,0]=4 16557 B13R0.338 CCCCCSCC(=O)CCCCC 62a_200012276598_100000210326 [0,2,0,0,0,0|2,0,0]=4 16558 B13R0.338 CCCCCSCC(=O)NCCCC 62a_100000182744_100000210326 [0,2,0,0,0,0|2,0,0]=4 16559 B13R0.338 CCCCCSCC(=O)NCCCC 62a_100000210326_100000182744 [0,2,0,0,0,0|2,0,0]=4 16560 B13R0.338 CCCCCSCC(=O)NCCOC 62a_100000183275_100000210326 [0,2,0,0,0,0|2,0,0]=4 16561 B13R0.338 CCCCCSCC(=O)NCCOC 62a_100000210326_100000183275 [0,2,0,0,0,0|2,0,0]=4 16562 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000210326_100000211628 [0,2,0,0,0,0|1,0,0]=3 16563 B13R0.338 CCCCCSCC(=O)OCCCC 62a_100000211628_100000210326 [0,2,0,0,0,0|1,0,0]=3 16564 B13R0.338 CCCCCSCC(=O)OCCOC 62a_100000210326_200000040189 [0,2,0,0,0,0|1,0,0]=3 16565 B13R0.338 CCCCCSCC(=O)OCCOC 62a_200000040189_100000210326 [0,2,0,0,0,0|1,0,0]=3 16566 B13R0.338 CCCCNC(=O)CCCCCCO 240690a_100000102301_100011996774 [0,2,0,0,0,0|2,0,0]=4 16567 B13R0.338 CCCCNC(=O)CCCCCOC 11a_100000102301_100011935119 [0,2,0,0,0,0|2,0,0]=4 16568 B13R0.338 CCCCNC(=O)CCCCCOC 1626a_100000102301_100011935119 [0,2,0,0,0,0|2,0,0]=4 16569 B13R0.338 CCCCNC(=O)CCCCCOC 240690a_100000102301_100011935119 [0,2,0,0,0,0|2,0,0]=4 16570 B13R0.338 CCCCNC(=O)CCCCCOC 527a_100000102301_100011935119 [0,2,0,0,0,0|2,0,0]=4 16571 B13R0.338 CCCCOC(=O)CNCCCCO 2230a_100000750430_100000211628 [0,2,0,0,0,0|2,0,0]=4 16572 B13R0.338 CCCCOC(=O)CNCCCCO 34a_100000750430_100000211628 [0,2,0,0,0,0|2,0,0]=4 16573 B13R0.338 CCCCOC(=O)CNCCCOC 34a_100150723488_100000211628 [0,2,0,0,0,0|2,0,0]=4 16574 B13R0.338 CCCCOC(=O)CNCCCSC 2230a_100000749238_100000211628 [0,2,0,0,0,0|2,0,0]=4 16575 B13R0.338 CCCCOC(=O)CNCCOCC 2230a_102516460346_100000211628 [0,2,0,0,0,0|2,0,0]=4 16576 B13R0.338 CCCCOC(=O)CNCCOCC 34a_102516460346_100000211628 [0,2,0,0,0,0|2,0,0]=4 16577 B13R0.338 CCCCOC(=O)CNCCSCC 2230a_100000106463_100000211628 [0,2,0,0,0,0|2,0,0]=4 16578 B13R0.338 CCCCOC(=O)COCCCCBr 34a_100011216708_100000211628 [0,2,0,0,0,0|2,0,0]=4 16579 B13R0.338 CCCCOC(=O)COCCCCCl 34a_100000210776_100000211628 [0,2,0,0,0,0|2,0,0]=4 16580 B13R0.338 CCCCOC(=O)COCCCCCl 7a_100000210776_100000211628 [0,2,0,0,0,0|2,0,0]=4 16581 B13R0.338 CCCCOC(=O)COCCCCF 34a_100011995726_100000211628 [0,2,0,0,0,0|2,0,0]=4 16582 B13R0.338 CCCCOC(=O)COCCCCF 7a_100011995726_100000211628 [0,2,0,0,0,0|2,0,0]=4 16583 B13R0.338 CCCCOC(=O)COCCCCI 34a_200012148704_100000211628 [0,2,0,0,0,0|2,0,0]=4 16584 B13R0.338 CCCCOC(=O)COCCCCN 34a_100000750430_100000211628 [0,2,0,0,0,0|2,0,0]=4 16585 B13R0.338 CCCCOC(=O)COCCCNC 34a_100000213112_100000211628 [0,2,0,0,0,0|2,0,0]=4 16586 B13R0.338 CCCCOC(=O)COCCCOC 34a_100000740835_100000211628 [0,2,0,0,0,0|2,0,0]=4 16587 B13R0.338 CCCCOC(=O)COCCCSC 34a_100000690336_100000211628 [0,2,0,0,0,0|2,0,0]=4 16588 B13R0.338 CCCCOC(=O)COCCCSC 7a_100000690336_100000211628 [0,2,0,0,0,0|2,0,0]=4 16589 B13R0.338 CCCCOC(=O)COCCOCC 34a_100000210136_100000211628 [0,2,0,0,0,0|2,0,0]=4 16590 B13R0.338 CCCCOC(=O)COCCOCC 7a_100000210136_100000211628 [0,2,0,0,0,0|2,0,0]=4 16591 B13R0.338 CCCCOC(=O)COCCSCC 34a_100000212035_100000211628 [0,2,0,0,0,0|2,0,0]=4 16592 B13R0.338 CCCCOC(=O)COCCSCC 7a_100000212035_100000211628 [0,2,0,0,0,0|2,0,0]=4 16593 B13R0.338 CCCCOC(=O)CSCCCCF 62a_100000211628_100000729493 [0,2,0,0,0,0|2,0,0]=4 16594 B13R0.338 CCCCOC(=O)CSCCCCF 62a_100000729493_100000211628 [0,2,0,0,0,0|2,0,0]=4 16595 B13R0.338 CCCCOC(=O)CSCCCCO 62a_100000210776_100000211628 [0,2,0,0,0,0|2,0,0]=4 16596 B13R0.338 CCCCOC(=O)CSCCCCO 62a_100000211628_100000210776 [0,2,0,0,0,0|2,0,0]=4 16597 B13R0.338 CCCCOC(=O)CSCCCOC 62a_100000211628_100000709357 [0,2,0,0,0,0|2,0,0]=4 16598 B13R0.338 CCCCOC(=O)CSCCCOC 62a_100000709357_100000211628 [0,2,0,0,0,0|2,0,0]=4 16599 B13R0.338 CCCCOC(=O)CSCCOCC 62a_100000210147_100000211628 [0,2,0,0,0,0|2,0,0]=4 16600 B13R0.338 CCCCOC(=O)CSCCOCC 62a_100000211628_100011215890 [0,2,0,0,0,0|2,0,0]=4 16601 B13R0.338 CCCCOC(=O)CSCCSCC 62a_100000211628_100000757381 [0,2,0,0,0,0|2,0,0]=4 16602 B13R0.338 CCCCOC(=O)CSCCSCC 62a_100000757381_100000211628 [0,2,0,0,0,0|2,0,0]=4 16603 B13R0.338 CCCCOCCC(=O)C=CCOC 1458a_100016285016_100000743108 [0,2,0,0,0,0|2,0,0]=4 16604 B13R0.338 CCCCOCCC(=O)C=COCC 1458a_100016266692_100000743108 [0,2,0,0,0,0|1,0,0]=3 16605 B13R0.338 CCCCOCCC(=O)CCCC#N 1458a_100000075515_100000743108 [0,2,0,0,0,0|2,0,0]=4 16606 B13R0.338 CCCCOCCC(=O)CCCCO 1458a_100000695505_100000743108 [0,2,0,0,0,0|2,0,0]=4 16607 B13R0.338 CCCCOCCC(=O)CCCOC 1458a_100000741012_100000743108 [0,2,0,0,0,0|2,0,0]=4 16608 B13R0.338 CCCCOCCC(=O)CCCSC 1458a_100000173376_100000743108 [0,2,0,0,0,0|2,0,0]=4 16609 B13R0.338 CCCCOCCC(=O)CCOCC 1458a_100000749530_100000743108 [0,2,0,0,0,0|1,0,0]=3 16610 B13R0.338 CCCCOCCC(=O)CCSCC 1458a_100000230768_100000743108 [0,2,0,0,0,0|1,1,0]=4 16611 B13R0.338 CCCCOCCC(=O)COCCC 1458a_100000745993_100000743108 [0,2,0,0,0,0|1,0,0]=3 16612 B13R0.338 CCCCOCCC(=O)COCCO 1458a_100000708028_100000743108 [0,2,0,0,0,0|1,0,0]=3 16613 B13R0.338 CCCCOCCC(=O)CSCCC 1458a_100000217233_100000743108 [0,2,0,0,0,0|1,1,0]=4 16614 B13R0.338 CCCNNC(=O)CCCCCOC 22a_100000740057_100011935119 [0,2,0,0,0,0|2,0,0]=4 16615 B13R0.338 CCCOCC(=O)CCCCCC#N 1458a_100000745993_100009813376 [0,2,0,0,0,0|1,0,1]=4 16616 B13R0.338 CCCOCC(=O)CCCCCCF 1458a_100000745993_100015922095 [0,2,0,0,0,0|1,0,0]=3 16617 B13R0.338 CCCOCC(=O)CCCCCCO 1458a_100000745993_100000766143 [0,2,0,0,0,0|1,0,0]=3 16618 B13R0.338 CCCOCC(=O)CCOCCOC 1458a_100000745993_100000695917 [0,2,0,0,0,0|2,0,0]=4 16619 B13R0.338 CCCOCC(=O)NCCCCCO 240690a_100000762737_100000745993 [0,2,0,0,0,0|2,0,0]=4 16620 B13R0.338 CCCOCC(=O)NCCCOCC 11a_100000210961_100000745993 [0,2,0,0,0,0|2,0,0]=4 16621 B13R0.338 CCCOCC(=O)NCCCOCC 1626a_100000210961_100000745993 [0,2,0,0,0,0|2,0,0]=4 16622 B13R0.338 CCCOCC(=O)NCCCOCC 240690a_100000210961_100000745993 [0,2,0,0,0,0|2,0,0]=4 16623 B13R0.338 CCCOCC(=O)NCCCOCC 527a_100000210961_100000745993 [0,2,0,0,0,0|2,0,0]=4 16624 B13R0.338 CCCOCC(=O)NCCSCCC 11a_100020603323_100000745993 [0,2,0,0,0,0|2,0,0]=4 16625 B13R0.338 CCCOCC(=O)NCCSCCC 240690a_100020603323_100000745993 [0,2,0,0,0,0|2,0,0]=4 16626 B13R0.338 CCCOCC(=O)NCCSCCC 527a_100020603323_100000745993 [0,2,0,0,0,0|2,0,0]=4 16627 B13R0.338 CCCOCCNC(=O)C=COCC 1626a_100161115042_100016266692 [0,2,0,0,0,0|2,0,0]=4 16628 B13R0.338 CCCOCCNC(=O)C=COCC 240690a_100161115042_100016266692 [0,2,0,0,0,0|2,0,0]=4 16629 B13R0.338 CCCOCCNC(=O)CCOCC 1626a_100161115042_100000749530 [0,2,0,0,0,0|2,0,0]=4 16630 B13R0.338 CCCOCCNC(=O)CCOCC 240690a_100161115042_100000749530 [0,2,0,0,0,0|2,0,0]=4 16631 B13R0.338 CCCOCCNC(=O)CCOCC 527a_100161115042_100000749530 [0,2,0,0,0,0|2,0,0]=4 16632 B13R0.338 CCCOCCNC(=O)COCCC 1626a_100161115042_100000745993 [0,2,0,0,0,0|2,0,0]=4 16633 B13R0.338 CCCOCCNC(=O)COCCC 240690a_100161115042_100000745993 [0,2,0,0,0,0|2,0,0]=4 16634 B13R0.338 CCCOCCNC(=O)COCCC 527a_100161115042_100000745993 [0,2,0,0,0,0|2,0,0]=4 16635 B13R0.338 CCCOCCNC(=O)COCCO 1626a_100161115042_100000708028 [0,2,0,0,0,0|2,0,0]=4 16636 B13R0.338 CCCOCCNC(=O)COCCO 240690a_100161115042_100000708028 [0,2,0,0,0,0|2,0,0]=4 16637 B13R0.338 CCCSCC(=O)CCCCCCF 1458a_100000217233_100015922095 [0,2,0,0,0,0|1,1,0]=4 16638 B13R0.338 CCCSCC(=O)CCCCCCO 1458a_100000217233_100000766143 [0,2,0,0,0,0|1,1,0]=4 16639 B13R0.338 CCCSCCNC(=O)C=COCC 11a_100020603323_100016266692 [0,2,0,0,0,0|2,0,0]=4 16640 B13R0.338 CCCSCCNC(=O)C=COCC 240690a_100020603323_100016266692 [0,2,0,0,0,0|2,0,0]=4 16641 B13R0.338 CCCSCCNC(=O)CCOCC 11a_100020603323_100000749530 [0,2,0,0,0,0|2,0,0]=4 16642 B13R0.338 CCCSCCNC(=O)CCOCC 240690a_100020603323_100000749530 [0,2,0,0,0,0|2,0,0]=4 16643 B13R0.338 CCCSCCNC(=O)CCOCC 527a_100020603323_100000749530 [0,2,0,0,0,0|2,0,0]=4 16644 B13R0.338 CCCSCCNC(=O)COCCO 240690a_100020603323_100000708028 [0,2,0,0,0,0|2,0,0]=4 16645 B13R0.338 CCOC=CC(=O)CCCCCC#N 1458a_100016266692_100009813376 [0,2,0,0,0,0|1,0,1]=4 16646 B13R0.338 CCOC=CC(=O)CCCCCCF 1458a_100016266692_100015922095 [0,2,0,0,0,0|1,0,0]=3 16647 B13R0.338 CCOC=CC(=O)CCCCCCO 1458a_100016266692_100000766143 [0,2,0,0,0,0|1,0,0]=3 16648 B13R0.338 CCOC=CC(=O)CCOCCOC 1458a_100016266692_100000695917 [0,2,0,0,0,0|2,0,0]=4 16649 B13R0.338 CCOC=CC(=O)NCCCCCO 240690a_100000762737_100016266692 [0,2,0,0,0,0|2,0,0]=4 16650 B13R0.338 CCOC=CC(=O)NCCCOCC 11a_100000210961_100016266692 [0,2,0,0,0,0|2,0,0]=4 16651 B13R0.338 CCOC=CC(=O)NCCCOCC 1626a_100000210961_100016266692 [0,2,0,0,0,0|2,0,0]=4 16652 B13R0.338 CCOC=CC(=O)NCCCOCC 240690a_100000210961_100016266692 [0,2,0,0,0,0|2,0,0]=4 16653 B13R0.338 CCOCCC(=O)CCCCCC#N 1458a_100000749530_100009813376 [0,2,0,0,0,0|1,0,1]=4 16654 B13R0.338 CCOCCC(=O)CCCCCCF 1458a_100000749530_100015922095 [0,2,0,0,0,0|1,0,0]=3 16655 B13R0.338 CCOCCC(=O)CCCCCCO 1458a_100000749530_100000766143 [0,2,0,0,0,0|1,0,0]=3 16656 B13R0.338 CCOCCC(=O)CCCCCCO 1458a_100011996774_100011215890 [0,2,0,0,0,0|1,0,0]=3 16657 B13R0.338 CCOCCC(=O)CCCCCOC 1458a_100011935119_100011215890 [0,2,0,0,0,0|1,0,0]=3 16658 B13R0.338 CCOCCC(=O)CCOCCOC 1458a_100000745395_100011215890 [0,2,0,0,0,0|2,0,0]=4 16659 B13R0.338 CCOCCC(=O)CCOCCOC 1458a_100000749530_100000695917 [0,2,0,0,0,0|2,0,0]=4 16660 B13R0.338 CCOCCC(=O)NCCCCCO 240690a_100000762737_100000749530 [0,2,0,0,0,0|2,0,0]=4 16661 B13R0.338 CCOCCCNC(=O)CCOCC 11a_100000210961_100000749530 [0,2,0,0,0,0|2,0,0]=4 16662 B13R0.338 CCOCCCNC(=O)CCOCC 1626a_100000210961_100000749530 [0,2,0,0,0,0|2,0,0]=4 16663 B13R0.338 CCOCCCNC(=O)CCOCC 240690a_100000210961_100000749530 [0,2,0,0,0,0|2,0,0]=4 16664 B13R0.338 CCOCCCNC(=O)CCOCC 527a_100000210961_100000749530 [0,2,0,0,0,0|2,0,0]=4 16665 B13R0.338 CCOCCCNC(=O)COCCO 1626a_100000210961_100000708028 [0,2,0,0,0,0|2,0,0]=4 16666 B13R0.338 CCOCCCNC(=O)COCCO 240690a_100000210961_100000708028 [0,2,0,0,0,0|2,0,0]=4 16667 B13R0.338 CCOCCNCC(=O)OCCOC 2230a_102516460346_200000040189 [0,2,0,0,0,0|2,0,0]=4 16668 B13R0.338 CCOCCNCC(=O)OCCOC 34a_102516460346_200000040189 [0,2,0,0,0,0|2,0,0]=4 16669 B13R0.338 CCOCCOCC(=O)OCCOC 34a_100000210136_200000040189 [0,2,0,0,0,0|2,0,0]=4 16670 B13R0.338 CCOCCOCC(=O)OCCOC 7a_100000210136_200000040189 [0,2,0,0,0,0|2,0,0]=4 16671 B13R0.338 CCOCCSCC(=O)OCCOC 62a_100000210147_200000040189 [0,2,0,0,0,0|2,0,0]=4 16672 B13R0.338 CCOCCSCC(=O)OCCOC 62a_200000040189_100011215890 [0,2,0,0,0,0|2,0,0]=4 16673 B13R0.338 CCSCCC(=O)CCCCCCF 1458a_100000230768_100015922095 [0,2,0,0,0,0|1,1,0]=4 16674 B13R0.338 CCSCCC(=O)CCCCCCO 1458a_100000230768_100000766143 [0,2,0,0,0,0|1,1,0]=4 16675 B13R0.338 CCSCCC(=O)CCCCCCO 1458a_100011996774_100000757381 [0,2,0,0,0,0|1,1,0]=4 16676 B13R0.338 CCSCCC(=O)CCCCCOC 1458a_100011935119_100000757381 [0,2,0,0,0,0|1,1,0]=4 16677 B13R0.338 CCSCCNCC(=O)OCCOC 2230a_100000106463_200000040189 [0,2,0,0,0,0|2,0,0]=4 16678 B13R0.338 CCSCCOCC(=O)OCCOC 34a_100000212035_200000040189 [0,2,0,0,0,0|2,0,0]=4 16679 B13R0.338 CCSCCOCC(=O)OCCOC 7a_100000212035_200000040189 [0,2,0,0,0,0|2,0,0]=4 16680 B13R0.338 CCSCCSCC(=O)OCCOC 62a_100000757381_200000040189 [0,2,0,0,0,0|2,0,0]=4 16681 B13R0.338 CCSCCSCC(=O)OCCOC 62a_200000040189_100000757381 [0,2,0,0,0,0|2,0,0]=4 16682 B13R0.338 CNCCCOCC(=O)OCCOC 34a_100000213112_200000040189 [0,2,0,0,0,0|2,0,0]=4 16683 B13R0.338 COCC=CC(=O)CCCCCCF 1458a_100016285016_100015922095 [0,2,0,0,0,0|2,0,0]=4 16684 B13R0.338 COCC=CC(=O)CCCCCCO 1458a_100016285016_100000766143 [0,2,0,0,0,0|2,0,0]=4 16685 B13R0.338 COCCCC(=O)CCCCCCF 1458a_100000741012_100015922095 [0,2,0,0,0,0|2,0,0]=4 16686 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100000741012_100000766143 [0,2,0,0,0,0|2,0,0]=4 16687 B13R0.338 COCCCC(=O)CCCCCCO 1458a_100011996774_100000740836 [0,2,0,0,0,0|2,0,0]=4 16688 B13R0.338 COCCCCCC(=O)CCCC#N 1458a_100011935119_100000211468 [0,2,0,0,0,0|2,0,0]=4 16689 B13R0.338 COCCCCCC(=O)CCCCF 1458a_100011935119_100000729493 [0,2,0,0,0,0|2,0,0]=4 16690 B13R0.338 COCCCCCC(=O)CCCCO 1458a_100011935119_100000210776 [0,2,0,0,0,0|2,0,0]=4 16691 B13R0.338 COCCCCCC(=O)CCCOC 1458a_100011935119_100000740836 [0,2,0,0,0,0|2,0,0]=4 16692 B13R0.338 COCCCCCC(=O)NCCC#N 11a_100000720768_100011935119 [0,2,0,0,0,0|2,0,0]=4 16693 B13R0.338 COCCCCCC(=O)NCCC#N 1626a_100000720768_100011935119 [0,2,0,0,0,0|2,0,0]=4 16694 B13R0.338 COCCCCCC(=O)NCCC#N 240690a_100000720768_100011935119 [0,2,0,0,0,0|2,0,0]=4 16695 B13R0.338 COCCCCCC(=O)NCCC#N 527a_100000720768_100011935119 [0,2,0,0,0,0|2,0,0]=4 16696 B13R0.338 COCCCCCC(=O)NCCCF 11a_100015189416_100011935119 [0,2,0,0,0,0|2,0,0]=4 16697 B13R0.338 COCCCCCC(=O)NCCCF 1626a_100015189416_100011935119 [0,2,0,0,0,0|2,0,0]=4 16698 B13R0.338 COCCCCCC(=O)NCCCF 240690a_100015189416_100011935119 [0,2,0,0,0,0|2,0,0]=4 16699 B13R0.338 COCCCCCC(=O)NCCCF 527a_100015189416_100011935119 [0,2,0,0,0,0|2,0,0]=4 16700 B13R0.338 COCCCCCC(=O)NCCCO 240690a_100000182051_100011935119 [0,2,0,0,0,0|2,0,0]=4 16701 B13R0.338 COCCCCCC(=O)NCCCO 527a_100000182051_100011935119 [0,2,0,0,0,0|2,0,0]=4 16702 B13R0.338 COCCCCCC(=O)NCCOC 1626a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 16703 B13R0.338 COCCCCCC(=O)NCCOC 240690a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 16704 B13R0.338 COCCCCCC(=O)NCCOC 527a_100000209980_100011935119 [0,2,0,0,0,0|2,0,0]=4 16705 B13R0.338 COCCCCCC(=O)NCCSC 11a_100020590264_100011935119 [0,2,0,0,0,0|2,0,0]=4 16706 B13R0.338 COCCCCCC(=O)NCCSC 1626a_100020590264_100011935119 [0,2,0,0,0,0|2,0,0]=4 16707 B13R0.338 COCCCCCC(=O)NCCSC 240690a_100020590264_100011935119 [0,2,0,0,0,0|2,0,0]=4 16708 B13R0.338 COCCCCCC(=O)NCCSC 527a_100020590264_100011935119 [0,2,0,0,0,0|2,0,0]=4 16709 B13R0.338 COCCCCCC(=O)NNCCO 22a_100000210001_100011935119 [0,2,0,0,0,0|2,0,0]=4 16710 B13R0.338 COCCCNCC(=O)OCCOC 34a_100150723488_200000040189 [0,2,0,0,0,0|2,0,0]=4 16711 B13R0.338 COCCCOCC(=O)OCCOC 34a_100000740835_200000040189 [0,2,0,0,0,0|2,0,0]=4 16712 B13R0.338 COCCCSCC(=O)OCCOC 62a_100000709357_200000040189 [0,2,0,0,0,0|2,0,0]=4 16713 B13R0.338 COCCCSCC(=O)OCCOC 62a_200000040189_100000709357 [0,2,0,0,0,0|2,0,0]=4 16714 B13R0.338 COCCNC(=O)CCCCCCO 240690a_100000209980_100011996774 [0,2,0,0,0,0|2,0,0]=4 16715 B13R0.338 COCCOC(=O)CNCCCCO 2230a_100000750430_200000040189 [0,2,0,0,0,0|2,0,0]=4 16716 B13R0.338 COCCOC(=O)CNCCCCO 34a_100000750430_200000040189 [0,2,0,0,0,0|2,0,0]=4 16717 B13R0.338 COCCOC(=O)CNCCCSC 2230a_100000749238_200000040189 [0,2,0,0,0,0|2,0,0]=4 16718 B13R0.338 COCCOC(=O)COCCCCBr 34a_100011216708_200000040189 [0,2,0,0,0,0|2,0,0]=4 16719 B13R0.338 COCCOC(=O)COCCCCCl 34a_100000210776_200000040189 [0,2,0,0,0,0|2,0,0]=4 16720 B13R0.338 COCCOC(=O)COCCCCCl 7a_100000210776_200000040189 [0,2,0,0,0,0|2,0,0]=4 16721 B13R0.338 COCCOC(=O)COCCCCF 34a_100011995726_200000040189 [0,2,0,0,0,0|2,0,0]=4 16722 B13R0.338 COCCOC(=O)COCCCCF 7a_100011995726_200000040189 [0,2,0,0,0,0|2,0,0]=4 16723 B13R0.338 COCCOC(=O)COCCCCI 34a_200012148704_200000040189 [0,2,0,0,0,0|2,0,0]=4 16724 B13R0.338 COCCOC(=O)COCCCCN 34a_100000750430_200000040189 [0,2,0,0,0,0|2,0,0]=4 16725 B13R0.338 COCCOC(=O)COCCCSC 34a_100000690336_200000040189 [0,2,0,0,0,0|2,0,0]=4 16726 B13R0.338 COCCOC(=O)COCCCSC 7a_100000690336_200000040189 [0,2,0,0,0,0|2,0,0]=4 16727 B13R0.338 COCCOC(=O)CSCCCCF 62a_100000729493_200000040189 [0,2,0,0,0,0|2,0,0]=4 16728 B13R0.338 COCCOC(=O)CSCCCCF 62a_200000040189_100000729493 [0,2,0,0,0,0|2,0,0]=4 16729 B13R0.338 COCCOC(=O)CSCCCCO 62a_100000210776_200000040189 [0,2,0,0,0,0|2,0,0]=4 16730 B13R0.338 COCCOC(=O)CSCCCCO 62a_200000040189_100000210776 [0,2,0,0,0,0|2,0,0]=4 16731 B13R0.338 COCCOCCC(=O)COCCO 1458a_100000708028_100000695917 [0,2,0,0,0,0|2,0,0]=4 16732 B13R0.338 CSCCCC(=O)CCCCCCF 1458a_100000173376_100015922095 [0,2,0,0,0,0|2,0,0]=4 16733 B13R0.338 CSCCCC(=O)CCCCCCO 1458a_100000173376_100000766143 [0,2,0,0,0,0|2,0,0]=4 16734 B13R0.338 CSCCNC(=O)CCCCCCO 240690a_100020590264_100011996774 [0,2,0,0,0,0|2,0,0]=4 16735 B13R0.338 N#CCCCC(=O)CCCCCCF 1458a_100000075515_100015922095 [0,2,0,0,0,0|2,0,0]=4 16736 B13R0.338 N#CCCCC(=O)CCCCCCO 1458a_100000075515_100000766143 [0,2,0,0,0,0|2,0,0]=4 16737 B13R0.338 N#CCCCC(=O)CCCCCCO 1458a_100011996774_100000211468 [0,2,0,0,0,0|2,0,0]=4 16738 B13R0.338 N#CCCCCCC(=O)COCCO 1458a_100000708028_100009813376 [0,2,0,0,0,0|1,0,1]=4 16739 B13R0.338 N#CCCNC(=O)CCCCCCO 240690a_100000720768_100011996774 [0,2,0,0,0,0|2,0,0]=4 16740 B13R0.338 O=C(CCCCCCF)COCCO 1458a_100000708028_100015922095 [0,2,0,0,0,0|1,0,0]=3 16741 B13R0.338 O=C(CCCCCCO)COCCO 1458a_100000708028_100000766143 [0,2,0,0,0,0|1,0,0]=3 16742 B13R0.338 O=C(CCCCCCO)NCCCF 240690a_100015189416_100011996774 [0,2,0,0,0,0|2,0,0]=4 16743 B13R0.338 O=C(CCCCCCO)NCCCO 240690a_100000182051_100011996774 [0,2,0,0,0,0|2,0,0]=4 16744 B13R0.338 O=C(CCCCF)CCCCCCO 1458a_100011996774_100000729493 [0,2,0,0,0,0|2,0,0]=4 16745 B13R0.338 O=C(CCCCO)CCCCCCF 1458a_100000695505_100015922095 [0,2,0,0,0,0|2,0,0]=4 16746 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100000695505_100000766143 [0,2,0,0,0,0|2,0,0]=4 16747 B13R0.338 O=C(CCCCO)CCCCCCO 1458a_100011996774_100000210776 [0,2,0,0,0,0|2,0,0]=4 16748 B13R0.338 O=C(COCCO)NCCCCCO 240690a_100000762737_100000708028 [0,2,0,0,0,0|2,0,0]=4 16749 B13R0.689 CCCCCCCC(C)(C)OCCBr 34a_100000211926_200000046972 [0,2,0,0,0,0|1,0,1]=4 16750 B13R0.689 CCCCCCCC(C)(C)OCCC 34a_100000210258_200000046972 [0,2,0,0,0,0|1,0,1]=4 16751 B13R0.689 CCCCCCCC(C)(C)OCCN 34a_100000210304_200000046972 [0,2,0,0,0,0|1,0,1]=4 16752 B13R0.89 C=C(CCC)CC(=O)CC(=O)OCC 1458a_100000138376_100000188475 [0,2,0,0,0,0|0,0,2]=4 16753 B13R0.89 CCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_100000747444 [0,2,0,0,0,0|0,0,2]=4 16754 B13R0.89 CCCC(=O)CC(=O)CC(C)CCC 1458a_100000748435_100000747444 [0,2,0,0,0,0|1,0,1]=4 16755 B13R0.89 CCCC(=O)CN(C)CC(=O)OCC 2230a_100000220588_100000747444 [0,2,0,0,0,0|1,0,1]=4 16756 B13R0.89 CCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000211992 [0,2,0,0,0,0|1,0,1]=4 16757 B13R0.89 CCCC(C)CC(=O)CC(=O)NCC 1458a_100000748435_100000183381 [0,2,0,0,0,0|1,0,1]=4 16758 B13R0.89 CCCC(C)CC(=O)CC(=O)OCC 1458a_100000243816_100011216630 [0,2,0,0,0,0|0,0,1]=3 16759 B13R0.89 CCCC(C)CC(=O)CC(=O)OCC 1458a_100000748435_100000188475 [0,2,0,0,0,0|0,0,1]=3 16760 B13R0.89 CCCC(C)CN(C)CC(=O)NCC 2230a_100000741943_100011216630 [0,2,0,0,0,0|2,0,0]=4 16761 B13R0.89 CCCC(C)CN(C)CC(=O)NCC 269982a_100000741943_100011216630 [0,2,0,0,0,0|2,0,0]=4 16762 B13R0.89 CCCC(C)CN(C)CC(=O)NCC 270004a_100000741943_100000243154 [0,2,0,0,0,0|2,0,0]=4 16763 B13R0.89 CCCC(C)CN(C)CC(=O)OCC 2230a_100000220588_100011216630 [0,2,0,0,0,0|1,0,0]=3 16764 B13R0.89 CCCC(C)CN(C)CC(=O)OCC 270004a_100000220588_100000243154 [0,2,0,0,0,0|1,0,0]=3 16765 B13R0.89 CCCC(C)NC(=O)CC(=O)OCC 240690a_100000741246_100000243816 [0,2,0,0,0,0|1,0,1]=4 16766 B13R0.89 CCCC(C)NC(C)CC(=O)OCC 2230a_100000741246_100009817359 [0,2,0,0,0,0|1,0,0]=3 16767 B13R0.89 CCCC(C)OC(C)CC(=O)OCC 7a_100000764384_100009817359 [0,2,0,0,0,0|1,0,0]=3 16768 B13R0.89 CCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_100000766640 [0,2,0,0,0,0|1,0,0]=3 16769 B13R0.89 CCCC(C)SC(C)CC(=O)OCC 62a_100000766640_100009817359 [0,2,0,0,0,0|1,0,0]=3 16770 B13R0.89 CCCC(C)SC(C)CC(=O)OCC 62a_100009817359_100000766640 [0,2,0,0,0,0|1,0,0]=3 16771 B13R0.89 CCCC(C)SC(C)OC(=O)OCC 62a_100000036008_100000766640 [0,2,0,0,0,0|2,0,0]=4 16772 B13R0.89 CCCC(C)SC(C)OC(=O)OCC 62a_100000766640_100000036008 [0,2,0,0,0,0|2,0,0]=4 16773 B13R0.89 CCCN(C)CC(=O)CC(=O)OCC 269982a_100000747261_100000210311 [0,2,0,0,0,0|1,0,1]=4 16774 B13R0.89 CCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000747261_100000688340 [0,2,0,0,0,0|1,0,0]=3 16775 B13R0.89 CCCS(=O)CC(=O)CC(=O)OCC 1458a_100011387404_100000188475 [0,2,0,0,0,0|1,0,1]=4 16776 B13R0.89 CCOC(=O)CC(=O)CC(C)SCC 1458a_200011311441_100000188475 [0,2,0,0,0,0|1,0,1]=4 16777 B13R0.89 CCOC(=O)CC(C)N[C@H](C)CCO 2230a_100000706166_100009817359 [0,2,0,0,0,0|2,0,0]=4 16778 B13R0.89 CCOC(=O)CC(C)N[C@H](C)COC 2230a_100000764878_100009817359 [0,2,0,0,0,0|2,0,0]=4 16779 B13R0.89 CCOC(=O)CC(C)SC(C)CCO 62a_100009817359_100009893172 [0,2,0,0,0,0|2,0,0]=4 16780 B13R0.89 CCOC(=O)CC(C)SC(C)CCO 62a_100009893172_100009817359 [0,2,0,0,0,0|2,0,0]=4 16781 B13R0.89 CCOC(=O)CC(C)SC(C)COC 62a_100000765312_100009817359 [0,2,0,0,0,0|2,0,0]=4 16782 B13R0.89 CCOC(=O)CC(C)SC(C)COC 62a_100009817359_100000765312 [0,2,0,0,0,0|2,0,0]=4 16783 B13R0.89 CCOC(=O)CN(C)CC(O)COC 2230a_100000739405_100000188475 [0,2,0,0,0,0|2,0,0]=4 16784 B13R0.89 CCOC(=O)CN(C)CC(O)COC 269982a_100000739405_100000188475 [0,2,0,0,0,0|2,0,0]=4 16785 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)CCO 7a_100009816390_100009893172 [0,2,0,0,0,0|2,0,0]=4 16786 B13R0.89 CCOC(=O)C[C@@H](C)OC(C)COC 7a_100009816390_100000765312 [0,2,0,0,0,0|2,0,0]=4 16787 B13R0.89 CCOC(=O)C[C@H](O)CN(C)CCO 269982a_100000210263_100000688340 [0,2,0,0,0,0|2,0,0]=4 16788 B13R0.331 C=C(C)CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000730704 [0,2,0,0,0,0|1,0,1]=4 16789 B13R0.331 C=C(C)CCSC(C)CC(=O)OCC 62a_100000730704_100009817359 [0,2,0,0,0,0|1,0,1]=4 16790 B13R0.331 C=C(C)CCSC(C)CC(=O)OCC 62a_100009817359_100000730704 [0,2,0,0,0,0|1,0,1]=4 16791 B13R0.331 C=C(C)COC[C@@H](O)CC(=O)OCC 34a_100000210245_100000688340 [0,2,0,0,0,0|1,0,1]=4 16792 B13R0.331 C=C(C)CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000211660 [0,2,0,0,0,0|1,0,1]=4 16793 B13R0.331 C=C(C)CSC[C@@H](O)CC(=O)OCC 62a_100000748629_100000688340 [0,2,0,0,0,0|1,0,1]=4 16794 B13R0.331 CCCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747444 [0,2,0,0,0,0|1,0,1]=4 16795 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 11a_100000210607_100000211992 [0,2,0,0,0,0|2,0,0]=4 16796 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 1626a_100000210607_100000211992 [0,2,0,0,0,0|2,0,0]=4 16797 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 240690a_100000210607_100000211992 [0,2,0,0,0,0|2,0,0]=4 16798 B13R0.331 CCCC(=O)NC(C)CCCC(C)C 527a_100000210607_100000211992 [0,2,0,0,0,0|2,0,0]=4 16799 B13R0.331 CCNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183381 [0,2,0,0,0,0|1,0,1]=4 16800 B13R0.331 CCNC(=O)CN(C)CCCC(C)C 2230a_100000741943_100011214892 [0,2,0,0,0,0|2,0,0]=4 16801 B13R0.331 CCNC(=O)CN(C)CCCC(C)C 269982a_100000741943_100011214892 [0,2,0,0,0,0|2,0,0]=4 16802 B13R0.331 CCNC(=O)CN(C)CCCC(C)O 2230a_100000741943_200000718107 [0,2,0,0,0,0|2,0,0]=4 16803 B13R0.331 CCNC(=O)CN(C)CCCC(C)O 269982a_100000741943_200000718107 [0,2,0,0,0,0|2,0,0]=4 16804 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 2708a_100000210607_100015525214 [0,2,0,0,0,0|2,0,0]=4 16805 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 2708a_100015525214_100000210607 [0,2,0,0,0,0|2,0,0]=4 16806 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 273464a_100000210607_100015525214 [0,2,0,0,0,0|2,0,0]=4 16807 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 512a_100000210607_100015525214 [0,2,0,0,0,0|2,0,0]=4 16808 B13R0.331 CCNC(=O)NC(C)CCCC(C)C 512a_100015525214_100000210607 [0,2,0,0,0,0|2,0,0]=4 16809 B13R0.331 CCOC(=O)CC(=O)CCCC(=O)C 1458a_100000243816_100011215641 [0,2,0,0,0,0|0,0,2]=4 16810 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100000243816_100011214892 [0,2,0,0,0,0|0,0,1]=3 16811 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000188475 [0,2,0,0,0,0|0,0,1]=3 16812 B13R0.331 CCOC(=O)CC(=O)CCCC(C)O 1458a_100000243816_200000718107 [0,2,0,0,0,0|0,0,1]=3 16813 B13R0.331 CCOC(=O)CC(=O)CCCN(C)C 1458a_100000243816_100000695564 [0,2,0,0,0,0|1,0,1]=4 16814 B13R0.331 CCOC(=O)CC(=O)CCOC(C)C 1458a_100000243816_100000211751 [0,2,0,0,0,0|1,0,1]=4 16815 B13R0.331 CCOC(=O)CC(=O)CCSC(C)C 1458a_100000243816_100000730970 [0,2,0,0,0,0|1,0,1]=4 16816 B13R0.331 CCOC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000188475 [0,2,0,0,0,0|1,0,1]=4 16817 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210311_100000210760 [0,2,0,0,0,0|1,0,1]=4 16818 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210311 [0,2,0,0,0,0|1,0,1]=4 16819 B13R0.331 CCOC(=O)CC(=O)CSCC(C)O 62a_100000210311_100011218427 [0,2,0,0,0,0|1,0,1]=4 16820 B13R0.331 CCOC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210311 [0,2,0,0,0,0|1,0,1]=4 16821 B13R0.331 CCOC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210311_100009817552 [0,2,0,0,0,0|1,0,1]=4 16822 B13R0.331 CCOC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210311 [0,2,0,0,0,0|1,0,1]=4 16823 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000243816 [0,2,0,0,0,0|1,0,1]=4 16824 B13R0.331 CCOC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000243816 [0,2,0,0,0,0|1,0,1]=4 16825 B13R0.331 CCOC(=O)CC(C)NCCC(C)O 2230a_200000755665_100009817359 [0,2,0,0,0,0|1,0,0]=3 16826 B13R0.331 CCOC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817359 [0,2,0,0,0,0|1,0,1]=4 16827 B13R0.331 CCOC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817359 [0,2,0,0,0,0|1,0,0]=3 16828 B13R0.331 CCOC(=O)CC(C)SCCC(=O)C 62a_100000053229_100009817359 [0,2,0,0,0,0|1,0,1]=4 16829 B13R0.331 CCOC(=O)CC(C)SCCC(=O)C 62a_100009817359_100000053229 [0,2,0,0,0,0|1,0,1]=4 16830 B13R0.331 CCOC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817359 [0,2,0,0,0,0|1,0,0]=3 16831 B13R0.331 CCOC(=O)CC(C)SCCC(C)C 62a_100009817359_100000210312 [0,2,0,0,0,0|1,0,0]=3 16832 B13R0.331 CCOC(=O)CC(C)SCCC(C)O 62a_100009817359_100012276601 [0,2,0,0,0,0|1,0,0]=3 16833 B13R0.331 CCOC(=O)CC(C)SCCC(C)O 62a_100012276601_100009817359 [0,2,0,0,0,0|1,0,0]=3 16834 B13R0.331 CCOC(=O)CC(C)SCCN(C)C 62a_100009817359_100000755713 [0,2,0,0,0,0|2,0,0]=4 16835 B13R0.331 CCOC(=O)CC(C)SCOC(C)C 62a_100000709892_100009817359 [0,2,0,0,0,0|2,0,0]=4 16836 B13R0.331 CCOC(=O)CC(C)SCOC(C)C 62a_100009817359_100000709892 [0,2,0,0,0,0|2,0,0]=4 16837 B13R0.331 CCOC(=O)CN(C)CCCC(C)C 2230a_100000220588_100011214892 [0,2,0,0,0,0|1,0,0]=3 16838 B13R0.331 CCOC(=O)CN(C)CCCC(C)O 2230a_100000220588_200000718107 [0,2,0,0,0,0|1,0,0]=3 16839 B13R0.331 CCOC(=O)CN(C)CCCN(C)C 269982a_100000225831_100000188475 [0,2,0,0,0,0|2,0,0]=4 16840 B13R0.331 CCOC(=O)CN(C)CCOC(C)C 2230a_100000220588_100000211751 [0,2,0,0,0,0|2,0,0]=4 16841 B13R0.331 CCOC(=O)CN(C)CCSC(C)C 2230a_100000220588_100000730970 [0,2,0,0,0,0|2,0,0]=4 16842 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(=O)C 7a_100009816390_100000053229 [0,2,0,0,0,0|1,0,1]=4 16843 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)C 7a_100009816390_100000210626 [0,2,0,0,0,0|1,0,0]=3 16844 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)O 7a_100009816390_100012276601 [0,2,0,0,0,0|1,0,0]=3 16845 B13R0.331 CCOC(=O)C[C@@H](C)OCCN(C)C 7a_100009816390_100000755713 [0,2,0,0,0,0|2,0,0]=4 16846 B13R0.331 CCOC(=O)C[C@H](O)CCNC(=O)C 188690a_200020634500_100015343762 [0,2,0,0,0,0|1,0,1]=4 16847 B13R0.331 CCOC(=O)C[C@H](O)CNCC(C)C 34a_100000210953_100000688340 [0,2,0,0,0,0|1,0,0]=3 16848 B13R0.331 CCOC(=O)C[C@H](O)CNCC(C)O 34a_100000210904_100000688340 [0,2,0,0,0,0|1,0,0]=3 16849 B13R0.331 CCOC(=O)C[C@H](O)CNCC(F)F 34a_100000765723_100000688340 [0,2,0,0,0,0|2,0,0]=4 16850 B13R0.331 CCOC(=O)C[C@H](O)COCC(=O)C 34a_100000211253_100000688340 [0,2,0,0,0,0|1,0,1]=4 16851 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)Br 34a_100012180447_100000688340 [0,2,0,0,0,0|1,0,0]=3 16852 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)C 34a_100000210257_100000688340 [0,2,0,0,0,0|1,0,0]=3 16853 B13R0.331 CCOC(=O)C[C@H](O)COCC(C)F 34a_100015925927_100000688340 [0,2,0,0,0,0|1,0,0]=3 16854 B13R0.331 CCOC(=O)C[C@H](O)COCC(F)F 34a_100000743014_100000688340 [0,2,0,0,0,0|2,0,0]=4 16855 B13R0.331 CCOC(=O)C[C@H](O)COC[C@@H](C)Cl 34a_100016084084_100000688340 [0,2,0,0,0,0|1,0,0]=3 16856 B13R0.331 CCOC(=O)C[C@H](O)COC[C@@H](C)N 34a_100000737577_100000688340 [0,2,0,0,0,0|1,0,0]=3 16857 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)C 62a_100000210624_100000688340 [0,2,0,0,0,0|1,0,0]=3 16858 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)C 62a_100000688340_100000210760 [0,2,0,0,0,0|1,0,0]=3 16859 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)O 62a_100000688340_100011218427 [0,2,0,0,0,0|1,0,0]=3 16860 B13R0.331 CCOC(=O)C[C@H](O)CSCC(C)O 62a_100011218427_100000688340 [0,2,0,0,0,0|1,0,0]=3 16861 B13R0.331 CCOC(=O)C[C@H](O)CSCC(F)F 62a_100000688340_100011934356 [0,2,0,0,0,0|2,0,0]=4 16862 B13R0.331 CCOC(=O)C[C@H](O)CSCC(F)F 62a_100011934356_100000688340 [0,2,0,0,0,0|2,0,0]=4 16863 B13R0.331 CCOC(=O)C[C@H](O)CSC[C@@H](C)O 62a_100000688340_100009817552 [0,2,0,0,0,0|1,0,0]=3 16864 B13R0.331 CCOC(=O)C[C@H](O)CSC[C@@H](C)O 62a_100009817552_100000688340 [0,2,0,0,0,0|1,0,0]=3 16865 B13R0.331 CCOC(=O)OC(C)SCCC(C)C 62a_100000036008_100000210312 [0,2,0,0,0,0|2,0,0]=4 16866 B13R0.331 CCOC(=O)OC(C)SCCC(C)C 62a_100000210312_100000036008 [0,2,0,0,0,0|2,0,0]=4 16867 B13R0.331 CCOC(=O)OC(C)SCCC(C)O 62a_100000036008_100012276601 [0,2,0,0,0,0|2,0,0]=4 16868 B13R0.331 CCOC(=O)OC(C)SCCC(C)O 62a_100012276601_100000036008 [0,2,0,0,0,0|2,0,0]=4 16869 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC 270084a_100000102301_100000738689 [0,2,0,0,0,0|2,0,0]=4 16870 B13R0.809 CCCCNS(=O)(=O)CC(=O)OCC 274078a_100000102301_100000738689 [0,2,0,0,0,0|2,0,0]=4 16871 B13R0.809 CCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210211 [0,2,0,0,0,0|1,0,0]=3 16872 B13R0.809 CCOC(=O)CC(C)(C)OCCCF 7a_100000765344_100011934791 [0,2,0,0,0,0|2,0,0]=4 16873 B13R0.809 CCOC(=O)CC(C)(C)OCCCO 7a_100000765344_100011215043 [0,2,0,0,0,0|2,0,0]=4 16874 B13R0.809 CCOC(=O)CC(C)(C)OCCOC 7a_100000765344_100000233755 [0,2,0,0,0,0|2,0,0]=4 16875 B13R0.809 CCOC(=O)CC(C)(C)OCCSC 7a_100000765344_100000212216 [0,2,0,0,0,0|2,0,0]=4 16876 B13R0.1051 CCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210326 [0,2,0,0,0,0|1,0,0]=3 16877 B13R0.1051 CCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210215 [0,2,0,0,0,0|1,0,0]=3 16878 B13R0.1051 CCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210211 [0,2,0,0,0,0|1,0,0]=3 16879 B13R0.1051 CCOC(=O)CN(CC)CCCCF 2230a_100000220607_100000729493 [0,2,0,0,0,0|2,0,0]=4 16880 B13R0.1051 CCOC(=O)CN(CC)CCCCF 269982a_100000220607_100000729493 [0,2,0,0,0,0|2,0,0]=4 16881 B13R0.1051 CCOC(=O)CN(CC)CCCCO 2230a_100000220607_100000210776 [0,2,0,0,0,0|2,0,0]=4 16882 B13R0.1051 CCOC(=O)CN(CC)CCCCO 2230a_100011217355_100000188475 [0,2,0,0,0,0|2,0,0]=4 16883 B13R0.1051 CCOC(=O)CN(CC)CCCCO 269982a_100000220607_100000210776 [0,2,0,0,0,0|2,0,0]=4 16884 B13R0.1051 CCOC(=O)CN(CC)CCCCO 269982a_100011217355_100000188475 [0,2,0,0,0,0|2,0,0]=4 16885 B13R0.1051 CCOC(=O)CN(CC)CCCOC 2230a_100000220607_100000740836 [0,2,0,0,0,0|2,0,0]=4 16886 B13R0.1051 CCOC(=O)CN(CC)CCCOC 269982a_100000220607_100000740836 [0,2,0,0,0,0|2,0,0]=4 16887 B13R0.1051 CCOC(=O)CN(CC)CCSCC 2230a_100000220607_100000757381 [0,2,0,0,0,0|2,0,0]=4 16888 B13R0.1051 CCOC(=O)CN(CC)CCSCC 269982a_100000220607_100000757381 [0,2,0,0,0,0|2,0,0]=4 16889 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCCF 7a_100000688340_100011934791 [0,2,0,0,0,0|2,0,0]=4 16890 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCCO 7a_100000688340_100011215043 [0,2,0,0,0,0|2,0,0]=4 16891 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCOC 7a_100000688340_100000233755 [0,2,0,0,0,0|2,0,0]=4 16892 B13R0.1051 CCOC(=O)C[C@@H](CCl)OCCSC 7a_100000688340_100000212216 [0,2,0,0,0,0|2,0,0]=4 16893 B13R0.1051 CCOCCN(CC)CC(=O)OCC 2230a_100000220607_100011215890 [0,2,0,0,0,0|2,0,0]=4 16894 B13R0.1051 CCOCCN(CC)CC(=O)OCC 269982a_100000220607_100011215890 [0,2,0,0,0,0|2,0,0]=4 16895 B13R0.1521 CCCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747444 [0,2,0,0,0,0|1,0,1]=4 16896 B13R0.1521 CCNC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000183381 [0,2,0,0,0,0|1,0,1]=4 16897 B13R0.1521 CCOC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000188475 [0,2,0,0,0,0|0,0,1]=3 16898 B13R0.1521 CCOC(=O)CC(=O)CCN(C)CC 1458a_100000755305_100000188475 [0,2,0,0,0,0|1,0,1]=4 16899 B13R0.1521 CCOC(=O)CC(=O)CCS(=O)CC 1458a_100011387550_100000188475 [0,2,0,0,0,0|1,0,1]=4 16900 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CC 62a_100000210311_100000758301 [0,2,0,0,0,0|1,0,1]=4 16901 B13R0.1521 CCOC(=O)CC(=O)CSC(C)CC 62a_100000758301_100000210311 [0,2,0,0,0,0|1,0,1]=4 16902 B13R0.1521 CCOC(=O)CC(=O)NCC(C)CC 240690a_100020588543_100000243816 [0,2,0,0,0,0|1,0,1]=4 16903 B13R0.1521 CCOC(=O)CC(=O)NCC(O)CC 240690a_100011218483_100000243816 [0,2,0,0,0,0|1,0,1]=4 16904 B13R0.1521 CCOC(=O)CC(C)NCC(C)CC 2230a_100020588543_100009817359 [0,2,0,0,0,0|1,0,0]=3 16905 B13R0.1521 CCOC(=O)CC(C)NCC(O)CC 2230a_100011218483_100009817359 [0,2,0,0,0,0|1,0,0]=3 16906 B13R0.1521 CCOC(=O)CC(C)NC[C@@H](C)OC 2230a_100020591295_100009817359 [0,2,0,0,0,0|2,0,0]=4 16907 B13R0.1521 CCOC(=O)CC(C)NC[C@H](O)CO 2230a_100020644852_100009817359 [0,2,0,0,0,0|2,0,0]=4 16908 B13R0.1521 CCOC(=O)CC(C)OC[C@@H](C)CC 7a_100009816381_100009817359 [0,2,0,0,0,0|1,0,0]=3 16909 B13R0.1521 CCOC(=O)CC(C)SCC(=O)CC 62a_100000747405_100009817359 [0,2,0,0,0,0|1,0,1]=4 16910 B13R0.1521 CCOC(=O)CC(C)SCC(=O)CC 62a_100009817359_100000747405 [0,2,0,0,0,0|1,0,1]=4 16911 B13R0.1521 CCOC(=O)CC(C)SCC(C)CC 62a_100000748023_100009817359 [0,2,0,0,0,0|1,0,0]=3 16912 B13R0.1521 CCOC(=O)CC(C)SCC(C)CC 62a_100009817359_100000748023 [0,2,0,0,0,0|1,0,0]=3 16913 B13R0.1521 CCOC(=O)CC(C)SCC(O)CC 62a_100009817359_100011218378 [0,2,0,0,0,0|1,0,0]=3 16914 B13R0.1521 CCOC(=O)CC(C)SCC(O)CC 62a_100011218378_100009817359 [0,2,0,0,0,0|1,0,0]=3 16915 B13R0.1521 CCOC(=O)CC(C)SCC(O)CO 62a_100009817359_100011219619 [0,2,0,0,0,0|2,0,0]=4 16916 B13R0.1521 CCOC(=O)CC(C)SCC(O)CO 62a_100011219619_100009817359 [0,2,0,0,0,0|2,0,0]=4 16917 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CC 62a_100009816398_100009817359 [0,2,0,0,0,0|1,0,0]=3 16918 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CC 62a_100009817359_100009816398 [0,2,0,0,0,0|1,0,0]=3 16919 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CO 62a_100000059175_100009817359 [0,2,0,0,0,0|2,0,0]=4 16920 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](C)CO 62a_100009817359_100000059175 [0,2,0,0,0,0|2,0,0]=4 16921 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CF 62a_100009817359_100015614560 [0,2,0,0,0,0|2,0,0]=4 16922 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CF 62a_100015614560_100009817359 [0,2,0,0,0,0|2,0,0]=4 16923 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CO 62a_100009815848_100009817359 [0,2,0,0,0,0|2,0,0]=4 16924 B13R0.1521 CCOC(=O)CC(C)SC[C@@H](O)CO 62a_100009817359_100009815848 [0,2,0,0,0,0|2,0,0]=4 16925 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(=O)CC 7a_100009816390_100000747405 [0,2,0,0,0,0|1,0,1]=4 16926 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(C)CC 7a_100009816390_100000748023 [0,2,0,0,0,0|1,0,0]=3 16927 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(O)CC 7a_100009816390_100011218378 [0,2,0,0,0,0|1,0,0]=3 16928 B13R0.1521 CCOC(=O)C[C@@H](C)OCC(O)CO 7a_100009816390_100011219619 [0,2,0,0,0,0|2,0,0]=4 16929 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](C)CC 7a_100009816390_100009816398 [0,2,0,0,0,0|1,0,0]=3 16930 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](C)CO 7a_100009816390_100000059175 [0,2,0,0,0,0|2,0,0]=4 16931 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](O)CF 7a_100009816390_100015614560 [0,2,0,0,0,0|2,0,0]=4 16932 B13R0.1521 CCOC(=O)C[C@@H](C)OC[C@@H](O)CO 7a_100009816390_100009815848 [0,2,0,0,0,0|2,0,0]=4 16933 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)CC 7a_100000210228_100000688340 [0,2,0,0,0,0|1,0,0]=3 16934 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)CF 34a_100016041109_100000688340 [0,2,0,0,0,0|2,0,0]=4 16935 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)CF 7a_100016041109_100000688340 [0,2,0,0,0,0|2,0,0]=4 16936 B13R0.1521 CCOC(=O)C[C@H](O)COC(C)CN 34a_100000210904_100000688340 [0,2,0,0,0,0|2,0,0]=4 16937 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)CC 62a_100000688340_100000758301 [0,2,0,0,0,0|1,0,0]=3 16938 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)CC 62a_100000758301_100000688340 [0,2,0,0,0,0|1,0,0]=3 16939 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)CO 62a_100012180447_100000688340 [0,2,0,0,0,0|2,0,0]=4 16940 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)OC 62a_100000688340_100009879195 [0,2,0,0,0,0|2,0,0]=4 16941 B13R0.1521 CCOC(=O)C[C@H](O)CSC(C)OC 62a_100009879195_100000688340 [0,2,0,0,0,0|2,0,0]=4 16942 B13R0.1521 CCOC(=O)C[C@H](O)CS[C@H](C)CO 62a_100000688340_100016084084 [0,2,0,0,0,0|2,0,0]=4 16943 B13R0.1521 CCOC(=O)C[C@H](O)CS[C@H](C)CO 62a_100016084084_100000688340 [0,2,0,0,0,0|2,0,0]=4 16944 B13R0.1521 CCOC(=O)OC(C)SCC(C)CC 62a_100000036008_100000748023 [0,2,0,0,0,0|2,0,0]=4 16945 B13R0.1521 CCOC(=O)OC(C)SCC(C)CC 62a_100000748023_100000036008 [0,2,0,0,0,0|2,0,0]=4 16946 B13R0.1521 CCOC(=O)OC(C)SCC(O)CC 62a_100000036008_100011218378 [0,2,0,0,0,0|2,0,0]=4 16947 B13R0.1521 CCOC(=O)OC(C)SCC(O)CC 62a_100011218378_100000036008 [0,2,0,0,0,0|2,0,0]=4 16948 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](C)CC 62a_100000036008_100009816398 [0,2,0,0,0,0|2,0,0]=4 16949 B13R0.1521 CCOC(=O)OC(C)SC[C@@H](C)CC 62a_100009816398_100000036008 [0,2,0,0,0,0|2,0,0]=4 16950 B13R0.91 C=C(C)C(=O)CCCCC(=O)OCC 1458a_100000185857_100000750268 [0,2,0,0,0,0|0,0,2]=4 16951 B13R0.91 CCNC(=O)CCNCC(O)C(C)C 2230a_100000759067_100000737597 [0,2,0,0,0,0|2,0,0]=4 16952 B13R0.91 CCNC(=O)COCCC(N)C(C)C 34a_100161115045_100000183381 [0,2,0,0,0,0|2,0,0]=4 16953 B13R0.91 CCOC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000750268 [0,2,0,0,0,0|0,0,1]=3 16954 B13R0.91 CCOC(=O)CCCCC(=O)C(C)C 1458a_100011217402_100000210206 [0,2,0,0,0,0|0,0,1]=3 16955 B13R0.91 CCOC(=O)CCCCC(=O)C(C)F 1458a_100000062450_100000750268 [0,2,0,0,0,0|0,0,1]=3 16956 B13R0.91 CCOC(=O)CCCCC(=O)C(O)O 1458a_100000233687_100000750268 [0,2,0,0,0,0|1,0,1]=4 16957 B13R0.91 CCOC(=O)CCCCC(=O)N(C)C 11a_100102631434_100011217402 [0,2,0,0,0,0|1,0,1]=4 16958 B13R0.91 CCOC(=O)CCCCC(=O)N(C)C 1626a_100102631434_100011217402 [0,2,0,0,0,0|1,0,1]=4 16959 B13R0.91 CCOC(=O)CCCCC(=O)N(C)C 240690a_100102631434_100011217402 [0,2,0,0,0,0|1,0,1]=4 16960 B13R0.91 CCOC(=O)CCCCC(=O)N(C)C 527a_100102631434_100011217402 [0,2,0,0,0,0|1,0,1]=4 16961 B13R0.91 CCOC(=O)CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000750268 [0,2,0,0,0,0|0,0,1]=3 16962 B13R0.91 CCOC(=O)CCCCC(=O)[C@H](C)O 1458a_217856618621_100000750268 [0,2,0,0,0,0|0,0,1]=3 16963 B13R0.91 CCOC(=O)CCCCN(C)C(C)C 269982a_200000211004_100000750268 [0,2,0,0,0,0|1,0,0]=3 16964 B13R0.91 CCOC(=O)CCCNC(=O)C(C)C 188690a_100000211256_100000210198 [0,2,0,0,0,0|1,0,1]=4 16965 B13R0.91 CCOC(=O)CCCNC(=O)C(C)F 188690a_100000211256_100000062450 [0,2,0,0,0,0|1,0,1]=4 16966 B13R0.91 CCOC(=O)CCCNC(=O)[C@@H](C)O 188690a_100000211256_100000717761 [0,2,0,0,0,0|1,0,1]=4 16967 B13R0.91 CCOC(=O)CCCNC(=O)[C@H](C)O 188690a_100000211256_217856618621 [0,2,0,0,0,0|1,0,1]=4 16968 B13R0.91 CCOC(=O)CCCNC(C)C(C)C 2230a_100000211541_100009991533 [0,2,0,0,0,0|1,0,0]=3 16969 B13R0.91 CCOC(=O)CCCOC(C)C(=O)C 34a_100000212229_100009991533 [0,2,0,0,0,0|1,0,1]=4 16970 B13R0.91 CCOC(=O)CCCOC(C)C(=O)C 7a_100012001163_100000179758 [0,2,0,0,0,0|1,0,1]=4 16971 B13R0.91 CCOC(=O)CCCOC(C)C(C)C 7a_100000748068_100011215271 [0,2,0,0,0,0|1,0,0]=3 16972 B13R0.91 CCOC(=O)CCCSC(C)C(=O)C 62a_100009814033_100009991533 [0,2,0,0,0,0|1,0,1]=4 16973 B13R0.91 CCOC(=O)CCCSC(C)C(=O)C 62a_100009991533_100009814033 [0,2,0,0,0,0|1,0,1]=4 16974 B13R0.91 CCOC(=O)CCNCC(O)C(C)C 2230a_100000759067_100011206558 [0,2,0,0,0,0|1,0,0]=3 16975 B13R0.91 CCOC(=O)CCNCC(O)C(C)C 34a_100000759067_100000765890 [0,2,0,0,0,0|1,0,0]=3 16976 B13R0.91 CCOC(=O)CCOCC(C)C(=O)C 34a_100000032740_100000765890 [0,2,0,0,0,0|1,0,1]=4 16977 B13R0.91 CCOC(=O)CCOCC(C)C(=O)C 7a_100000032740_100011206558 [0,2,0,0,0,0|1,0,1]=4 16978 B13R0.91 CCOC(=O)CCOC[C@H](N)C(C)C 34a_100011830312_100000765890 [0,2,0,0,0,0|1,0,0]=3 16979 B13R0.91 CCOC(=O)CCSCC(=O)C(C)C 62a_100000753385_100000765890 [0,2,0,0,0,0|1,0,1]=4 16980 B13R0.91 CCOC(=O)CCSCC(=O)C(C)C 62a_100000765890_100000753385 [0,2,0,0,0,0|1,0,1]=4 16981 B13R0.91 CCOC(=O)COCCC(=O)C(C)C 1458a_100000210198_100000088970 [0,2,0,0,0,0|1,0,1]=4 16982 B13R0.91 CCOC(=O)COCCC(=O)C(C)F 1458a_100000062450_100000088970 [0,2,0,0,0,0|1,0,1]=4 16983 B13R0.91 CCOC(=O)COCCC(=O)[C@@H](C)O 1458a_100000717761_100000088970 [0,2,0,0,0,0|1,0,1]=4 16984 B13R0.91 CCOC(=O)COCCC(=O)[C@H](C)O 1458a_217856618621_100000088970 [0,2,0,0,0,0|1,0,1]=4 16985 B13R0.91 CCOC(=O)COCCC(N)C(C)C 34a_100161115045_100000188475 [0,2,0,0,0,0|1,0,0]=3 16986 B13R0.91 CCOC(=O)COCCN(C)C(C)C 269982a_200000211004_100000088970 [0,2,0,0,0,0|2,0,0]=4 16987 B13R0.91 CCOC(=O)NCCOC(C)C(C)C 7a_100000748068_200011445536 [0,2,0,0,0,0|2,0,0]=4 16988 B13R0.423 CCNC(=O)CCOCC(C)(C)CC 7a_100000765029_100000737597 [0,2,0,0,0,0|2,0,0]=4 16989 B13R0.423 CCOC(=O)CCCNC(C)(C)CC 2230a_100000211385_100009991533 [0,2,0,0,0,0|1,0,0]=3 16990 B13R0.423 CCOC(=O)CCCNC(C)(C)CO 2230a_100000210608_100009991533 [0,2,0,0,0,0|2,0,0]=4 16991 B13R0.423 CCOC(=O)CCCOC(C)(C)CC 7a_100000210230_100011215271 [0,2,0,0,0,0|1,0,0]=3 16992 B13R0.423 CCOC(=O)CCCOC(C)(C)CC 7a_100012001163_100000210677 [0,2,0,0,0,0|1,0,0]=3 16993 B13R0.423 CCOC(=O)CCCOC(C)(C)CCl 7a_100000764493_100011215271 [0,2,0,0,0,0|2,0,0]=4 16994 B13R0.423 CCOC(=O)CCCSC(C)(C)CC 62a_100000032637_100009991533 [0,2,0,0,0,0|1,0,0]=3 16995 B13R0.423 CCOC(=O)CCCSC(C)(C)CC 62a_100009991533_100000032637 [0,2,0,0,0,0|1,0,0]=3 16996 B13R0.423 CCOC(=O)CCCSC(F)(F)CO 62a_100009991533_100011217949 [0,2,0,0,0,0|2,0,0]=4 16997 B13R0.423 CCOC(=O)CCCSC(F)(F)CO 62a_100011217949_100009991533 [0,2,0,0,0,0|2,0,0]=4 16998 B13R0.423 CCOC(=O)CCNCC(C)(C)CO 2230a_100020635058_100011206558 [0,2,0,0,0,0|2,0,0]=4 16999 B13R0.423 CCOC(=O)CCNCC(C)(C)OC 2230a_100000763424_100011206558 [0,2,0,0,0,0|2,0,0]=4 17000 B13R0.423 CCOC(=O)CCOCC(C)(C)CC 7a_100000765029_100011206558 [0,2,0,0,0,0|1,0,0]=3 17001 B13R0.423 CCOC(=O)CCOCC(C)(C)CCl 7a_100011217199_100011206558 [0,2,0,0,0,0|2,0,0]=4 17002 B13R0.423 CCOC(=O)CCOCC(F)(F)CN 34a_100000703232_100000765890 [0,2,0,0,0,0|2,0,0]=4 17003 B13R0.423 CCOC(=O)CCSCC(C)(C)CO 62a_100000765890_100009813988 [0,2,0,0,0,0|2,0,0]=4 17004 B13R0.423 CCOC(=O)CCSCC(C)(C)CO 62a_100009813988_100000765890 [0,2,0,0,0,0|2,0,0]=4 17005 B13R0.423 CCOC(=O)CCSCC(C)(C)OC 62a_100000701081_100000765890 [0,2,0,0,0,0|2,0,0]=4 17006 B13R0.423 CCOC(=O)CCSCC(C)(C)OC 62a_100000765890_100000701081 [0,2,0,0,0,0|2,0,0]=4 17007 B13R0.423 CCOC(=O)CNCCS(=O)(=O)CC 2230a_100000751051_100000188475 [0,2,0,0,0,0|2,0,0]=4 17008 B13R0.423 CCOC(=O)CNCCS(=O)(=O)CC 34a_100000751051_100000188475 [0,2,0,0,0,0|2,0,0]=4 17009 B13R0.423 CCOC(=O)COCCC(C)(C)OC 7a_100000699976_100000188475 [0,2,0,0,0,0|2,0,0]=4 17010 B13R0.423 CCOC(=O)COCCS(=O)(=O)CC 34a_200011216379_100000188475 [0,2,0,0,0,0|2,0,0]=4 17011 B13R0.423 CCOC(=O)COCCS(=O)(=O)CC 7a_200011216379_100000188475 [0,2,0,0,0,0|2,0,0]=4 17012 B13R0.423 CCOC(=O)CSCCS(=O)(=O)CC 62a_100000188475_100000756660 [0,2,0,0,0,0|2,0,0]=4 17013 B13R0.423 CCOC(=O)CSCCS(=O)(=O)CC 62a_100000756660_100000188475 [0,2,0,0,0,0|2,0,0]=4 17014 B13R0.423 CCOC(=O)NCCOC(C)(C)CC 7a_100000210230_200011445536 [0,2,0,0,0,0|2,0,0]=4 17015 B13R0.423 CCOC(=O)NCCSC(C)(C)CC 62a_100000032637_200011445536 [0,2,0,0,0,0|2,0,0]=4 17016 B13R0.1115 C#CC(CC)OCCCC(=O)OCC 34a_100000758843_100009991533 [0,2,0,0,0,0|1,0,0]=3 17017 B13R0.1115 C#CC(CC)OCCCC(=O)OCC 7a_100000758843_100011215271 [0,2,0,0,0,0|1,0,0]=3 17018 B13R0.1115 C#CC(CC)OCCNC(=O)OCC 7a_100000758843_200011445536 [0,2,0,0,0,0|2,0,0]=4 17019 B13R0.1115 C=CC(CC)OCCCC(=O)OCC 34a_100000766422_100009991533 [0,2,0,0,0,0|1,0,0]=3 17020 B13R0.1115 C=CC(CC)OCCCC(=O)OCC 7a_100000766422_100011215271 [0,2,0,0,0,0|1,0,0]=3 17021 B13R0.1115 C=CC(CC)OCCNC(=O)OCC 7a_100000766422_200011445536 [0,2,0,0,0,0|2,0,0]=4 17022 B13R0.1115 C=C[C@@H](CO)NCCCC(=O)OCC 2230a_100016989147_100009991533 [0,2,0,0,0,0|2,0,0]=4 17023 B13R0.1115 C=C[C@@H](CO)NCCCC(=O)OCC 34a_100016989147_100009991533 [0,2,0,0,0,0|2,0,0]=4 17024 B13R0.1115 CCNC(=O)CCNCC(CC)CC 2230a_100102946423_100000737597 [0,2,0,0,0,0|2,0,0]=4 17025 B13R0.1115 CCNC(=O)CCNCC(CC)CC 269862a_100025743525_100000211137 [0,2,0,0,0,0|2,0,0]=4 17026 B13R0.1115 CCNC(=O)CCNCC(CC)CC 270004a_100025743525_100000211137 [0,2,0,0,0,0|2,0,0]=4 17027 B13R0.1115 CCNC(=O)CCNCC(CC)CC 34a_100025743525_100011215472 [0,2,0,0,0,0|2,0,0]=4 17028 B13R0.1115 CCNC(=O)CCOCC(CC)CC 7a_100000703878_100000737597 [0,2,0,0,0,0|2,0,0]=4 17029 B13R0.1115 CCNC(=O)CCOCC(CC)OC 7a_100011934954_100000737597 [0,2,0,0,0,0|2,0,0]=4 17030 B13R0.1115 CCNC(=O)CCSCC(CC)CC 62a_100000737597_100011215472 [0,2,0,0,0,0|2,0,0]=4 17031 B13R0.1115 CCNC(=O)CCSCC(CC)CC 62a_100011215472_100000737597 [0,2,0,0,0,0|2,0,0]=4 17032 B13R0.1115 CCOC(=O)CCCCN(CC)CC 2230a_100000724800_100000750268 [0,2,0,0,0,0|1,0,0]=3 17033 B13R0.1115 CCOC(=O)CCCCN(CC)CC 269956a_100000042499_100000750268 [0,2,0,0,0,0|1,0,0]=3 17034 B13R0.1115 CCOC(=O)CCCCN(CC)CC 269982a_100000724800_100000750268 [0,2,0,0,0,0|1,0,0]=3 17035 B13R0.1115 CCOC(=O)CCCNC(CC)CC 2230a_100000199018_100009991533 [0,2,0,0,0,0|1,0,0]=3 17036 B13R0.1115 CCOC(=O)CCCNC(CO)CO 2230a_100000759517_100009991533 [0,2,0,0,0,0|2,0,0]=4 17037 B13R0.1115 CCOC(=O)CCCN[C@@H](CC)CO 2230a_100000709445_100009991533 [0,2,0,0,0,0|1,0,0]=3 17038 B13R0.1115 CCOC(=O)CCCOC(CC)CC 7a_100000688536_100011215271 [0,2,0,0,0,0|1,0,0]=3 17039 B13R0.1115 CCOC(=O)CCCOC(CC)CC 7a_100012001163_100000210505 [0,2,0,0,0,0|1,0,0]=3 17040 B13R0.1115 CCOC(=O)CCCOC(CCl)CCl 7a_100000737055_100011215271 [0,2,0,0,0,0|2,0,0]=4 17041 B13R0.1115 CCOC(=O)CCCOC(CF)CF 34a_100000032261_100009991533 [0,2,0,0,0,0|2,0,0]=4 17042 B13R0.1115 CCOC(=O)CCCOC(CF)CF 7a_100000032261_100011215271 [0,2,0,0,0,0|2,0,0]=4 17043 B13R0.1115 CCOC(=O)CCCOC(CN)CN 34a_100000031598_100009991533 [0,2,0,0,0,0|2,0,0]=4 17044 B13R0.1115 CCOC(=O)CCCO[C@@H](CF)CCl 34a_100015614560_100009991533 [0,2,0,0,0,0|2,0,0]=4 17045 B13R0.1115 CCOC(=O)CCCO[C@@H](CF)CCl 7a_100015614560_100011215271 [0,2,0,0,0,0|2,0,0]=4 17046 B13R0.1115 CCOC(=O)CCCSC(CC)CC 62a_100000210505_100009991533 [0,2,0,0,0,0|1,0,0]=3 17047 B13R0.1115 CCOC(=O)CCCSC(CC)CC 62a_100009991533_100000210505 [0,2,0,0,0,0|1,0,0]=3 17048 B13R0.1115 CCOC(=O)CCNCC(CC)CC 2230a_100102946423_100011206558 [0,2,0,0,0,0|1,0,0]=3 17049 B13R0.1115 CCOC(=O)CCOCC(CC)CC 7a_100000703878_100011206558 [0,2,0,0,0,0|1,0,0]=3 17050 B13R0.1115 CCOC(=O)CCOCC(CC)OC 34a_100011934954_100000765890 [0,2,0,0,0,0|1,0,0]=3 17051 B13R0.1115 CCOC(=O)CCOCC(CC)OC 7a_100011934954_100011206558 [0,2,0,0,0,0|1,0,0]=3 17052 B13R0.1115 CCOC(=O)CCOCC(OC)OC 34a_100011216393_100000765890 [0,2,0,0,0,0|2,0,0]=4 17053 B13R0.1115 CCOC(=O)CCOCN(CC)CC 7a_200015374951_100011206558 [0,2,0,0,0,0|2,0,0]=4 17054 B13R0.1115 CCOC(=O)CCSCC(CC)CC 62a_100000765890_100011215472 [0,2,0,0,0,0|1,0,0]=3 17055 B13R0.1115 CCOC(=O)CCSCC(CC)CC 62a_100011215472_100000765890 [0,2,0,0,0,0|1,0,0]=3 17056 B13R0.1115 CCOC(=O)CCSCC(OC)OC 62a_100000751394_100000765890 [0,2,0,0,0,0|2,0,0]=4 17057 B13R0.1115 CCOC(=O)CCSCC(OC)OC 62a_100000765890_100000751394 [0,2,0,0,0,0|2,0,0]=4 17058 B13R0.1115 CCOC(=O)CNCCN(CC)CC 2230a_100015382049_100000188475 [0,2,0,0,0,0|2,0,0]=4 17059 B13R0.1115 CCOC(=O)COCCN(CC)CC 2230a_100000724800_100000088970 [0,2,0,0,0,0|2,0,0]=4 17060 B13R0.1115 CCOC(=O)COCCN(CC)CC 269956a_100000042499_100000088970 [0,2,0,0,0,0|2,0,0]=4 17061 B13R0.1115 CCOC(=O)COCCN(CC)CC 269982a_100000724800_100000088970 [0,2,0,0,0,0|2,0,0]=4 17062 B13R0.1115 CCOC(=O)COCCN(CC)CC 7a_100016990331_100000188475 [0,2,0,0,0,0|2,0,0]=4 17063 B13R0.1115 CCOC(=O)CSCCC(OC)OC 62a_100000139399_100000188475 [0,2,0,0,0,0|2,0,0]=4 17064 B13R0.1115 CCOC(=O)CSCCC(OC)OC 62a_100000188475_100000139399 [0,2,0,0,0,0|2,0,0]=4 17065 B13R0.1115 CCOC(=O)CSCCN(CC)CC 62a_100000188475_100000700428 [0,2,0,0,0,0|2,0,0]=4 17066 B13R0.1115 CCOC(=O)NCCOC(CC)CC 7a_100000688536_200011445536 [0,2,0,0,0,0|2,0,0]=4 17067 B13R0.1115 CCOC(=O)NCCSC(CC)CC 62a_100000210505_200011445536 [0,2,0,0,0,0|2,0,0]=4 17068 B13R0.1115 CCOC(=O)OCSCC(CC)CC 62a_100011215472_100000075025 [0,2,0,0,0,0|2,0,0]=4 17069 B13R0.21 CC(C)(C)CCCCCC(=O)CCF 1458a_100012017116_100011217306 [0,2,0,0,0,0|2,0,0]=4 17070 B13R0.21 CC(C)(C)CCCCCC(=O)CCO 1458a_100012017116_100000211926 [0,2,0,0,0,0|2,0,0]=4 17071 B13R0.21 CCCC(=O)CCCCCC(C)(C)C 1458a_100012017116_100000210303 [0,2,0,0,0,0|1,0,0]=3 17072 B13R0.21 CCCC(=O)CCCCCC(F)(F)F 1458a_100000211992_100010187589 [0,2,0,0,0,0|2,0,0]=4 17073 B13R0.21 CCCC(=O)CCCCC[N+](C)(C)C 1458a_100000211992_100009813293 [0,2,0,0,0,0|2,0,0]=4 17074 B13R0.21 CCCC(=O)CSCCCC(C)(C)O 62a_100000747444_100009888830 [0,2,0,0,0,0|2,0,0]=4 17075 B13R0.21 CCCC(=O)CSCCCC(C)(C)O 62a_100009888830_100000747444 [0,2,0,0,0,0|2,0,0]=4 17076 B13R0.21 CCNC(=O)CCCCCC(C)(C)C 11a_100015525214_100012017116 [0,2,0,0,0,0|1,0,0]=3 17077 B13R0.21 CCNC(=O)CCCCCC(C)(C)C 240690a_100015525214_100012017116 [0,2,0,0,0,0|1,0,0]=3 17078 B13R0.21 CCNC(=O)CCCCCC(C)(C)C 527a_100015525214_100012017116 [0,2,0,0,0,0|1,0,0]=3 17079 B13R0.21 CCNC(=O)CCNCCC(C)(C)C 2230a_100000738805_100000737597 [0,2,0,0,0,0|2,0,0]=4 17080 B13R0.21 CCNC(=O)CCNCCC(C)(C)C 34a_100025743525_100000755188 [0,2,0,0,0,0|2,0,0]=4 17081 B13R0.21 CCNC(=O)CCNCCC(C)(C)F 2230a_100016253952_100000737597 [0,2,0,0,0,0|2,0,0]=4 17082 B13R0.21 CCNC(=O)CCNCCC(C)(C)O 34a_100025743525_100000702414 [0,2,0,0,0,0|2,0,0]=4 17083 B13R0.21 CCNC(=O)CCOCCC(C)(C)C 7a_100000765024_100000737597 [0,2,0,0,0,0|2,0,0]=4 17084 B13R0.21 CCNC(=O)CCSCCC(C)(C)C 62a_100000737597_100000755188 [0,2,0,0,0,0|2,0,0]=4 17085 B13R0.21 CCNC(=O)CCSCCC(C)(C)C 62a_100000755188_100000737597 [0,2,0,0,0,0|2,0,0]=4 17086 B13R0.21 CCNC(=O)CCSCCC(C)(C)O 62a_100000702414_100000737597 [0,2,0,0,0,0|2,0,0]=4 17087 B13R0.21 CCNC(=O)CCSCCC(C)(C)O 62a_100000737597_100000702414 [0,2,0,0,0,0|2,0,0]=4 17088 B13R0.21 CCNC(=O)CNCCCC(C)(C)O 2230a_100016988866_100009888830 [0,2,0,0,0,0|2,0,0]=4 17089 B13R0.21 CCNC(=O)CSCCCC(C)(C)O 62a_100000183381_100009888830 [0,2,0,0,0,0|2,0,0]=4 17090 B13R0.21 CCNC(=O)CSCCCC(C)(C)O 62a_100009888830_100000183381 [0,2,0,0,0,0|2,0,0]=4 17091 B13R0.21 CCOC(=O)CCCCNC(C)(C)C 2230a_100000715429_100000750268 [0,2,0,0,0,0|1,0,0]=3 17092 B13R0.21 CCOC(=O)CCCCOC(C)(C)C 34a_100015890283_100000750268 [0,2,0,0,0,0|1,0,0]=3 17093 B13R0.21 CCOC(=O)CCCCOC(C)(C)C 7a_100015890283_100000750268 [0,2,0,0,0,0|1,0,0]=3 17094 B13R0.21 CCOC(=O)CCCCSC(C)(C)C 62a_100000211941_100000750268 [0,2,0,0,0,0|1,0,0]=3 17095 B13R0.21 CCOC(=O)CCCCSC(C)(C)C 62a_100000750268_100000211941 [0,2,0,0,0,0|1,0,0]=3 17096 B13R0.21 CCOC(=O)CCCCSC(F)(F)F 62a_100000750268_200103152311 [0,2,0,0,0,0|2,0,0]=4 17097 B13R0.21 CCOC(=O)CCCCSC(F)(F)F 62a_200000243211_100000750268 [0,2,0,0,0,0|2,0,0]=4 17098 B13R0.21 CCOC(=O)CCCNCC(C)(C)C 2230a_100000743828_100009991533 [0,2,0,0,0,0|1,0,0]=3 17099 B13R0.21 CCOC(=O)CCCNCC(C)(C)F 2230a_100020643315_100009991533 [0,2,0,0,0,0|1,0,0]=3 17100 B13R0.21 CCOC(=O)CCCNCC(C)(C)O 2230a_100000751335_100009991533 [0,2,0,0,0,0|1,0,0]=3 17101 B13R0.21 CCOC(=O)CCCNCC(F)(F)F 34a_100000717047_100009991533 [0,2,0,0,0,0|2,0,0]=4 17102 B13R0.21 CCOC(=O)CCCOCC(C)(C)F 34a_100000716592_100009991533 [0,2,0,0,0,0|1,0,0]=3 17103 B13R0.21 CCOC(=O)CCCOCC(C)(C)O 7a_100012001163_100000764493 [0,2,0,0,0,0|1,0,0]=3 17104 B13R0.21 CCOC(=O)CCCOCC(C)(F)F 34a_100000068830_100009991533 [0,2,0,0,0,0|1,0,0]=3 17105 B13R0.21 CCOC(=O)CCCOCC(F)(F)Br 34a_100011217949_100009991533 [0,2,0,0,0,0|2,0,0]=4 17106 B13R0.21 CCOC(=O)CCCOCC(F)(F)Cl 34a_100000734434_100009991533 [0,2,0,0,0,0|2,0,0]=4 17107 B13R0.21 CCOC(=O)CCCOCC(F)(F)F 34a_100000210435_100009991533 [0,2,0,0,0,0|2,0,0]=4 17108 B13R0.21 CCOC(=O)CCCOC[Si](C)(C)C 7a_100012001163_100000233785 [0,2,0,0,0,0|1,1,0]=4 17109 B13R0.21 CCOC(=O)CCCSCC(C)(C)C 62a_100009991533_100011219605 [0,2,0,0,0,0|1,0,0]=3 17110 B13R0.21 CCOC(=O)CCCSCC(C)(C)C 62a_100011219605_100009991533 [0,2,0,0,0,0|1,0,0]=3 17111 B13R0.21 CCOC(=O)CCCSCC(C)(C)F 62a_100009991533_100011997219 [0,2,0,0,0,0|1,0,0]=3 17112 B13R0.21 CCOC(=O)CCCSCC(C)(C)F 62a_100011997219_100009991533 [0,2,0,0,0,0|1,0,0]=3 17113 B13R0.21 CCOC(=O)CCCSCC(C)(C)O 62a_100000764493_100009991533 [0,2,0,0,0,0|1,0,0]=3 17114 B13R0.21 CCOC(=O)CCCSCC(C)(C)O 62a_100009991533_100000764493 [0,2,0,0,0,0|1,0,0]=3 17115 B13R0.21 CCOC(=O)CCCSCC(F)(F)F 62a_100000763148_100009991533 [0,2,0,0,0,0|2,0,0]=4 17116 B13R0.21 CCOC(=O)CCCSCC(F)(F)F 62a_100009991533_100000763148 [0,2,0,0,0,0|2,0,0]=4 17117 B13R0.21 CCOC(=O)CCCSC[N+](C)(C)C 62a_100009991533_200000036245 [0,2,0,0,0,0|2,0,0]=4 17118 B13R0.21 CCOC(=O)CCCSC[N+](C)(C)C 62a_200000036245_100009991533 [0,2,0,0,0,0|2,0,0]=4 17119 B13R0.21 CCOC(=O)CCCSC[Si](C)(C)C 62a_100000037933_100009991533 [0,2,0,0,0,0|1,1,0]=4 17120 B13R0.21 CCOC(=O)CCCSC[Si](C)(C)C 62a_100009991533_100000037933 [0,2,0,0,0,0|1,1,0]=4 17121 B13R0.21 CCOC(=O)CCNCCC(C)(C)C 2230a_100000738805_100011206558 [0,2,0,0,0,0|1,0,0]=3 17122 B13R0.21 CCOC(=O)CCNCCC(C)(C)F 2230a_100016253952_100011206558 [0,2,0,0,0,0|1,0,0]=3 17123 B13R0.21 CCOC(=O)CCNCCC(F)(F)F 2230a_100000740434_100011206558 [0,2,0,0,0,0|2,0,0]=4 17124 B13R0.21 CCOC(=O)CCNCCC(F)(F)F 34a_100000740434_100000765890 [0,2,0,0,0,0|2,0,0]=4 17125 B13R0.21 CCOC(=O)CCNCCS(=O)(=O)C 2230a_100000740961_100011206558 [0,2,0,0,0,0|2,0,0]=4 17126 B13R0.21 CCOC(=O)CCNCCS(=O)(=O)C 34a_100000740961_100000765890 [0,2,0,0,0,0|2,0,0]=4 17127 B13R0.21 CCOC(=O)CCOCCC(C)(C)C 7a_100000765024_100011206558 [0,2,0,0,0,0|1,0,0]=3 17128 B13R0.21 CCOC(=O)CCOCCC(F)(F)F 34a_100000752437_100000765890 [0,2,0,0,0,0|2,0,0]=4 17129 B13R0.21 CCOC(=O)CCOCCS(=O)(=O)C 34a_100000211924_100000765890 [0,2,0,0,0,0|2,0,0]=4 17130 B13R0.21 CCOC(=O)CCOCCS(=O)(=O)C 7a_100000211924_100011206558 [0,2,0,0,0,0|2,0,0]=4 17131 B13R0.21 CCOC(=O)CCOCC[N+](C)(C)C 7a_200020618287_100011206558 [0,2,0,0,0,0|2,0,0]=4 17132 B13R0.21 CCOC(=O)CCOCC[Si](C)(C)C 7a_100000039746_100011206558 [0,2,0,0,0,0|1,1,0]=4 17133 B13R0.21 CCOC(=O)CCSCCC(C)(C)C 62a_100000755188_100000765890 [0,2,0,0,0,0|1,0,0]=3 17134 B13R0.21 CCOC(=O)CCSCCC(C)(C)C 62a_100000765890_100000755188 [0,2,0,0,0,0|1,0,0]=3 17135 B13R0.21 CCOC(=O)CCSCCC(C)(C)O 62a_100000702414_100000765890 [0,2,0,0,0,0|1,0,0]=3 17136 B13R0.21 CCOC(=O)CCSCCC(C)(C)O 62a_100000765890_100000702414 [0,2,0,0,0,0|1,0,0]=3 17137 B13R0.21 CCOC(=O)CCSCCC(F)(F)F 62a_100000765890_100011219754 [0,2,0,0,0,0|2,0,0]=4 17138 B13R0.21 CCOC(=O)CCSCCC(F)(F)F 62a_100011219754_100000765890 [0,2,0,0,0,0|2,0,0]=4 17139 B13R0.21 CCOC(=O)CCSCCS(=O)(=O)C 62a_100000731031_100000765890 [0,2,0,0,0,0|2,0,0]=4 17140 B13R0.21 CCOC(=O)CCSCCS(=O)(=O)C 62a_100000765890_100000230027 [0,2,0,0,0,0|2,0,0]=4 17141 B13R0.21 CCOC(=O)CCSCC[N+](C)(C)C 62a_100000085578_100000765890 [0,2,0,0,0,0|2,0,0]=4 17142 B13R0.21 CCOC(=O)CCSCC[N+](C)(C)C 62a_100000765890_100000085578 [0,2,0,0,0,0|2,0,0]=4 17143 B13R0.21 CCOC(=O)CCSCC[Si](C)(C)C 62a_100000765890_200000733723 [0,2,0,0,0,0|1,1,0]=4 17144 B13R0.21 CCOC(=O)CCSCC[Si](C)(C)C 62a_200000733723_100000765890 [0,2,0,0,0,0|1,1,0]=4 17145 B13R0.21 CCOC(=O)CNCCCC(F)(F)F 2230a_100000727188_100000188475 [0,2,0,0,0,0|2,0,0]=4 17146 B13R0.21 CCOC(=O)CNCCCC(F)(F)F 34a_100000727188_100000188475 [0,2,0,0,0,0|2,0,0]=4 17147 B13R0.21 CCOC(=O)CNCCCS(=O)(=O)C 2230a_100000742409_100000188475 [0,2,0,0,0,0|2,0,0]=4 17148 B13R0.21 CCOC(=O)CNCCCS(=O)(=O)C 34a_100000742409_100000188475 [0,2,0,0,0,0|2,0,0]=4 17149 B13R0.21 CCOC(=O)CNCCOC(C)(C)C 2230a_100000747557_100000188475 [0,2,0,0,0,0|2,0,0]=4 17150 B13R0.21 CCOC(=O)CNCCSC(C)(C)C 2230a_100000689375_100000188475 [0,2,0,0,0,0|2,0,0]=4 17151 B13R0.21 CCOC(=O)COCCCC(F)(F)F 34a_100000749235_100000188475 [0,2,0,0,0,0|2,0,0]=4 17152 B13R0.21 CCOC(=O)COCCCS(=O)(=O)C 34a_100000689940_100000188475 [0,2,0,0,0,0|2,0,0]=4 17153 B13R0.21 CCOC(=O)COCCCS(=O)(=O)C 7a_100000689940_100000188475 [0,2,0,0,0,0|2,0,0]=4 17154 B13R0.21 CCOC(=O)COCCC[Si](C)(C)C 7a_200011215415_100000188475 [0,2,0,0,0,0|1,1,0]=4 17155 B13R0.21 CCOC(=O)COCCNC(C)(C)C 2230a_100000715429_100000088970 [0,2,0,0,0,0|2,0,0]=4 17156 B13R0.21 CCOC(=O)COCCOC(C)(C)C 34a_100000693234_100000188475 [0,2,0,0,0,0|2,0,0]=4 17157 B13R0.21 CCOC(=O)COCCOC(C)(C)C 34a_100015890283_100000088970 [0,2,0,0,0,0|2,0,0]=4 17158 B13R0.21 CCOC(=O)COCCOC(C)(C)C 7a_100000693234_100000188475 [0,2,0,0,0,0|2,0,0]=4 17159 B13R0.21 CCOC(=O)COCCOC(C)(C)C 7a_100015890283_100000088970 [0,2,0,0,0,0|2,0,0]=4 17160 B13R0.21 CCOC(=O)COCCSC(C)(C)C 62a_100000088970_100000211941 [0,2,0,0,0,0|2,0,0]=4 17161 B13R0.21 CCOC(=O)COCCSC(C)(C)C 62a_100000211941_100000088970 [0,2,0,0,0,0|2,0,0]=4 17162 B13R0.21 CCOC(=O)CSCCCC(C)(C)O 62a_100000188475_100009888830 [0,2,0,0,0,0|1,0,0]=3 17163 B13R0.21 CCOC(=O)CSCCCC(C)(C)O 62a_100009888830_100000188475 [0,2,0,0,0,0|1,0,0]=3 17164 B13R0.21 CCOC(=O)CSCCCC(F)(F)F 62a_100000188475_100011216173 [0,2,0,0,0,0|2,0,0]=4 17165 B13R0.21 CCOC(=O)CSCCCC(F)(F)F 62a_100011216173_100000188475 [0,2,0,0,0,0|2,0,0]=4 17166 B13R0.21 CCOC(=O)CSCCCS(=O)(=O)C 62a_100000188475_100000754308 [0,2,0,0,0,0|2,0,0]=4 17167 B13R0.21 CCOC(=O)CSCCCS(=O)(=O)C 62a_100000754308_100000188475 [0,2,0,0,0,0|2,0,0]=4 17168 B13R0.21 CCOC(=O)CSCCC[N+](C)(C)C 62a_100000188475_100016990835 [0,2,0,0,0,0|2,0,0]=4 17169 B13R0.21 CCOC(=O)CSCCC[N+](C)(C)C 62a_100016990835_100000188475 [0,2,0,0,0,0|2,0,0]=4 17170 B13R0.21 CCOC(=O)CSCCC[Si](C)(C)C 62a_100000188475_100011219597 [0,2,0,0,0,0|1,1,0]=4 17171 B13R0.21 CCOC(=O)CSCCC[Si](C)(C)C 62a_100011219597_100000188475 [0,2,0,0,0,0|1,1,0]=4 17172 B13R0.21 CCOC(=O)NCCOCC(C)(C)C 34a_100000158857_100011219605 [0,2,0,0,0,0|2,0,0]=4 17173 B13R0.21 CCOC(=O)NCCOCC(C)(C)F 34a_100000158857_100011997219 [0,2,0,0,0,0|2,0,0]=4 17174 B13R0.21 CCOC(=O)NCCOCC(C)(C)O 34a_100000158857_100000764493 [0,2,0,0,0,0|2,0,0]=4 17175 B13R0.21 CCOC(=O)NCCSCC(C)(C)C 62a_100011219605_200011445536 [0,2,0,0,0,0|2,0,0]=4 17176 B13R0.21 CCOC(=O)NCCSCC(C)(C)F 62a_100011997219_200011445536 [0,2,0,0,0,0|2,0,0]=4 17177 B13R0.21 CCOC(=O)NCCSCC(C)(C)O 62a_100000764493_200011445536 [0,2,0,0,0,0|2,0,0]=4 17178 B13R0.21 CCOC(=O)OCSCCC(C)(C)C 62a_100000755188_100000075025 [0,2,0,0,0,0|2,0,0]=4 17179 B13R0.21 CCOC(=O)OCSCCC(C)(C)O 62a_100000702414_100000075025 [0,2,0,0,0,0|2,0,0]=4 17180 B13R0.21 CNNC(=O)CCCCCC(C)(C)C 22a_100016993582_100012017116 [0,2,0,0,0,0|2,0,0]=4 17181 B13R0.1523 CCCC(=O)COCC(C)(C)CCC 7a_100011995695_100000747444 [0,2,0,0,0,0|2,0,0]=4 17182 B13R0.1523 CCCC(C)(C)COCC(=O)NCC 7a_100011995695_100000183381 [0,2,0,0,0,0|2,0,0]=4 17183 B13R0.1523 CCCC(C)(C)COCC(=O)OCC 7a_100011995695_100000188475 [0,2,0,0,0,0|1,0,0]=3 17184 B13R0.1523 CCCC(C)(C)OCCC(=O)NCC 7a_100000748436_100000737597 [0,2,0,0,0,0|2,0,0]=4 17185 B13R0.1523 CCCC(C)(C)OCCC(=O)OCC 7a_100000748436_100011206558 [0,2,0,0,0,0|1,0,0]=3 17186 B13R0.1523 CCNC(C)(C)COCC(=O)OCC 7a_100000747347_100000188475 [0,2,0,0,0,0|2,0,0]=4 17187 B13R0.1523 CCOC(=O)CCNC(C)(C)COC 2230a_100000752728_100011206558 [0,2,0,0,0,0|2,0,0]=4 17188 B13R0.1523 CCOC(=O)CCNC(C)(C)CSC 2230a_100000759623_100011206558 [0,2,0,0,0,0|2,0,0]=4 17189 B13R0.1523 CCOC(=O)CCNC(C)(C)CSC 7a_100000759623_100011206558 [0,2,0,0,0,0|2,0,0]=4 17190 B13R0.1523 CCOC(=O)CCOC(C)(C)CCBr 7a_100000702414_100011206558 [0,2,0,0,0,0|2,0,0]=4 17191 B13R0.1523 CCOC(=O)CNCC(C)(C)COC 2230a_100000734190_100000188475 [0,2,0,0,0,0|2,0,0]=4 17192 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [1,0,0,1,0,0|1,0,1]=4 17193 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [1,0,0,1,0,0|1,0,1]=4 17194 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [1,0,0,1,0,0|1,0,0]=3 17195 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [1,0,0,1,0,0|1,0,0]=3 17196 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [1,0,0,1,0,0|2,0,0]=4 17197 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [1,0,0,1,0,0|2,0,0]=4 17198 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [1,0,0,1,0,0|2,0,0]=4 17199 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [1,0,0,1,0,0|2,0,0]=4 17200 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [1,0,0,1,0,0|2,0,0]=4 17201 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [1,0,0,1,0,0|2,0,0]=4 17202 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [1,0,0,1,0,0|1,0,0]=3 17203 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [1,0,0,1,0,0|1,0,0]=3 17204 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [1,0,0,1,0,0|1,0,0]=3 17205 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [1,0,0,1,0,0|2,0,0]=4 17206 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [1,0,0,1,0,0|2,0,0]=4 17207 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [1,0,0,1,0,0|2,0,0]=4 17208 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [1,0,0,1,0,0|2,0,0]=4 17209 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [1,0,0,1,0,0|2,0,0]=4 17210 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [1,0,0,1,0,0|2,0,0]=4 17211 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [1,0,0,1,0,0|2,0,0]=4 17212 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [1,0,0,1,0,0|2,0,0]=4 17213 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [1,0,0,1,0,0|2,0,0]=4 17214 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [1,0,0,1,0,0|2,0,0]=4 17215 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [1,0,0,1,0,0|2,0,0]=4 17216 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [1,0,0,1,0,0|2,0,0]=4 17217 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [1,0,0,1,0,0|1,0,1]=4 17218 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [1,0,0,1,0,0|1,0,1]=4 17219 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [1,0,0,1,0,0|2,0,0]=4 17220 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [1,0,0,1,0,0|2,0,0]=4 17221 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [1,0,0,1,0,0|2,0,0]=4 17222 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [1,0,0,1,0,0|2,0,0]=4 17223 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [1,0,0,1,0,0|2,0,0]=4 17224 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [1,0,0,1,0,0|2,0,0]=4 17225 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [1,0,0,1,0,0|2,0,0]=4 17226 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [1,0,0,1,0,0|2,0,0]=4 17227 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [1,0,0,1,0,0|2,0,0]=4 17228 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [1,0,0,1,0,0|2,0,0]=4 17229 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [1,0,0,1,0,0|2,0,0]=4 17230 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [1,0,0,1,0,0|2,0,0]=4 17231 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [1,0,0,1,0,0|2,0,0]=4 17232 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [1,0,0,1,0,0|2,0,0]=4 17233 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [1,0,0,1,0,0|2,0,0]=4 17234 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [1,0,0,1,0,0|1,0,0]=3 17235 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [1,0,0,1,0,0|2,0,0]=4 17236 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [1,0,0,1,0,0|2,0,0]=4 17237 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [1,0,0,1,0,0|2,0,0]=4 17238 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [1,0,0,1,0,0|2,0,0]=4 17239 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [1,0,0,1,0,0|2,0,0]=4 17240 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [1,0,0,1,0,0|2,0,0]=4 17241 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [1,0,0,1,0,0|2,0,0]=4 17242 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [1,0,0,1,0,0|2,0,0]=4 17243 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [1,0,0,1,0,0|2,0,0]=4 17244 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [1,0,0,1,0,0|1,0,1]=4 17245 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [1,0,0,1,0,0|1,0,1]=4 17246 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [1,0,0,1,0,0|1,0,0]=3 17247 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [1,0,0,1,0,0|1,0,0]=3 17248 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [1,0,0,1,0,0|2,0,0]=4 17249 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [1,0,0,1,0,0|2,0,0]=4 17250 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [1,0,0,1,0,0|2,0,0]=4 17251 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [1,0,0,1,0,0|2,0,0]=4 17252 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [1,0,0,1,0,0|2,0,0]=4 17253 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [1,0,0,1,0,0|2,0,0]=4 17254 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [1,0,0,1,0,0|2,0,0]=4 17255 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [1,0,0,1,0,0|2,0,0]=4 17256 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [1,0,0,1,0,0|2,0,0]=4 17257 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [1,0,0,1,0,0|2,0,0]=4 17258 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [1,0,0,1,0,0|1,0,0]=3 17259 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [1,0,0,1,0,0|1,0,0]=3 17260 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [1,0,0,1,0,0|1,0,0]=3 17261 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [1,0,0,1,0,0|2,0,0]=4 17262 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [1,0,0,1,0,0|2,0,0]=4 17263 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [1,0,0,1,0,0|2,0,0]=4 17264 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [1,0,0,1,0,0|2,0,0]=4 17265 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [1,0,0,1,0,0|2,0,0]=4 17266 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [1,0,0,1,0,0|2,0,0]=4 17267 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [1,0,0,1,0,0|2,0,0]=4 17268 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [1,0,0,1,0,0|2,0,0]=4 17269 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [1,0,0,1,0,0|2,0,0]=4 17270 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [1,0,0,1,0,0|2,0,0]=4 17271 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [1,0,0,1,0,0|2,0,0]=4 17272 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [1,0,0,1,0,0|2,0,0]=4 17273 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [1,0,0,1,0,0|2,0,0]=4 17274 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [1,0,0,1,0,0|1,0,0]=3 17275 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [1,0,0,1,0,0|1,0,0]=3 17276 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [1,0,0,1,0,0|2,0,0]=4 17277 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [1,0,0,1,0,0|2,0,0]=4 17278 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [1,0,0,1,0,0|2,0,0]=4 17279 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [1,0,0,1,0,0|2,0,0]=4 17280 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [1,0,0,1,0,0|2,0,0]=4 17281 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [1,0,0,1,0,0|2,0,0]=4 17282 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [1,0,0,1,0,0|2,0,0]=4 17283 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [1,0,0,1,0,0|2,0,0]=4 17284 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [1,0,0,1,0,0|1,0,1]=4 17285 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [1,0,0,1,0,0|1,0,1]=4 17286 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [1,0,0,1,0,0|2,0,0]=4 17287 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [1,0,0,1,0,0|2,0,0]=4 17288 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [1,0,0,1,0,0|2,0,0]=4 17289 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [1,0,0,1,0,0|2,0,0]=4 17290 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [1,0,0,1,0,0|2,0,0]=4 17291 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [1,0,0,1,0,0|2,0,0]=4 17292 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,0,0,1,0,0|1,0,0]=3 17293 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,0,0,1,0,0|1,0,0]=3 17294 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [1,0,0,1,0,0|2,0,0]=4 17295 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [1,0,0,1,0,0|2,0,0]=4 17296 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [1,0,0,1,0,0|2,0,0]=4 17297 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,0,0,1,0,0|1,0,0]=3 17298 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,0,0,1,0,0|1,0,0]=3 17299 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [1,0,0,1,0,0|2,0,0]=4 17300 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [1,0,0,1,0,0|2,0,0]=4 17301 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [1,0,0,1,0,0|2,0,0]=4 17302 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,0,0,1,0,0|1,0,0]=3 17303 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,0,0,1,0,0|1,0,0]=3 17304 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [1,0,0,1,0,0|2,0,0]=4 17305 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [1,0,0,1,0,0|2,0,0]=4 17306 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [1,0,0,1,0,0|2,0,0]=4 17307 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [1,0,0,1,0,0|2,0,0]=4 17308 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [1,0,0,1,0,0|2,0,0]=4 17309 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [1,0,0,1,0,0|2,0,0]=4 17310 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [1,0,0,1,0,0|2,0,0]=4 17311 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [1,0,0,1,0,0|2,0,0]=4 17312 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [1,0,0,1,0,0|2,0,0]=4 17313 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [1,0,0,1,0,0|2,0,0]=4 17314 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [1,0,0,1,0,0|2,0,0]=4 17315 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [1,0,0,1,0,0|2,0,0]=4 17316 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [1,0,0,1,0,0|2,0,0]=4 17317 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [1,0,0,1,0,0|2,0,0]=4 17318 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [1,0,0,1,0,0|2,0,0]=4 17319 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [1,0,0,1,0,0|2,0,0]=4 17320 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [1,0,0,1,0,0|2,0,0]=4 17321 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [1,0,0,1,0,0|2,0,0]=4 17322 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [1,0,0,1,0,0|2,0,0]=4 17323 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [1,0,0,1,0,0|2,0,0]=4 17324 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [1,0,0,1,0,0|2,0,0]=4 17325 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [1,0,0,1,0,0|2,0,0]=4 17326 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [1,0,0,1,0,0|1,0,1]=4 17327 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [1,0,0,1,0,0|2,0,0]=4 17328 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [1,0,0,1,0,0|2,0,0]=4 17329 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [1,0,0,1,0,0|1,0,0]=3 17330 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [1,0,0,1,0,0|2,0,0]=4 17331 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [1,0,0,1,0,0|2,0,0]=4 17332 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 17333 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 17334 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [1,0,0,1,0,0|2,0,0]=4 17335 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [1,0,0,1,0,0|2,0,0]=4 17336 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [1,0,0,1,0,0|1,0,0]=3 17337 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [1,0,0,1,0,0|1,0,0]=3 17338 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [1,0,0,1,0,0|1,0,0]=3 17339 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [1,0,0,1,0,0|2,0,0]=4 17340 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [1,0,0,1,0,0|2,0,0]=4 17341 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [1,0,0,1,0,0|2,0,0]=4 17342 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [1,0,0,1,0,0|2,0,0]=4 17343 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [1,0,0,1,0,0|2,0,0]=4 17344 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [1,0,0,1,0,0|2,0,0]=4 17345 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [1,0,0,1,0,0|2,0,0]=4 17346 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [1,0,0,1,0,0|2,0,0]=4 17347 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [1,0,0,1,0,0|2,0,0]=4 17348 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [1,0,0,1,0,0|2,0,0]=4 17349 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [1,0,0,1,0,0|2,0,0]=4 17350 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [1,0,0,1,0,0|2,0,0]=4 17351 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [1,0,0,1,0,0|2,0,0]=4 17352 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [1,0,0,1,0,0|1,0,0]=3 17353 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [1,0,0,1,0,0|1,0,0]=3 17354 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [1,0,0,1,0,0|1,0,0]=3 17355 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [1,0,0,1,0,0|1,0,0]=3 17356 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [1,0,0,1,0,0|2,0,0]=4 17357 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [1,0,0,1,0,0|2,0,0]=4 17358 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [1,0,0,1,0,0|2,0,0]=4 17359 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [1,0,0,1,0,0|2,0,0]=4 17360 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [1,0,0,1,0,0|2,0,0]=4 17361 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [1,0,0,1,0,0|2,0,0]=4 17362 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [1,0,0,1,0,0|2,0,0]=4 17363 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [1,0,0,1,0,0|2,0,0]=4 17364 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [1,0,0,1,0,0|2,0,0]=4 17365 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [1,0,0,1,0,0|2,0,0]=4 17366 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [1,0,0,1,0,0|2,0,0]=4 17367 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [1,0,0,1,0,0|2,0,0]=4 17368 B11R1.289 CCNC(=O)CCN1CCC1 269982a_100000754969_100000737597 [1,0,0,1,0,0|2,0,0]=4 17369 B11R1.289 CCNC(=O)CNC1CCC1 2230a_100000749019_100000183381 [1,0,0,1,0,0|2,0,0]=4 17370 B11R1.289 CCNC(=O)CNC1CCC1 270004a_100016988866_100000241760 [1,0,0,1,0,0|2,0,0]=4 17371 B11R1.289 CCNC(=O)CNC1CCC1 34a_100000749019_100000183381 [1,0,0,1,0,0|2,0,0]=4 17372 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [1,0,0,1,0,0|2,0,0]=4 17373 B11R1.289 CCNC(=O)CSC1CCC1 62a_100000183381_100000749161 [1,0,0,1,0,0|2,0,0]=4 17374 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [1,0,0,1,0,0|2,0,0]=4 17375 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [1,0,0,1,0,0|2,0,0]=4 17376 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [1,0,0,1,0,0|2,0,0]=4 17377 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [1,0,0,1,0,0|2,0,0]=4 17378 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [1,0,0,1,0,0|2,0,0]=4 17379 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [1,0,0,1,0,0|2,0,0]=4 17380 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [1,0,0,1,0,0|1,0,0]=3 17381 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [1,0,0,1,0,0|1,0,0]=3 17382 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [1,0,0,1,0,0|1,0,0]=3 17383 B11R1.289 CCOC(=O)CNC1COC1 2230a_100016991112_100000188475 [1,0,0,1,0,0|2,0,0]=4 17384 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [1,0,0,1,0,0|1,0,0]=3 17385 B11R1.289 CCOC(=O)COC1CSC1 7a_100000072292_100000188475 [1,0,0,1,0,0|2,0,0]=4 17386 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [1,0,0,1,0,0|1,0,0]=3 17387 B11R1.289 CCOC(=O)CSC1COC1 62a_100000188475_100009818527 [1,0,0,1,0,0|2,0,0]=4 17388 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [1,0,0,1,0,0|2,0,0]=4 17389 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [1,0,0,1,0,0|2,0,0]=4 17390 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [1,0,0,1,0,0|2,0,0]=4 17391 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [1,0,0,1,0,0|2,0,0]=4 17392 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [1,0,0,1,0,0|2,0,0]=4 17393 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [1,0,0,1,0,0|2,0,0]=4 17394 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [1,0,0,1,0,0|2,0,0]=4 17395 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [1,0,0,1,0,0|2,0,0]=4 17396 B11R1.290 CCNC(=O)CCNC1CC1 34a_100025743525_100000211595 [1,0,0,1,0,0|2,0,0]=4 17397 B11R1.290 CCNC(=O)CCSC1CC1 62a_100000737597_100000211595 [1,0,0,1,0,0|2,0,0]=4 17398 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100000735609_100000183381 [1,0,0,1,0,0|2,0,0]=4 17399 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100016988866_100000742324 [1,0,0,1,0,0|2,0,0]=4 17400 B11R1.290 CCNC(=O)CNCC1CC1 34a_100000735609_100000183381 [1,0,0,1,0,0|2,0,0]=4 17401 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [1,0,0,1,0,0|2,0,0]=4 17402 B11R1.290 CCNC(=O)CSCC1CC1 11a_100015525214_200011316215 [1,0,0,1,0,0|2,0,0]=4 17403 B11R1.290 CCNC(=O)CSCC1CC1 240690a_100015525214_200011316215 [1,0,0,1,0,0|2,0,0]=4 17404 B11R1.290 CCNC(=O)CSCC1CC1 527a_100015525214_200011316215 [1,0,0,1,0,0|2,0,0]=4 17405 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000183381_100000742324 [1,0,0,1,0,0|2,0,0]=4 17406 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000756562_100000183381 [1,0,0,1,0,0|2,0,0]=4 17407 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [1,0,0,1,0,0|2,0,0]=4 17408 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [1,0,0,1,0,0|2,0,0]=4 17409 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [1,0,0,1,0,0|2,0,0]=4 17410 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [1,0,0,1,0,0|2,0,0]=4 17411 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [1,0,0,1,0,0|2,0,0]=4 17412 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [1,0,0,1,0,0|2,0,0]=4 17413 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [1,0,0,1,0,0|1,0,0]=3 17414 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [1,0,0,1,0,0|1,0,0]=3 17415 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [1,0,0,1,0,0|1,0,0]=3 17416 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [1,0,0,1,0,0|1,0,0]=3 17417 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [1,0,0,1,0,0|1,0,0]=3 17418 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [1,0,0,1,0,0|2,0,0]=4 17419 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [1,0,0,1,0,0|1,0,0]=3 17420 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [1,0,0,1,0,0|1,0,0]=3 17421 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [1,0,0,1,0,0|2,0,0]=4 17422 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [1,0,0,1,0,0|2,0,0]=4 17423 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000031435_100000188475 [1,0,0,1,0,0|2,0,0]=4 17424 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000188475_100000031435 [1,0,0,1,0,0|2,0,0]=4 17425 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [1,0,0,1,0,0|2,0,0]=4 17426 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [1,0,0,1,0,0|2,0,0]=4 17427 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [1,0,0,1,0,0|2,0,0]=4 17428 B11R1.291 CCNC(=O)CN1CCC1C 269982a_100000755817_100000183381 [1,0,0,1,0,0|2,0,0]=4 17429 B11R1.291 CCNC(=O)CN1CCC1C 34a_100000755817_100000183381 [1,0,0,1,0,0|2,0,0]=4 17430 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [1,0,0,1,0,0|1,0,0]=3 17431 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [1,0,0,1,0,0|1,0,0]=3 17432 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [1,0,0,1,0,0|1,0,0]=3 17433 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [1,0,0,1,0,0|2,0,0]=4 17434 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [1,0,0,1,0,0|2,0,0]=4 17435 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [1,0,0,1,0,0|2,0,0]=4 17436 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [1,0,0,1,0,0|2,0,0]=4 17437 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [1,0,0,1,0,0|2,0,0]=4 17438 B11R1.356 CCCCNCC(=O)C1CC1 2230a_100000102301_100000746382 [1,0,0,1,0,0|2,0,0]=4 17439 B11R1.356 CCCCNCC(=O)C1CC1 7a_106832991798_100000746382 [1,0,0,1,0,0|2,0,0]=4 17440 B11R1.356 CCCCOCC(=O)C1CC1 1458a_100000210395_100011995733 [1,0,0,1,0,0|2,0,0]=4 17441 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000210227_100000746382 [1,0,0,1,0,0|2,0,0]=4 17442 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000686663_100000210210 [1,0,0,1,0,0|2,0,0]=4 17443 B11R1.356 CCCCOCC(=O)C1CC1 7a_100000210227_100000746382 [1,0,0,1,0,0|2,0,0]=4 17444 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000210211_100000746382 [1,0,0,1,0,0|2,0,0]=4 17445 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000746382_100000210210 [1,0,0,1,0,0|2,0,0]=4 17446 B11R1.356 CCCOCCC(=O)C1CC1 1458a_100000210395_100011215938 [1,0,0,1,0,0|2,0,0]=4 17447 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [1,0,0,1,0,0|2,0,0]=4 17448 B11R1.356 COCCCCC(=O)C1CC1 1458a_100000210395_100000755781 [1,0,0,1,0,0|2,0,0]=4 17449 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [1,0,0,1,0,0|2,0,0]=4 17450 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [1,0,0,1,0,0|2,0,0]=4 17451 B11R1.779 CCOC1(CCCCCC1)C 34a_100000708895_100000210202 [1,0,0,1,0,0|1,0,1]=4 17452 B11R1.779 CCOC1(CCCCCC1)C 7a_100000708895_100000210202 [1,0,0,1,0,0|1,0,1]=4 17453 B11R1.17 CCCNC1CCCCC1C 2230a_100000211402_100000210303 [1,0,0,1,0,0|2,0,0]=4 17454 B11R1.17 CCCNC1CCCCC1C 269862a_100020643023_100000210921 [1,0,0,1,0,0|2,0,0]=4 17455 B11R1.17 CCCNC1CCCCC1C 270004a_100020643023_100000210921 [1,0,0,1,0,0|2,0,0]=4 17456 B11R1.17 CCCNC1CCCCC1C 34a_100000211402_100000210303 [1,0,0,1,0,0|2,0,0]=4 17457 B11R1.17 CCCOC1CCCCC1C 34a_100000211207_100000210303 [1,0,0,1,0,0|2,0,0]=4 17458 B11R1.17 CCCOC1CCCCC1C 7a_100000211207_100000210303 [1,0,0,1,0,0|2,0,0]=4 17459 B11R1.17 CCOCC1CCCCN1C 34a_100000225079_100000210202 [1,0,0,1,0,0|1,0,1]=4 17460 B11R1.17 CCOCC1CCCCN1C 34a_100121572206_100015186950 [1,0,0,1,0,0|1,0,1]=4 17461 B11R1.17 CCOCN1CCCCC1C 269982a_100000211376_100000739092 [1,0,0,1,0,0|1,0,1]=4 17462 B11R1.18 CCCNC1CCCC1CC 269862a_100020643023_100000749056 [1,0,0,1,0,0|2,0,0]=4 17463 B11R1.18 CCCNC1CCCC1CC 270004a_100020643023_100000749056 [1,0,0,1,0,0|2,0,0]=4 17464 B11R1.18 CCOCN1CCCC1CC 269982a_100000754278_100000739092 [1,0,0,1,0,0|1,0,1]=4 17465 B11R1.18 CCOC[C@H]1CCCN1CC 34a_100011739246_100000210202 [1,0,0,1,0,0|1,0,1]=4 17466 B11R1.18 CCOC[C@H]1CCCN1CC 7a_100011739246_100000210202 [1,0,0,1,0,0|1,0,1]=4 17467 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [1,0,0,1,0,0|2,0,0]=4 17468 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [1,0,0,1,0,0|2,0,0]=4 17469 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [1,0,0,1,0,0|2,0,0]=4 17470 B11R1.28 CCCCCN1CCOCC1 2230a_100015191051_100000210326 [1,0,0,1,0,0|1,0,1]=4 17471 B11R1.28 CCCCCN1CCOCC1 269982a_100015191051_100000210215 [1,0,0,1,0,0|1,0,1]=4 17472 B11R1.28 CCCCCN1CCOCC1 34a_100015191051_100000718602 [1,0,0,1,0,0|1,0,1]=4 17473 B11R1.28 CCCCNC1CCOCC1 2230a_100000741149_100000210211 [1,0,0,1,0,0|1,0,1]=4 17474 B11R1.28 CCCCNC1CCOCC1 270004a_100000102301_100011217826 [1,0,0,1,0,0|1,0,1]=4 17475 B11R1.28 CCCCNC1CCOCC1 34a_100000741149_100000210210 [1,0,0,1,0,0|1,0,1]=4 17476 B11R1.28 CCCCNC1CCOCC1 7a_106832991798_100000686592 [1,0,0,1,0,0|1,0,1]=4 17477 B11R1.28 CCCCOC1CC=CCC1 34a_100000073881_100000210210 [1,0,0,1,0,0|2,0,0]=4 17478 B11R1.28 CCCCOC1CCOCC1 34a_100000744328_100000210210 [1,0,0,1,0,0|1,0,1]=4 17479 B11R1.28 CCCCOC1CCOCC1 7a_100000210227_100000686592 [1,0,0,1,0,0|1,0,1]=4 17480 B11R1.28 CCCCSC1CCOCC1 62a_100000210211_100011324220 [1,0,0,1,0,0|1,0,1]=4 17481 B11R1.28 CCCNCC1CC=CCC1 270004a_100020643023_100000189434 [1,0,0,1,0,0|2,0,0]=4 17482 B11R1.28 CCCNCC1CCCCC1 2230a_100000210473_100000210303 [1,0,0,1,0,0|2,0,0]=4 17483 B11R1.28 CCCNCC1CCCCC1 269862a_100020643023_100000211278 [1,0,0,1,0,0|2,0,0]=4 17484 B11R1.28 CCCNCC1CCCCC1 34a_100000210473_100000210303 [1,0,0,1,0,0|2,0,0]=4 17485 B11R1.28 CCCNCC1CCOCC1 2230a_100000746373_100000210303 [1,0,0,1,0,0|1,0,1]=4 17486 B11R1.28 CCCNCC1CCOCC1 269862a_100020643023_100000749017 [1,0,0,1,0,0|1,0,1]=4 17487 B11R1.28 CCCNCC1CCOCC1 34a_100000746373_100000210303 [1,0,0,1,0,0|1,0,1]=4 17488 B11R1.28 CCCOCC1CC=CCC1 34a_100000210713_100000210303 [1,0,0,1,0,0|2,0,0]=4 17489 B11R1.28 CCCOCC1CCCCC1 34a_100000210258_100000211423 [1,0,0,1,0,0|2,0,0]=4 17490 B11R1.28 CCCOCC1CCCCC1 34a_100000212181_100000210303 [1,0,0,1,0,0|2,0,0]=4 17491 B11R1.28 CCCOCC1CCCCC1 7a_100000212181_100000210303 [1,0,0,1,0,0|2,0,0]=4 17492 B11R1.28 CCCOCC1CCOCC1 34a_100000210258_100000754603 [1,0,0,1,0,0|1,0,1]=4 17493 B11R1.28 CCCOCC1CCOCC1 34a_100000749013_100000210303 [1,0,0,1,0,0|1,0,1]=4 17494 B11R1.28 CCCSCC1CCCCC1 62a_100000210303_100000211423 [1,0,0,1,0,0|2,0,0]=4 17495 B11R1.28 CCCSCC1CCCCC1 62a_100000211423_100000210303 [1,0,0,1,0,0|2,0,0]=4 17496 B11R1.28 CCCSCC1CCOCC1 62a_100000210303_100000749018 [1,0,0,1,0,0|1,0,1]=4 17497 B11R1.28 CCCSCC1CCOCC1 62a_100000754603_100000210303 [1,0,0,1,0,0|1,0,1]=4 17498 B11R1.28 CCNCCC1CCCCC1 2230a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 17499 B11R1.28 CCNCCC1CCCCC1 2230a_100015525214_100012355289 [1,0,0,1,0,0|1,0,1]=4 17500 B11R1.28 CCNCCC1CCCCC1 270004a_100015525214_100011713444 [1,0,0,1,0,0|1,0,1]=4 17501 B11R1.28 CCNCCC1CCCCC1 34a_100000738074_100000210202 [1,0,0,1,0,0|1,0,1]=4 17502 B11R1.28 CCNCCC1CCOCC1 2230a_100000755988_100000210202 [1,0,0,1,0,0|1,0,1]=4 17503 B11R1.28 CCNCCC1CCOCC1 2230a_100015525214_100011934994 [1,0,0,1,0,0|1,0,1]=4 17504 B11R1.28 CCNCCC1CCOCC1 34a_100000755988_100000210202 [1,0,0,1,0,0|1,0,1]=4 17505 B11R1.28 CCOCCC1CCCCC1 34a_100011217863_100000210202 [1,0,0,1,0,0|0,0,1]=3 17506 B11R1.28 CCOCCC1CCCCC1 34a_100121572206_100011209188 [1,0,0,1,0,0|0,0,1]=3 17507 B11R1.28 CCOCCC1CCCCC1 7a_100011217863_100000210202 [1,0,0,1,0,0|0,0,1]=3 17508 B11R1.28 CCOCCC1CCCCN1 34a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 17509 B11R1.28 CCOCCC1CCCNC1 34a_100000752241_100000210202 [1,0,0,1,0,0|1,0,1]=4 17510 B11R1.28 CCOCCC1CCNCC1 34a_100015190746_100000210202 [1,0,0,1,0,0|1,0,1]=4 17511 B11R1.28 CCOCCC1CCOCC1 34a_100011933979_100000210202 [1,0,0,1,0,0|1,0,1]=4 17512 B11R1.28 CCOCCC1CCOCC1 34a_100121572206_100011934994 [1,0,0,1,0,0|1,0,1]=4 17513 B11R1.28 CCOCCC1CCOCC1 7a_100011933979_100000210202 [1,0,0,1,0,0|1,0,1]=4 17514 B11R1.28 CCOCCN1CCCCC1 34a_100121572206_100000739454 [1,0,0,1,0,0|1,0,1]=4 17515 B11R1.28 CCOCOC1CCCCC1 34a_100121572206_100011935260 [1,0,0,1,0,0|1,0,1]=4 17516 B11R1.28 CCOCSC1CCCCC1 62a_100000210327_100000739092 [1,0,0,1,0,0|1,0,1]=4 17517 B11R1.28 CCOCSC1CCCCC1 62a_100000739092_100000210327 [1,0,0,1,0,0|1,0,1]=4 17518 B11R1.28 CCSCCC1CCCCC1 62a_100000210202_100012355289 [1,0,0,1,0,0|0,1,1]=4 17519 B11R1.28 CCSCCC1CCCCC1 62a_100012355289_100000210202 [1,0,0,1,0,0|0,1,1]=4 17520 B11R1.28 CCSCCC1CCOCC1 62a_100000210202_100011934994 [1,0,0,1,0,0|1,0,1]=4 17521 B11R1.28 CCSCCC1CCOCC1 62a_100011934994_100000210202 [1,0,0,1,0,0|1,0,1]=4 17522 B11R1.28 FCOCCC1CCCCC1 34a_100011217863_100015361967 [1,0,0,1,0,0|1,0,1]=4 17523 B11R1.28 FCOCCC1CCCCC1 7a_100011217863_100015361967 [1,0,0,1,0,0|1,0,1]=4 17524 B11R1.41 CCC1CCCCC1OCF 34a_100000210738_100015361967 [1,0,0,1,0,0|1,0,1]=4 17525 B11R1.41 CCC1CCCCC1OCF 7a_100000210738_100015361967 [1,0,0,1,0,0|1,0,1]=4 17526 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 17527 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [1,0,0,1,0,0|1,0,1]=4 17528 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 17529 B11R1.41 CCCN1CCCCC1CC 2230a_100000210034_100000210303 [1,0,0,1,0,0|2,0,0]=4 17530 B11R1.41 CCCN1CCCCC1CC 269982a_100000210034_100000210303 [1,0,0,1,0,0|2,0,0]=4 17531 B11R1.41 CCCN1CCCCC1CC 34a_100000210034_100000210303 [1,0,0,1,0,0|2,0,0]=4 17532 B11R1.41 CCNC1CCCCC1CC 269862a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 17533 B11R1.41 CCNC1CCCCC1CC 270004a_100015525214_100000757040 [1,0,0,1,0,0|1,0,1]=4 17534 B11R1.41 CCOC1CCCCC1CC 34a_100000210738_100000210202 [1,0,0,1,0,0|0,0,1]=3 17535 B11R1.41 CCOC1CCCCC1CC 7a_100000210738_100000210202 [1,0,0,1,0,0|0,0,1]=3 17536 B11R1.41 CCOC1CCCCC1CN 34a_100011216029_100000210202 [1,0,0,1,0,0|1,0,1]=4 17537 B11R1.41 CCOC1CCCCC1NC 270004a_106832991635_200000031474 [1,0,0,1,0,0|1,0,1]=4 17538 B11R1.41 CCO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000210202 [1,0,0,1,0,0|1,0,1]=4 17539 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000210202 [1,0,0,1,0,0|1,0,1]=4 17540 B11R1.41 CCO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000210202 [1,0,0,1,0,0|1,0,1]=4 17541 B11R1.46 CC/C=C\COCC1CC1C 34a_100000744939_100103147603 [1,0,0,1,0,0|2,0,0]=4 17542 B11R1.46 CC/C=C\COCC1CC1C 7a_100000744939_100103147603 [1,0,0,1,0,0|2,0,0]=4 17543 B11R1.46 CCOCCOCC1CC1C 34a_100000744939_100000210147 [1,0,0,1,0,0|1,0,1]=4 17544 B11R1.46 CCOCCOCC1CC1C 7a_100000744939_100011215890 [1,0,0,1,0,0|1,0,1]=4 17545 B11R1.47 CC/C=C\CCNC1CCC1 2230a_100000749019_100015370543 [1,0,0,1,0,0|2,0,0]=4 17546 B11R1.47 CC/C=C\CCNC1CCC1 34a_100000749019_100015370543 [1,0,0,1,0,0|2,0,0]=4 17547 B11R1.47 CC/C=C\CCOC1CCC1 34a_100000748187_100015370543 [1,0,0,1,0,0|2,0,0]=4 17548 B11R1.47 CC/C=C\CCOC1CCC1 34a_100016288707_100000749161 [1,0,0,1,0,0|2,0,0]=4 17549 B11R1.47 CC/C=C\CCSC1CCC1 62a_100015370543_100000749161 [1,0,0,1,0,0|2,0,0]=4 17550 B11R1.47 CC/C=C\CNCC1CCC1 2230a_100000738700_100103147603 [1,0,0,1,0,0|2,0,0]=4 17551 B11R1.47 CC/C=C\CNCC1CCC1 34a_100000738700_100103147603 [1,0,0,1,0,0|2,0,0]=4 17552 B11R1.47 CC/C=C\COCC1CCC1 34a_100000760304_100103147603 [1,0,0,1,0,0|2,0,0]=4 17553 B11R1.47 CC/C=C\COCC1CCC1 34a_100016268518_100000763275 [1,0,0,1,0,0|2,0,0]=4 17554 B11R1.47 CC/C=C\CSCC1CCC1 62a_100000763275_100103147603 [1,0,0,1,0,0|2,0,0]=4 17555 B11R1.47 CC/C=C\CSCC1CCC1 62a_100103147603_100000763275 [1,0,0,1,0,0|2,0,0]=4 17556 B11R1.47 CCCCCCCN1CCC1 269982a_100000754969_100000210681 [1,0,0,1,0,0|2,0,0]=4 17557 B11R1.47 CCCCCNCC1CCO1 2230a_100000209983_100000103362 [1,0,0,1,0,0|1,0,1]=4 17558 B11R1.47 CCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210326 [1,0,0,1,0,0|1,0,1]=4 17559 B11R1.47 CCCCCNC[C@@H]1CCO1 34a_100020831831_100000718602 [1,0,0,1,0,0|1,0,1]=4 17560 B11R1.47 CCCCCOCC1CCO1 34a_100000039022_100000718602 [1,0,0,1,0,0|1,0,1]=4 17561 B11R1.47 CCCCCOCC1CCO1 34a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 17562 B11R1.47 CCCCCOCC1CCO1 7a_100000210253_100000103362 [1,0,0,1,0,0|1,0,1]=4 17563 B11R1.47 CCCCCSCC1CCO1 62a_100000103362_100000210326 [1,0,0,1,0,0|1,0,1]=4 17564 B11R1.47 CCCCCSCC1CCO1 62a_100000210326_100000103362 [1,0,0,1,0,0|1,0,1]=4 17565 B11R1.47 CCOCCCNC1CCC1 2230a_100000749019_100012232248 [1,0,0,1,0,0|1,0,1]=4 17566 B11R1.47 CCOCCCNC1CCC1 270004a_100000210961_100000241760 [1,0,0,1,0,0|1,0,1]=4 17567 B11R1.47 CCOCCCNC1CCC1 34a_100000210961_100000749161 [1,0,0,1,0,0|1,0,1]=4 17568 B11R1.47 CCOCCCNC1CCC1 34a_100000749019_100012232248 [1,0,0,1,0,0|1,0,1]=4 17569 B11R1.47 CCOCCCOC1CCC1 34a_100000748187_100012232248 [1,0,0,1,0,0|1,0,1]=4 17570 B11R1.47 CCOCCCOC1CCC1 34a_100000757476_100000749161 [1,0,0,1,0,0|1,0,1]=4 17571 B11R1.47 CCOCCCSC1CCC1 62a_100012232248_100000749161 [1,0,0,1,0,0|1,0,1]=4 17572 B11R1.47 CCOCCNCC1CCC1 2230a_100000738700_100011215890 [1,0,0,1,0,0|1,0,1]=4 17573 B11R1.47 CCOCCNCC1CCC1 2230a_102516460346_100000763275 [1,0,0,1,0,0|1,0,1]=4 17574 B11R1.47 CCOCCNCC1CCC1 269862a_100011200944_100000753134 [1,0,0,1,0,0|1,0,1]=4 17575 B11R1.47 CCOCCNCC1CCC1 34a_100000738700_100000210147 [1,0,0,1,0,0|1,0,1]=4 17576 B11R1.47 CCOCCNCC1CCC1 34a_102516460346_100000763275 [1,0,0,1,0,0|1,0,1]=4 17577 B11R1.47 CCOCCOCC1CCC1 34a_100000210136_100000763275 [1,0,0,1,0,0|1,0,1]=4 17578 B11R1.47 CCOCCOCC1CCC1 34a_100000760304_100000210147 [1,0,0,1,0,0|1,0,1]=4 17579 B11R1.47 CCOCCOCC1CCC1 7a_100000210136_100000763275 [1,0,0,1,0,0|1,0,1]=4 17580 B11R1.47 CCOCCSCC1CCC1 62a_100000210147_100000763275 [1,0,0,1,0,0|1,0,1]=4 17581 B11R1.47 CCOCCSCC1CCC1 62a_100000763275_100011215890 [1,0,0,1,0,0|1,0,1]=4 17582 B11R1.99 CC/C=C/CCCOC1CC1 34a_100016287902_100000211595 [1,0,0,1,0,0|2,0,0]=4 17583 B11R1.99 CC/C=C\CCNCC1CC1 2230a_100000735609_100015370543 [1,0,0,1,0,0|2,0,0]=4 17584 B11R1.99 CC/C=C\CCNCC1CC1 34a_100000735609_100015370543 [1,0,0,1,0,0|2,0,0]=4 17585 B11R1.99 CC/C=C\CCOCC1CC1 34a_100000211283_100015370543 [1,0,0,1,0,0|2,0,0]=4 17586 B11R1.99 CC/C=C\CCOCC1CC1 34a_100016288707_100000742324 [1,0,0,1,0,0|2,0,0]=4 17587 B11R1.99 CC/C=C\CCOCC1CC1 7a_100016288707_100000742324 [1,0,0,1,0,0|2,0,0]=4 17588 B11R1.99 CC/C=C\CCSCC1CC1 62a_100000756562_100015370543 [1,0,0,1,0,0|2,0,0]=4 17589 B11R1.99 CC/C=C\CCSCC1CC1 62a_100015370543_100000742324 [1,0,0,1,0,0|2,0,0]=4 17590 B11R1.99 CC/C=C\CNCCC1CC1 34a_100000764129_100103147603 [1,0,0,1,0,0|2,0,0]=4 17591 B11R1.99 CC/C=C\COCCC1CC1 34a_100000754188_100103147603 [1,0,0,1,0,0|2,0,0]=4 17592 B11R1.99 CC/C=C\COCCC1CC1 34a_100016268518_100000694398 [1,0,0,1,0,0|2,0,0]=4 17593 B11R1.99 CC/C=C\COCCC1CC1 7a_100000754188_100103147603 [1,0,0,1,0,0|2,0,0]=4 17594 B11R1.99 CC/C=C\CSCCC1CC1 62a_100000764125_100103147603 [1,0,0,1,0,0|2,0,0]=4 17595 B11R1.99 CC/C=C\CSCCC1CC1 62a_100103147603_100000764125 [1,0,0,1,0,0|2,0,0]=4 17596 B11R1.99 CCCCCCCNC1CC1 34a_100000212008_100000210614 [1,0,0,1,0,0|2,0,0]=4 17597 B11R1.99 CCCCCCCOC1CC1 34a_100000210272_100000211595 [1,0,0,1,0,0|2,0,0]=4 17598 B11R1.99 CCCCCCCSC1CC1 62a_100000210614_100000211595 [1,0,0,1,0,0|2,0,0]=4 17599 B11R1.99 CCOCCCNCC1CC1 2230a_100000210961_100000742324 [1,0,0,1,0,0|1,0,1]=4 17600 B11R1.99 CCOCCCNCC1CC1 2230a_100000735609_100012232248 [1,0,0,1,0,0|1,0,1]=4 17601 B11R1.99 CCOCCCNCC1CC1 269862a_100000210961_100000741477 [1,0,0,1,0,0|1,0,1]=4 17602 B11R1.99 CCOCCCNCC1CC1 34a_100000210961_100000742324 [1,0,0,1,0,0|1,0,1]=4 17603 B11R1.99 CCOCCCNCC1CC1 34a_100000735609_100012232248 [1,0,0,1,0,0|1,0,1]=4 17604 B11R1.99 CCOCCCOCC1CC1 34a_100000211283_100012232248 [1,0,0,1,0,0|1,0,1]=4 17605 B11R1.99 CCOCCCOCC1CC1 34a_100000757476_100000742324 [1,0,0,1,0,0|1,0,1]=4 17606 B11R1.99 CCOCCCOCC1CC1 7a_100000757476_100000742324 [1,0,0,1,0,0|1,0,1]=4 17607 B11R1.99 CCOCCCSCC1CC1 62a_100000756562_100012232248 [1,0,0,1,0,0|1,0,1]=4 17608 B11R1.99 CCOCCCSCC1CC1 62a_100012232248_100000742324 [1,0,0,1,0,0|1,0,1]=4 17609 B11R1.99 CCOCCNCCC1CC1 2230a_102516460346_100000694398 [1,0,0,1,0,0|1,0,1]=4 17610 B11R1.99 CCOCCNCCC1CC1 34a_100000764129_100000210147 [1,0,0,1,0,0|1,0,1]=4 17611 B11R1.99 CCOCCNCCC1CC1 34a_102516460346_100000694398 [1,0,0,1,0,0|1,0,1]=4 17612 B11R1.99 CCOCCOCCC1CC1 34a_100000210136_100000694398 [1,0,0,1,0,0|1,0,1]=4 17613 B11R1.99 CCOCCOCCC1CC1 34a_100000754188_100000210147 [1,0,0,1,0,0|1,0,1]=4 17614 B11R1.99 CCOCCOCCC1CC1 7a_100000210136_100000764125 [1,0,0,1,0,0|1,0,1]=4 17615 B11R1.99 CCOCCOCCC1CC1 7a_100000754188_100011215890 [1,0,0,1,0,0|1,0,1]=4 17616 B11R1.99 CCOCCSCCC1CC1 62a_100000210147_100000764125 [1,0,0,1,0,0|1,0,1]=4 17617 B11R1.99 CCOCCSCCC1CC1 62a_100000764125_100011215890 [1,0,0,1,0,0|1,0,1]=4 17618 B11R1.109 CCCC1CCCC1NCC 269862a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 17619 B11R1.109 CCCC1CCCC1NCC 270004a_100015525214_100000723119 [1,0,0,1,0,0|1,0,1]=4 17620 B11R1.190 CC/C=C\CCN1CCC1C 269982a_100000755817_100015370543 [1,0,0,1,0,0|2,0,0]=4 17621 B11R1.190 CC/C=C\CCN1CCC1C 34a_100000755817_100015370543 [1,0,0,1,0,0|2,0,0]=4 17622 B11R1.190 CCOCCCN1CCC1C 269982a_100000755817_100012232248 [1,0,0,1,0,0|1,0,1]=4 17623 B11R1.190 CCOCCCN1CCC1C 34a_100000755817_100012232248 [1,0,0,1,0,0|1,0,1]=4 17624 B11R1.203 CCCCN1CCCOCC1 2230a_100000685342_100000210211 [1,0,0,1,0,0|1,0,1]=4 17625 B11R1.203 CCCCN1CCCOCC1 269982a_100000685342_100000210211 [1,0,0,1,0,0|1,0,1]=4 17626 B11R1.203 CCCCN1CCCOCC1 34a_100000685342_100000210210 [1,0,0,1,0,0|1,0,1]=4 17627 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [1,0,0,1,0,0|2,0,0]=4 17628 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [1,0,0,1,0,0|2,0,0]=4 17629 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [1,0,0,1,0,0|2,0,0]=4 17630 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [1,0,0,1,0,0|2,0,0]=4 17631 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [1,0,0,1,0,0|2,0,0]=4 17632 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [1,0,0,1,0,0|2,0,0]=4 17633 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [1,0,0,1,0,0|2,0,0]=4 17634 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [1,0,0,1,0,0|2,0,0]=4 17635 B11R1.203 CCNCC1CCCCCC1 2230a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 17636 B11R1.203 CCNCC1CCCCCC1 2230a_100015525214_200000696569 [1,0,0,1,0,0|1,0,1]=4 17637 B11R1.203 CCNCC1CCCCCC1 269862a_100015525214_200000763224 [1,0,0,1,0,0|1,0,1]=4 17638 B11R1.203 CCNCC1CCCCCC1 34a_100015204231_100000210202 [1,0,0,1,0,0|1,0,1]=4 17639 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [1,0,0,1,0,0|0,0,1]=3 17640 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [1,0,0,1,0,0|0,0,1]=3 17641 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [1,0,0,1,0,0|0,0,1]=3 17642 B11R1.203 CCOCN1CCCCCC1 269982a_100000185865_100000739092 [1,0,0,1,0,0|1,0,1]=4 17643 B11R1.203 CCSCC1CCCCCC1 62a_100000210202_200000696569 [1,0,0,1,0,0|0,1,1]=4 17644 B11R1.203 CCSCC1CCCCCC1 62a_200000696569_100000210202 [1,0,0,1,0,0|0,1,1]=4 17645 B11R1.203 FCOCC1CCCCCC1 34a_100000699130_100015361967 [1,0,0,1,0,0|1,0,1]=4 17646 B11R1.203 FCOCC1CCCCCC1 7a_100000699130_100015361967 [1,0,0,1,0,0|1,0,1]=4 17647 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 17648 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [1,0,0,1,0,0|1,0,1]=4 17649 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 17650 B11R1.1 C=C1CCC(CC1)COCC 34a_100000074039_100000210202 [1,0,0,1,0,0|2,0,0]=4 17651 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [1,0,0,1,0,0|2,0,0]=4 17652 B11R1.1 C=C1CCN(CC1)CCCC 2230a_100000752442_100000210211 [1,0,0,1,0,0|2,0,0]=4 17653 B11R1.1 C=C1CCN(CC1)CCCC 269982a_100000752442_100000210211 [1,0,0,1,0,0|2,0,0]=4 17654 B11R1.1 C=C1CCN(CC1)CCCC 34a_100000752442_100000210210 [1,0,0,1,0,0|2,0,0]=4 17655 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [1,0,0,1,0,0|2,0,0]=4 17656 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [1,0,0,1,0,0|2,0,0]=4 17657 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [1,0,0,1,0,0|2,0,0]=4 17658 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [1,0,0,1,0,0|2,0,0]=4 17659 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [1,0,0,1,0,0|2,0,0]=4 17660 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [1,0,0,1,0,0|2,0,0]=4 17661 B11R1.1 CCCCN1CCS(=O)CC1 2230a_100000752083_100000210211 [1,0,0,1,0,0|2,0,0]=4 17662 B11R1.1 CCCCN1CCS(=O)CC1 269982a_100000752083_100000210211 [1,0,0,1,0,0|2,0,0]=4 17663 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [1,0,0,1,0,0|2,0,0]=4 17664 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [1,0,0,1,0,0|2,0,0]=4 17665 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [1,0,0,1,0,0|1,0,0]=3 17666 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [1,0,0,1,0,0|1,0,0]=3 17667 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [1,0,0,1,0,0|2,0,0]=4 17668 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [1,0,0,1,0,0|1,0,0]=3 17669 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [1,0,0,1,0,0|2,0,0]=4 17670 B11R1.1 O=C1CCC(CC1)COCF 34a_100000062911_100015361967 [1,0,0,1,0,0|2,0,0]=4 17671 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [1,0,0,1,0,0|2,0,0]=4 17672 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [1,0,0,1,0,0|2,0,0]=4 17673 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [1,0,0,1,0,0|2,0,0]=4 17674 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [1,0,0,1,0,0|2,0,0]=4 17675 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [1,0,0,1,0,0|2,0,0]=4 17676 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [1,0,0,1,0,0|2,0,0]=4 17677 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [1,0,0,1,0,0|2,0,0]=4 17678 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 2230a_200010383782_200025704644 [1,0,0,1,0,0|2,0,0]=4 17679 B11R1.13 CN1C(=O)CCCC1CN[13CH3] 34a_200010383782_200025704644 [1,0,0,1,0,0|2,0,0]=4 17680 B11R1.13 CNCC1CCCC(=O)N1C 2230a_200010383782_200000210301 [1,0,0,1,0,0|2,0,0]=4 17681 B11R1.13 CNCC1CCCC(=O)N1C 34a_200010383782_200000210301 [1,0,0,1,0,0|2,0,0]=4 17682 B11R1.25 C#CC(=O)CCC1CCCC1 1458a_100000211873_100000760354 [1,0,0,1,0,0|0,0,2]=4 17683 B11R1.25 C=CC(=O)CCC1CCCC1 1458a_100000185746_100000760354 [1,0,0,1,0,0|0,0,2]=4 17684 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000210414_100000760354 [1,0,0,1,0,0|0,0,0]=2 17685 B11R1.25 CCC(=O)CCC1CCCC1 1458a_100000211120_100000210202 [1,0,0,1,0,0|0,0,0]=2 17686 B11R1.25 CCC(=O)CCC1CCCO1 1458a_100011247709_100000210202 [1,0,0,1,0,0|1,0,0]=3 17687 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000082924_100000210202 [1,0,0,1,0,0|2,0,0]=4 17688 B11R1.25 CCC(=O)CCC1OCCO1 1458a_100000210414_100000740749 [1,0,0,1,0,0|2,0,0]=4 17689 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000210414_100000004467 [1,0,0,1,0,0|1,0,0]=3 17690 B11R1.25 CCC(=O)CCN1CCCC1 1458a_100000738983_100000210202 [1,0,0,1,0,0|1,0,0]=3 17691 B11R1.25 CCC(=O)CCN1CCCO1 1458a_200015187630_100000210202 [1,0,0,1,0,0|2,0,0]=4 17692 B11R1.25 CCC(=O)COC1CCCC1 1458a_100000741352_100000210202 [1,0,0,1,0,0|1,0,0]=3 17693 B11R1.25 CCC(=O)COC1CCCC1 34a_100000725409_100000179811 [1,0,0,1,0,0|1,0,0]=3 17694 B11R1.25 CCC(=O)COC1CCCC1 7a_100000210269_100000747405 [1,0,0,1,0,0|1,0,0]=3 17695 B11R1.25 CCC(=O)COC1CCOC1 34a_100000725409_100000690089 [1,0,0,1,0,0|2,0,0]=4 17696 B11R1.25 CCC(=O)COC1CCSC1 7a_100011232664_100000747405 [1,0,0,1,0,0|2,0,0]=4 17697 B11R1.25 CCC(=O)CSC1CCCC1 62a_100000747405_100000179811 [1,0,0,1,0,0|1,0,0]=3 17698 B11R1.25 CCC(=O)CSC1CCCC1 62a_100011217020_100000747405 [1,0,0,1,0,0|1,0,0]=3 17699 B11R1.25 CCC(=O)CSC1CCOC1 62a_100000747405_100000690089 [1,0,0,1,0,0|2,0,0]=4 17700 B11R1.25 CCC(=O)NCC1CCCC1 11a_100000737975_100000210414 [1,0,0,1,0,0|1,0,0]=3 17701 B11R1.25 CCC(=O)NCC1CCCC1 1626a_100000737975_100000210414 [1,0,0,1,0,0|1,0,0]=3 17702 B11R1.25 CCC(=O)NCC1CCCC1 240690a_100000737975_100000210414 [1,0,0,1,0,0|1,0,0]=3 17703 B11R1.25 CCC(=O)NCC1CCCC1 527a_100000737975_100000210414 [1,0,0,1,0,0|1,0,0]=3 17704 B11R1.25 CCC(=O)NCC1CCOC1 11a_100000737293_100000210414 [1,0,0,1,0,0|2,0,0]=4 17705 B11R1.25 CCC(=O)NCC1CCOC1 1626a_100000737293_100000210414 [1,0,0,1,0,0|2,0,0]=4 17706 B11R1.25 CCC(=O)NCC1CCOC1 240690a_100000737293_100000210414 [1,0,0,1,0,0|2,0,0]=4 17707 B11R1.25 CCC(=O)NCC1CCOC1 527a_100000737293_100000210414 [1,0,0,1,0,0|2,0,0]=4 17708 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000210414 [1,0,0,1,0,0|2,0,0]=4 17709 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000210414 [1,0,0,1,0,0|2,0,0]=4 17710 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000210414 [1,0,0,1,0,0|2,0,0]=4 17711 B11R1.25 CCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000210414 [1,0,0,1,0,0|2,0,0]=4 17712 B11R1.25 CCC(=O)NNC1CCCC1 22a_100000737850_100000210414 [1,0,0,1,0,0|2,0,0]=4 17713 B11R1.25 CCN(C)CCC1CCCC1 2230a_100000225621_100000760354 [1,0,0,1,0,0|2,0,0]=4 17714 B11R1.25 CCN(C)CCC1CCCC1 269982a_100000225621_100000760354 [1,0,0,1,0,0|2,0,0]=4 17715 B11R1.25 CNC(=O)CCC1CCCC1 11a_106832991635_100000211120 [1,0,0,1,0,0|1,0,0]=3 17716 B11R1.25 CNC(=O)CCC1CCCC1 1626a_100102657272_100000211120 [1,0,0,1,0,0|1,0,0]=3 17717 B11R1.25 CNC(=O)CCC1CCCC1 240690a_100102657272_100000211120 [1,0,0,1,0,0|1,0,0]=3 17718 B11R1.25 CNC(=O)CCC1CCCC1 527a_100102657272_100000211120 [1,0,0,1,0,0|1,0,0]=3 17719 B11R1.25 CNC(=O)CCC1CCCO1 11a_106832991635_100011247709 [1,0,0,1,0,0|2,0,0]=4 17720 B11R1.25 CNC(=O)CCC1CCCO1 1626a_100102657272_100011247709 [1,0,0,1,0,0|2,0,0]=4 17721 B11R1.25 CNC(=O)CCC1CCCO1 240690a_100102657272_100011247709 [1,0,0,1,0,0|2,0,0]=4 17722 B11R1.25 CNC(=O)CCC1CCCO1 527a_100102657272_100011247709 [1,0,0,1,0,0|2,0,0]=4 17723 B11R1.25 CNC(=O)CCN1CCCC1 2230a_100000188435_100000737683 [1,0,0,1,0,0|2,0,0]=4 17724 B11R1.25 CNC(=O)CCN1CCCC1 240690a_100102657272_100000738983 [1,0,0,1,0,0|2,0,0]=4 17725 B11R1.25 CNC(=O)CCN1CCCC1 269982a_100000188435_100000737683 [1,0,0,1,0,0|2,0,0]=4 17726 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000211070_100000183359 [1,0,0,1,0,0|2,0,0]=4 17727 B11R1.25 CNC(=O)CNC1CCCC1 2230a_100000693194_100000179811 [1,0,0,1,0,0|2,0,0]=4 17728 B11R1.25 CNC(=O)CNC1CCCC1 270004a_100000693194_100000210133 [1,0,0,1,0,0|2,0,0]=4 17729 B11R1.25 CNC(=O)CNC1CCCC1 34a_100000211070_100000183359 [1,0,0,1,0,0|2,0,0]=4 17730 B11R1.25 CNC(=O)COC1CCCC1 11a_106832991635_100000741352 [1,0,0,1,0,0|2,0,0]=4 17731 B11R1.25 CNC(=O)COC1CCCC1 1626a_100102657272_100000741352 [1,0,0,1,0,0|2,0,0]=4 17732 B11R1.25 CNC(=O)COC1CCCC1 240690a_100102657272_100000741352 [1,0,0,1,0,0|2,0,0]=4 17733 B11R1.25 CNC(=O)COC1CCCC1 34a_100000210269_100000183359 [1,0,0,1,0,0|2,0,0]=4 17734 B11R1.25 CNC(=O)COC1CCCC1 34a_100000750040_100000179811 [1,0,0,1,0,0|2,0,0]=4 17735 B11R1.25 CNC(=O)COC1CCCC1 527a_100102657272_100000741352 [1,0,0,1,0,0|2,0,0]=4 17736 B11R1.25 CNC(=O)COC1CCCC1 7a_100000210269_100000183359 [1,0,0,1,0,0|2,0,0]=4 17737 B11R1.25 CNC(=O)CSC1CCCC1 62a_100000183359_100000179811 [1,0,0,1,0,0|2,0,0]=4 17738 B11R1.25 CNC(=O)CSC1CCCC1 62a_100011217020_100000183359 [1,0,0,1,0,0|2,0,0]=4 17739 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100000737975_106832991635 [1,0,0,1,0,0|2,0,0]=4 17740 B11R1.25 CNC(=O)NCC1CCCC1 2708a_100102657272_100000737975 [1,0,0,1,0,0|2,0,0]=4 17741 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100000737975_100102657272 [1,0,0,1,0,0|2,0,0]=4 17742 B11R1.25 CNC(=O)NCC1CCCC1 273464a_100102657272_100000737975 [1,0,0,1,0,0|2,0,0]=4 17743 B11R1.25 CNC(=O)NCC1CCCC1 512a_100000737975_100102657272 [1,0,0,1,0,0|2,0,0]=4 17744 B11R1.25 CNC(=O)NCC1CCCC1 512a_106832991638_100000737975 [1,0,0,1,0,0|2,0,0]=4 17745 B11R1.25 COC(=O)CCN1CCCC1 2230a_100000188435_100000204255 [1,0,0,1,0,0|1,0,0]=3 17746 B11R1.25 COC(=O)CCN1CCCC1 269982a_100000188435_100000204255 [1,0,0,1,0,0|1,0,0]=3 17747 B11R1.25 COC(=O)CCN1CCSC1 2230a_100011215254_100000204255 [1,0,0,1,0,0|2,0,0]=4 17748 B11R1.25 COC(=O)CCN1CCSC1 269982a_100011215254_100000204255 [1,0,0,1,0,0|2,0,0]=4 17749 B11R1.25 COC(=O)CNC1CCCC1 2230a_100000211070_100000747449 [1,0,0,1,0,0|1,0,0]=3 17750 B11R1.25 COC(=O)CNC1CCCC1 34a_100000211070_100000747449 [1,0,0,1,0,0|1,0,0]=3 17751 B11R1.25 COC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747449 [1,0,0,1,0,0|2,0,0]=4 17752 B11R1.25 COC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747449 [1,0,0,1,0,0|2,0,0]=4 17753 B11R1.25 COC(=O)CN[C@H]1CCOC1 34a_100015188467_100000747449 [1,0,0,1,0,0|2,0,0]=4 17754 B11R1.25 COC(=O)COC1CCCC1 34a_100000210269_100000747449 [1,0,0,1,0,0|1,0,0]=3 17755 B11R1.25 COC(=O)COC1CCCC1 7a_100000210269_100000747449 [1,0,0,1,0,0|1,0,0]=3 17756 B11R1.25 COC(=O)COC1CCCO1 34a_100000085407_100000747449 [1,0,0,1,0,0|2,0,0]=4 17757 B11R1.25 COC(=O)COC1CCSC1 7a_100011232664_100000747449 [1,0,0,1,0,0|2,0,0]=4 17758 B11R1.25 COC(=O)CO[C@H]1CCOC1 34a_100000717292_100000747449 [1,0,0,1,0,0|2,0,0]=4 17759 B11R1.25 COC(=O)CSC1CCCC1 62a_100000747449_100000179811 [1,0,0,1,0,0|1,0,0]=3 17760 B11R1.25 COC(=O)CSC1CCCC1 62a_100011217020_100000747449 [1,0,0,1,0,0|1,0,0]=3 17761 B11R1.25 COC(=O)CSC1CCOC1 62a_100000747449_100000690089 [1,0,0,1,0,0|2,0,0]=4 17762 B11R1.25 O=C(CF)CCC1CCCC1 1458a_100000211120_100015361967 [1,0,0,1,0,0|1,0,0]=3 17763 B11R1.25 O=C(CF)CCC1CCCO1 1458a_100011247709_100015361967 [1,0,0,1,0,0|2,0,0]=4 17764 B11R1.25 O=C(CF)CCN1CCCC1 1458a_100000738983_100015361967 [1,0,0,1,0,0|2,0,0]=4 17765 B11R1.25 O=C(CF)COC1CCCC1 1458a_100000741352_100015361967 [1,0,0,1,0,0|2,0,0]=4 17766 B11R1.25 O=C(CO)CCC1CCCC1 1458a_100000210174_100000760354 [1,0,0,1,0,0|1,0,0]=3 17767 B11R1.25 O=C(CO)CCN1CCCC1 1458a_100000210174_100000004467 [1,0,0,1,0,0|2,0,0]=4 17768 B11R1.25 O=C(CO)NCC1CCCC1 240690a_100000737975_100000210174 [1,0,0,1,0,0|2,0,0]=4 17769 B11R1.25 O=C(CO)NCC1CCCC1 527a_100000737975_100000210174 [1,0,0,1,0,0|2,0,0]=4 17770 B11R1.27 CCCCCN1CNC(=O)C1 2230a_200000708111_100000210326 [1,0,0,1,0,0|2,0,0]=4 17771 B11R1.27 CCCCNC1CNC(=O)C1 2230a_100000697751_100000210211 [1,0,0,1,0,0|2,0,0]=4 17772 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [1,0,0,1,0,0|1,0,0]=3 17773 B11R1.27 CCCCOC1CNC(=O)C1 34a_100000690082_100000210210 [1,0,0,1,0,0|2,0,0]=4 17774 B11R1.27 CCCCOC1COC(=O)O1 34a_100000210227_100000032252 [1,0,0,1,0,0|2,0,0]=4 17775 B11R1.27 CCCCSC1COC(=O)O1 62a_100000210211_100000032252 [1,0,0,1,0,0|2,0,0]=4 17776 B11R1.27 CCCNCC1CNC(=O)C1 2230a_100016993742_100000210303 [1,0,0,1,0,0|2,0,0]=4 17777 B11R1.27 CCCNCC1CNC(=O)C1 34a_100016993742_100000210303 [1,0,0,1,0,0|2,0,0]=4 17778 B11R1.27 CCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 17779 B11R1.27 CCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210303 [1,0,0,1,0,0|2,0,0]=4 17780 B11R1.27 CCCOCC1CCC(=O)N1 34a_100000737831_100000210303 [1,0,0,1,0,0|2,0,0]=4 17781 B11R1.27 CCCOCC1CNC(=O)C1 34a_100016041077_100000210303 [1,0,0,1,0,0|2,0,0]=4 17782 B11R1.27 CCCOCC1COC(=O)O1 34a_100000210258_100000073702 [1,0,0,1,0,0|2,0,0]=4 17783 B11R1.27 CCCOC[C@H]1COC(=O)N1 34a_100000210258_100015307671 [1,0,0,1,0,0|2,0,0]=4 17784 B11R1.27 CCCSCC1COC(=O)O1 62a_100000073702_100000210303 [1,0,0,1,0,0|2,0,0]=4 17785 B11R1.27 CCCSCC1COC(=O)O1 62a_100000210303_100000073702 [1,0,0,1,0,0|2,0,0]=4 17786 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100000210303_100015189358 [1,0,0,1,0,0|2,0,0]=4 17787 B11R1.27 CCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210303 [1,0,0,1,0,0|2,0,0]=4 17788 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100000210303_100015307671 [1,0,0,1,0,0|2,0,0]=4 17789 B11R1.27 CCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210303 [1,0,0,1,0,0|2,0,0]=4 17790 B11R1.27 COCCOC1CCC(=O)C1 34a_100012614533_100011201679 [1,0,0,1,0,0|2,0,0]=4 17791 B11R1.27 CSCCOC1CCC(=O)C1 34a_100012614533_100000212216 [1,0,0,1,0,0|2,0,0]=4 17792 B11R1.27 O=C1CCC(C1)OCCCF 34a_100012614533_100011934791 [1,0,0,1,0,0|2,0,0]=4 17793 B11R1.27 O=C1CCC(C1)OCCCO 34a_100012614533_100000230001 [1,0,0,1,0,0|2,0,0]=4 17794 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [1,0,0,1,0,0|0,0,2]=4 17795 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [1,0,0,1,0,0|0,0,2]=4 17796 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [1,0,0,1,0,0|0,0,2]=4 17797 B11R1.40 CCC(=O)CC1=CCCCC1 1458a_100000039269_100000210202 [1,0,0,1,0,0|0,0,2]=4 17798 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [1,0,0,1,0,0|0,0,0]=2 17799 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [1,0,0,1,0,0|0,0,0]=2 17800 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [1,0,0,1,0,0|1,0,0]=3 17801 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [1,0,0,1,0,0|1,0,0]=3 17802 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [1,0,0,1,0,0|1,0,0]=3 17803 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [1,0,0,1,0,0|1,0,0]=3 17804 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [1,0,0,1,0,0|1,0,0]=3 17805 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [1,0,0,1,0,0|1,0,0]=3 17806 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [1,0,0,1,0,0|1,0,0]=3 17807 B11R1.40 CCC(=O)CN1CCCOC1 269982a_100000131196_100000747405 [1,0,0,1,0,0|2,0,0]=4 17808 B11R1.40 CCC(=O)CN1CCOCC1 1458a_100000740321_100000210202 [1,0,0,1,0,0|2,0,0]=4 17809 B11R1.40 CCC(=O)CN1CCOCC1 269982a_100015191051_100000747405 [1,0,0,1,0,0|2,0,0]=4 17810 B11R1.40 CCC(=O)CN1CCSCC1 269982a_100000737611_100000747405 [1,0,0,1,0,0|2,0,0]=4 17811 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [1,0,0,1,0,0|1,0,0]=3 17812 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [1,0,0,1,0,0|1,0,0]=3 17813 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [1,0,0,1,0,0|1,0,0]=3 17814 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [1,0,0,1,0,0|1,0,0]=3 17815 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [1,0,0,1,0,0|2,0,0]=4 17816 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [1,0,0,1,0,0|2,0,0]=4 17817 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [1,0,0,1,0,0|2,0,0]=4 17818 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [1,0,0,1,0,0|2,0,0]=4 17819 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [1,0,0,1,0,0|2,0,0]=4 17820 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [1,0,0,1,0,0|2,0,0]=4 17821 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [1,0,0,1,0,0|2,0,0]=4 17822 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [1,0,0,1,0,0|2,0,0]=4 17823 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [1,0,0,1,0,0|2,0,0]=4 17824 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [1,0,0,1,0,0|2,0,0]=4 17825 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [1,0,0,1,0,0|2,0,0]=4 17826 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [1,0,0,1,0,0|2,0,0]=4 17827 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000225621_100000211423 [1,0,0,1,0,0|2,0,0]=4 17828 B11R1.40 CCN(C)CC1CCCCC1 2230a_100000736448_100000210202 [1,0,0,1,0,0|2,0,0]=4 17829 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000225621_100000211423 [1,0,0,1,0,0|2,0,0]=4 17830 B11R1.40 CCN(C)CC1CCCCC1 269982a_100000736448_100000204670 [1,0,0,1,0,0|2,0,0]=4 17831 B11R1.40 CCN(C)CC1CCCCC1 34a_100000736448_100000210202 [1,0,0,1,0,0|2,0,0]=4 17832 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [1,0,0,1,0,0|1,0,0]=3 17833 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [1,0,0,1,0,0|1,0,0]=3 17834 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [1,0,0,1,0,0|1,0,0]=3 17835 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [1,0,0,1,0,0|1,0,0]=3 17836 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [1,0,0,1,0,0|2,0,0]=4 17837 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [1,0,0,1,0,0|2,0,0]=4 17838 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [1,0,0,1,0,0|2,0,0]=4 17839 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [1,0,0,1,0,0|2,0,0]=4 17840 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [1,0,0,1,0,0|2,0,0]=4 17841 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [1,0,0,1,0,0|2,0,0]=4 17842 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [1,0,0,1,0,0|2,0,0]=4 17843 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [1,0,0,1,0,0|2,0,0]=4 17844 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [1,0,0,1,0,0|2,0,0]=4 17845 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [1,0,0,1,0,0|2,0,0]=4 17846 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [1,0,0,1,0,0|2,0,0]=4 17847 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [1,0,0,1,0,0|2,0,0]=4 17848 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [1,0,0,1,0,0|2,0,0]=4 17849 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [1,0,0,1,0,0|2,0,0]=4 17850 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [1,0,0,1,0,0|2,0,0]=4 17851 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [1,0,0,1,0,0|2,0,0]=4 17852 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [1,0,0,1,0,0|2,0,0]=4 17853 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [1,0,0,1,0,0|2,0,0]=4 17854 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [1,0,0,1,0,0|2,0,0]=4 17855 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [1,0,0,1,0,0|2,0,0]=4 17856 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [1,0,0,1,0,0|2,0,0]=4 17857 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [1,0,0,1,0,0|2,0,0]=4 17858 B11R1.40 COC(=O)CN1CCOCC1 2230a_100015191051_100000747449 [1,0,0,1,0,0|2,0,0]=4 17859 B11R1.40 COC(=O)CN1CCOCC1 269982a_100015191051_100000747449 [1,0,0,1,0,0|2,0,0]=4 17860 B11R1.40 COC(=O)CN1CCOCC1 34a_100015191051_100000747449 [1,0,0,1,0,0|2,0,0]=4 17861 B11R1.40 COC(=O)CN1CCSCC1 2230a_100000737611_100000747449 [1,0,0,1,0,0|2,0,0]=4 17862 B11R1.40 COC(=O)CN1CCSCC1 269982a_100000737611_100000747449 [1,0,0,1,0,0|2,0,0]=4 17863 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [1,0,0,1,0,0|1,0,0]=3 17864 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [1,0,0,1,0,0|2,0,0]=4 17865 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [1,0,0,1,0,0|2,0,0]=4 17866 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [1,0,0,1,0,0|2,0,0]=4 17867 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [1,0,0,1,0,0|2,0,0]=4 17868 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [1,0,0,1,0,0|1,0,0]=3 17869 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [1,0,0,1,0,0|2,0,0]=4 17870 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [1,0,0,1,0,0|2,0,0]=4 17871 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [1,0,0,1,0,0|2,0,0]=4 17872 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [1,0,0,1,0,0|2,0,0]=4 17873 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [1,0,0,1,0,0|2,0,0]=4 17874 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [1,0,0,1,0,0|1,0,0]=3 17875 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [1,0,0,1,0,0|1,0,0]=3 17876 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [1,0,0,1,0,0|1,0,0]=3 17877 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [1,0,0,1,0,0|1,0,0]=3 17878 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [1,0,0,1,0,0|1,0,0]=3 17879 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [1,0,0,1,0,0|2,0,0]=4 17880 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [1,0,0,1,0,0|2,0,0]=4 17881 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [1,0,0,1,0,0|2,0,0]=4 17882 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [1,0,0,1,0,0|2,0,0]=4 17883 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [1,0,0,1,0,0|2,0,0]=4 17884 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [1,0,0,1,0,0|2,0,0]=4 17885 B11R1.59 CCN1CCCC1C(=O)CF 1458a_106256033941_100015361967 [1,0,0,1,0,0|2,0,0]=4 17886 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [1,0,0,1,0,0|2,0,0]=4 17887 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [1,0,0,1,0,0|2,0,0]=4 17888 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [1,0,0,1,0,0|2,0,0]=4 17889 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [1,0,0,1,0,0|2,0,0]=4 17890 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [1,0,0,1,0,0|2,0,0]=4 17891 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [1,0,0,1,0,0|1,0,0]=3 17892 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [1,0,0,1,0,0|1,0,0]=3 17893 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [1,0,0,1,0,0|2,0,0]=4 17894 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [1,0,0,1,0,0|2,0,0]=4 17895 B11R1.59 CCN1CSCC1C(=O)OC 269982a_200000724679_100000204670 [1,0,0,1,0,0|2,0,0]=4 17896 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [1,0,0,1,0,0|1,0,0]=3 17897 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [1,0,0,1,0,0|1,0,0]=3 17898 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [1,0,0,1,0,0|1,0,0]=3 17899 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [1,0,0,1,0,0|1,0,0]=3 17900 B11R1.59 COC(=O)[C@@H]1CCCN1CF 269982a_100000752040_100015361967 [1,0,0,1,0,0|2,0,0]=4 17901 B11R1.115 CCC(=O)N1CCC1COC 11a_100015195929_100000210414 [1,0,0,1,0,0|2,0,0]=4 17902 B11R1.115 CCC(=O)N1CCC1COC 1626a_100015195929_100000210414 [1,0,0,1,0,0|2,0,0]=4 17903 B11R1.115 CCC(=O)N1CCC1COC 240690a_100015195929_100000210414 [1,0,0,1,0,0|2,0,0]=4 17904 B11R1.115 CCC(=O)N1CCC1COC 527a_100015195929_100000210414 [1,0,0,1,0,0|2,0,0]=4 17905 B11R1.115 CCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210303 [1,0,0,1,0,0|1,0,0]=3 17906 B11R1.115 CCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210303 [1,0,0,1,0,0|1,0,0]=3 17907 B11R1.115 COC(=O)[C@@H]1CCN1CCF 2230a_102516456887_100011217306 [1,0,0,1,0,0|2,0,0]=4 17908 B11R1.115 COC(=O)[C@@H]1CCN1CCF 269982a_102516456887_100011217306 [1,0,0,1,0,0|2,0,0]=4 17909 B11R1.115 COC(=O)[C@@H]1CCN1CCO 2230a_102516456887_100000211926 [1,0,0,1,0,0|2,0,0]=4 17910 B11R1.115 COC(=O)[C@@H]1CCN1CCO 269982a_102516456887_100000211926 [1,0,0,1,0,0|2,0,0]=4 17911 B11R1.115 COC(=O)[C@@H]1CCN1CSC 2230a_102516456887_100011218213 [1,0,0,1,0,0|2,0,0]=4 17912 B11R1.115 COC(=O)[C@@H]1CCN1CSC 269982a_102516456887_100011218213 [1,0,0,1,0,0|2,0,0]=4 17913 B11R1.115 COCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000766300 [1,0,0,1,0,0|2,0,0]=4 17914 B11R1.115 COCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000766300 [1,0,0,1,0,0|2,0,0]=4 17915 B11R1.218 CCCCN1CC1C(=O)OC 2230a_200009830135_100000210211 [1,0,0,1,0,0|1,0,0]=3 17916 B11R1.218 COC(=O)C1CN1CCCF 2230a_200009830135_100011934791 [1,0,0,1,0,0|2,0,0]=4 17917 B11R1.218 COC(=O)C1CN1CCCO 2230a_200009830135_100000230001 [1,0,0,1,0,0|2,0,0]=4 17918 B11R1.218 COC(=O)C1CN1CCSC 2230a_200009830135_100000751147 [1,0,0,1,0,0|2,0,0]=4 17919 B11R1.218 COCCN1CC1C(=O)OC 2230a_200009830135_100011201679 [1,0,0,1,0,0|2,0,0]=4 17920 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [1,0,0,1,0,0|1,0,0]=3 17921 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [1,0,0,1,0,0|2,0,0]=4 17922 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [1,0,0,1,0,0|2,0,0]=4 17923 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [1,0,0,1,0,0|1,0,1]=4 17924 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [1,0,0,1,0,0|0,0,0]=2 17925 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [1,0,0,1,0,0|1,0,0]=3 17926 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [1,0,0,1,0,0|1,0,0]=3 17927 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [1,0,0,1,0,0|1,0,0]=3 17928 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [1,0,0,1,0,0|1,0,0]=3 17929 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [1,0,0,1,0,0|1,0,0]=3 17930 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000210414 [1,0,0,1,0,0|2,0,0]=4 17931 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000210414 [1,0,0,1,0,0|2,0,0]=4 17932 B11R1.222 CCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000210414 [1,0,0,1,0,0|2,0,0]=4 17933 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [1,0,0,1,0,0|1,0,0]=3 17934 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [1,0,0,1,0,0|2,0,0]=4 17935 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [1,0,0,1,0,0|1,0,0]=3 17936 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 17937 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 17938 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [1,0,0,1,0,0|1,0,0]=3 17939 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 17940 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 17941 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [1,0,0,1,0,0|2,0,0]=4 17942 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 17943 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 17944 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [1,0,0,1,0,0|2,0,0]=4 17945 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [1,0,0,1,0,0|2,0,0]=4 17946 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [1,0,0,1,0,0|2,0,0]=4 17947 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [1,0,0,1,0,0|2,0,0]=4 17948 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 17949 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 17950 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [1,0,0,1,0,0|2,0,0]=4 17951 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 17952 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 17953 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [1,0,0,1,0,0|1,0,0]=3 17954 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 17955 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 17956 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [1,0,0,1,0,0|1,0,0]=3 17957 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [1,0,0,1,0,0|2,0,0]=4 17958 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [1,0,0,1,0,0|2,0,0]=4 17959 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [1,0,0,1,0,0|2,0,0]=4 17960 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [1,0,0,1,0,0|2,0,0]=4 17961 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [1,0,0,1,0,0|2,0,0]=4 17962 B11R1.223 CCC(=O)CCC1CCC1=O 1458a_100000210414_200016118888 [1,0,0,1,0,0|1,0,1]=4 17963 B11R1.223 CNC(=O)CCN1CCC1C 269982a_100000755817_100000737683 [1,0,0,1,0,0|2,0,0]=4 17964 B11R1.223 CNC(=O)CCN1CCC1C 34a_100000755817_100012179268 [1,0,0,1,0,0|2,0,0]=4 17965 B11R1.223 COC(=O)CCN1CCC1C 269982a_100000755817_100000204255 [1,0,0,1,0,0|1,0,0]=3 17966 B11R1.223 COC(=O)CCN1CCC1C 34a_100000755817_100000742370 [1,0,0,1,0,0|1,0,0]=3 17967 B11R1.228 CCC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747405 [1,0,0,1,0,0|1,0,0]=3 17968 B11R1.228 CCC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747405 [1,0,0,1,0,0|1,0,0]=3 17969 B11R1.228 CCC(=O)CN1CCSC1C 269982a_200011216479_100000747405 [1,0,0,1,0,0|2,0,0]=4 17970 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000210414 [1,0,0,1,0,0|2,0,0]=4 17971 B11R1.228 CCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000210414 [1,0,0,1,0,0|2,0,0]=4 17972 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183359 [1,0,0,1,0,0|2,0,0]=4 17973 B11R1.228 CNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183359 [1,0,0,1,0,0|2,0,0]=4 17974 B11R1.228 CNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183359 [1,0,0,1,0,0|2,0,0]=4 17975 B11R1.228 CNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183359 [1,0,0,1,0,0|2,0,0]=4 17976 B11R1.228 CNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183359 [1,0,0,1,0,0|2,0,0]=4 17977 B11R1.228 COC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000747449 [1,0,0,1,0,0|1,0,0]=3 17978 B11R1.228 COC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000747449 [1,0,0,1,0,0|1,0,0]=3 17979 B11R1.228 COC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000747449 [1,0,0,1,0,0|1,0,0]=3 17980 B11R1.228 COC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000747449 [1,0,0,1,0,0|1,0,0]=3 17981 B11R1.228 COC(=O)CN1CCC[C@H]1C 34a_100015189458_100000747449 [1,0,0,1,0,0|1,0,0]=3 17982 B11R1.228 COC(=O)CN1CCSC1C 2230a_200011216479_100000747449 [1,0,0,1,0,0|2,0,0]=4 17983 B11R1.228 COC(=O)CN1CCSC1C 269982a_200011216479_100000747449 [1,0,0,1,0,0|2,0,0]=4 17984 B11R1.228 COC(=O)CN1CCSC1C 34a_200011216479_100000747449 [1,0,0,1,0,0|2,0,0]=4 17985 B11R1.228 COC(=O)C[C@H]1CCCN1C 2230a_100025726698_200000210301 [1,0,0,1,0,0|1,0,0]=3 17986 B11R1.228 COC(=O)C[C@H]1CCCN1C 269982a_100025726698_200000210301 [1,0,0,1,0,0|1,0,0]=3 17987 B11R1.228 COC(=O)C[C@H]1CCCN1C 34a_100025726698_200000210301 [1,0,0,1,0,0|1,0,0]=3 17988 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 2230a_100025726698_200025704644 [1,0,0,1,0,0|1,0,0]=3 17989 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 269982a_100025726698_200025704644 [1,0,0,1,0,0|1,0,0]=3 17990 B11R1.228 COC(=O)C[C@H]1CCCN1[13CH3] 34a_100025726698_200025704644 [1,0,0,1,0,0|1,0,0]=3 17991 B11R1.235 CCC(=O)COCC1CC1C 7a_100000744939_100000747405 [1,0,0,1,0,0|1,0,0]=3 17992 B11R1.235 CNC(=O)COCC1CC1C 34a_100000744939_100000183359 [1,0,0,1,0,0|2,0,0]=4 17993 B11R1.235 CNC(=O)COCC1CC1C 7a_100000744939_100000183359 [1,0,0,1,0,0|2,0,0]=4 17994 B11R1.235 COC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204255 [1,0,0,1,0,0|2,0,0]=4 17995 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204255 [1,0,0,1,0,0|2,0,0]=4 17996 B11R1.235 COC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000742370 [1,0,0,1,0,0|2,0,0]=4 17997 B11R1.235 COC(=O)COCC1CC1C 34a_100000744939_100000747449 [1,0,0,1,0,0|1,0,0]=3 17998 B11R1.235 COC(=O)COCC1CC1C 7a_100000744939_100000747449 [1,0,0,1,0,0|1,0,0]=3 17999 B11R1.236 CCC(=O)COCC1CCC1 34a_100000725409_100000763275 [1,0,0,1,0,0|1,0,0]=3 18000 B11R1.236 CCC(=O)COCC1CCO1 34a_100000725409_100000103362 [1,0,0,1,0,0|2,0,0]=4 18001 B11R1.236 CCC(=O)COCC1COC1 34a_100000725409_100010264016 [1,0,0,1,0,0|2,0,0]=4 18002 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000747405_100000763275 [1,0,0,1,0,0|1,0,0]=3 18003 B11R1.236 CCC(=O)CSCC1CCC1 62a_100000763275_100000747405 [1,0,0,1,0,0|1,0,0]=3 18004 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000103362_100000747405 [1,0,0,1,0,0|2,0,0]=4 18005 B11R1.236 CCC(=O)CSCC1CCO1 62a_100000747405_100000103362 [1,0,0,1,0,0|2,0,0]=4 18006 B11R1.236 CCC(=O)CSCC1COC1 62a_100000747405_100010264016 [1,0,0,1,0,0|2,0,0]=4 18007 B11R1.236 CCC(=O)CSCC1COC1 62a_100010264016_100000747405 [1,0,0,1,0,0|2,0,0]=4 18008 B11R1.236 CCC(=O)NCCN1CCC1 240690a_100000691440_100000210414 [1,0,0,1,0,0|2,0,0]=4 18009 B11R1.236 CCC(=O)NNCC1CCC1 22a_200020586977_100000210414 [1,0,0,1,0,0|2,0,0]=4 18010 B11R1.236 CNC(=O)CCCN1CCC1 269982a_100000754969_100000741757 [1,0,0,1,0,0|2,0,0]=4 18011 B11R1.236 CNC(=O)CCNC1CCC1 2230a_100000749019_100000737683 [1,0,0,1,0,0|2,0,0]=4 18012 B11R1.236 CNC(=O)CCNC1CCC1 270004a_100000738227_100000241760 [1,0,0,1,0,0|2,0,0]=4 18013 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000738227_100000749161 [1,0,0,1,0,0|2,0,0]=4 18014 B11R1.236 CNC(=O)CCNC1CCC1 34a_100000749019_100012179268 [1,0,0,1,0,0|2,0,0]=4 18015 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000748187_100012179268 [1,0,0,1,0,0|2,0,0]=4 18016 B11R1.236 CNC(=O)CCOC1CCC1 34a_100000754576_100000749161 [1,0,0,1,0,0|2,0,0]=4 18017 B11R1.236 CNC(=O)CCSC1CCC1 62a_100000737683_100000749161 [1,0,0,1,0,0|2,0,0]=4 18018 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000693194_100000763275 [1,0,0,1,0,0|2,0,0]=4 18019 B11R1.236 CNC(=O)CNCC1CCC1 2230a_100000738700_100000183359 [1,0,0,1,0,0|2,0,0]=4 18020 B11R1.236 CNC(=O)CNCC1CCC1 269862a_100000693194_100000753134 [1,0,0,1,0,0|2,0,0]=4 18021 B11R1.236 CNC(=O)CNCC1CCC1 34a_100000738700_100000183359 [1,0,0,1,0,0|2,0,0]=4 18022 B11R1.236 CNC(=O)COCC1CCC1 34a_100000750040_100000763275 [1,0,0,1,0,0|2,0,0]=4 18023 B11R1.236 CNC(=O)COCC1CCC1 34a_100000760304_100000183359 [1,0,0,1,0,0|2,0,0]=4 18024 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000183359_100000763275 [1,0,0,1,0,0|2,0,0]=4 18025 B11R1.236 CNC(=O)CSCC1CCC1 62a_100000763275_100000183359 [1,0,0,1,0,0|2,0,0]=4 18026 B11R1.236 COC(=O)CCCN1CCC1 269982a_100000754969_100011218270 [1,0,0,1,0,0|1,0,0]=3 18027 B11R1.236 COC(=O)CCNC1CCC1 2230a_100000749019_100000204255 [1,0,0,1,0,0|1,0,0]=3 18028 B11R1.236 COC(=O)CCNC1CCC1 34a_100000749019_100000742370 [1,0,0,1,0,0|1,0,0]=3 18029 B11R1.236 COC(=O)CCNC1COC1 2230a_100016991112_100000204255 [1,0,0,1,0,0|2,0,0]=4 18030 B11R1.236 COC(=O)CCOC1CCC1 34a_100000748187_100000742370 [1,0,0,1,0,0|1,0,0]=3 18031 B11R1.236 COC(=O)CCOC1CSC1 7a_100000072292_100000204255 [1,0,0,1,0,0|2,0,0]=4 18032 B11R1.236 COC(=O)CCSC1CCC1 62a_100000204255_100000749161 [1,0,0,1,0,0|1,0,0]=3 18033 B11R1.236 COC(=O)CCSC1COC1 62a_100000204255_100009818527 [1,0,0,1,0,0|2,0,0]=4 18034 B11R1.236 COC(=O)CNCC1CCC1 2230a_100000738700_100000747449 [1,0,0,1,0,0|1,0,0]=3 18035 B11R1.236 COC(=O)CNCC1CCC1 34a_100000738700_100000747449 [1,0,0,1,0,0|1,0,0]=3 18036 B11R1.236 COC(=O)CNCC1COC1 2230a_100015281925_100000747449 [1,0,0,1,0,0|2,0,0]=4 18037 B11R1.236 COC(=O)CNCC1COC1 34a_100015281925_100000747449 [1,0,0,1,0,0|2,0,0]=4 18038 B11R1.236 COC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747449 [1,0,0,1,0,0|2,0,0]=4 18039 B11R1.236 COC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000747449 [1,0,0,1,0,0|2,0,0]=4 18040 B11R1.236 COC(=O)COCC1CCC1 34a_100000760304_100000747449 [1,0,0,1,0,0|1,0,0]=3 18041 B11R1.236 COC(=O)COCC1CCO1 34a_100000039022_100000747449 [1,0,0,1,0,0|2,0,0]=4 18042 B11R1.236 COC(=O)COCC1CNC1 34a_100016987283_100000747449 [1,0,0,1,0,0|2,0,0]=4 18043 B11R1.236 COC(=O)COCC1COC1 34a_100000060846_100000747449 [1,0,0,1,0,0|2,0,0]=4 18044 B11R1.236 COC(=O)CSCC1CCC1 62a_100000747449_100000763275 [1,0,0,1,0,0|1,0,0]=3 18045 B11R1.236 COC(=O)CSCC1CCC1 62a_100000763275_100000747449 [1,0,0,1,0,0|1,0,0]=3 18046 B11R1.236 COC(=O)CSCC1CCO1 62a_100000103362_100000747449 [1,0,0,1,0,0|2,0,0]=4 18047 B11R1.236 COC(=O)CSCC1CCO1 62a_100000747449_100000103362 [1,0,0,1,0,0|2,0,0]=4 18048 B11R1.236 COC(=O)CSCC1COC1 62a_100000747449_100010264016 [1,0,0,1,0,0|2,0,0]=4 18049 B11R1.236 COC(=O)CSCC1COC1 62a_100010264016_100000747449 [1,0,0,1,0,0|2,0,0]=4 18050 B11R1.237 CCC(=O)COCCC1CC1 34a_100000725409_100000694398 [1,0,0,1,0,0|1,0,0]=3 18051 B11R1.237 CCC(=O)COCCC1CC1 7a_100000754188_100000747405 [1,0,0,1,0,0|1,0,0]=3 18052 B11R1.237 CCC(=O)COCCC1CO1 34a_100000725409_100000732470 [1,0,0,1,0,0|2,0,0]=4 18053 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000747405_100000764125 [1,0,0,1,0,0|1,0,0]=3 18054 B11R1.237 CCC(=O)CSCCC1CC1 62a_100000764125_100000747405 [1,0,0,1,0,0|1,0,0]=3 18055 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000732470_100000747405 [1,0,0,1,0,0|2,0,0]=4 18056 B11R1.237 CCC(=O)CSCCC1CO1 62a_100000747405_100000732470 [1,0,0,1,0,0|2,0,0]=4 18057 B11R1.237 CCC(=O)NCCNC1CC1 34a_100132302217_100000211595 [1,0,0,1,0,0|2,0,0]=4 18058 B11R1.237 CCC(=O)NCCOC1CC1 34a_200000158885_100000211595 [1,0,0,1,0,0|2,0,0]=4 18059 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000212008_100000741757 [1,0,0,1,0,0|2,0,0]=4 18060 B11R1.237 CNC(=O)CCCNC1CC1 34a_100000740002_100000211595 [1,0,0,1,0,0|2,0,0]=4 18061 B11R1.237 CNC(=O)CCCSC1CC1 62a_100000741757_100000211595 [1,0,0,1,0,0|2,0,0]=4 18062 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000735609_100000737683 [1,0,0,1,0,0|2,0,0]=4 18063 B11R1.237 CNC(=O)CCNCC1CC1 2230a_100000738227_100000742324 [1,0,0,1,0,0|2,0,0]=4 18064 B11R1.237 CNC(=O)CCNCC1CC1 269862a_100000738227_100000741477 [1,0,0,1,0,0|2,0,0]=4 18065 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000735609_100012179268 [1,0,0,1,0,0|2,0,0]=4 18066 B11R1.237 CNC(=O)CCNCC1CC1 34a_100000738227_100000742324 [1,0,0,1,0,0|2,0,0]=4 18067 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000211283_100012179268 [1,0,0,1,0,0|2,0,0]=4 18068 B11R1.237 CNC(=O)CCOCC1CC1 34a_100000754576_100000742324 [1,0,0,1,0,0|2,0,0]=4 18069 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000737683_100000742324 [1,0,0,1,0,0|2,0,0]=4 18070 B11R1.237 CNC(=O)CCSCC1CC1 62a_100000756562_100000737683 [1,0,0,1,0,0|2,0,0]=4 18071 B11R1.237 CNC(=O)CNCCC1CC1 2230a_100000693194_100000694398 [1,0,0,1,0,0|2,0,0]=4 18072 B11R1.237 CNC(=O)CNCCC1CC1 34a_100000764129_100000183359 [1,0,0,1,0,0|2,0,0]=4 18073 B11R1.237 CNC(=O)COCCC1CC1 34a_100000750040_100000694398 [1,0,0,1,0,0|2,0,0]=4 18074 B11R1.237 CNC(=O)COCCC1CC1 34a_100000754188_100000183359 [1,0,0,1,0,0|2,0,0]=4 18075 B11R1.237 CNC(=O)COCCC1CC1 7a_100000754188_100000183359 [1,0,0,1,0,0|2,0,0]=4 18076 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000183359_100000764125 [1,0,0,1,0,0|2,0,0]=4 18077 B11R1.237 CNC(=O)CSCCC1CC1 62a_100000764125_100000183359 [1,0,0,1,0,0|2,0,0]=4 18078 B11R1.237 COC(=O)CCCNC1CC1 34a_100000212008_100000742333 [1,0,0,1,0,0|1,0,0]=3 18079 B11R1.237 COC(=O)CCCSC1CC1 62a_100011218270_100000211595 [1,0,0,1,0,0|1,0,0]=3 18080 B11R1.237 COC(=O)CCNCC1CC1 2230a_100000735609_100000204255 [1,0,0,1,0,0|1,0,0]=3 18081 B11R1.237 COC(=O)CCNCC1CC1 34a_100000735609_100000742370 [1,0,0,1,0,0|1,0,0]=3 18082 B11R1.237 COC(=O)CCOCC1CC1 34a_100000211283_100000742370 [1,0,0,1,0,0|1,0,0]=3 18083 B11R1.237 COC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000742370 [1,0,0,1,0,0|2,0,0]=4 18084 B11R1.237 COC(=O)CCSCC1CC1 62a_100000204255_100000742324 [1,0,0,1,0,0|1,0,0]=3 18085 B11R1.237 COC(=O)CCSCC1CC1 62a_100000756562_100000204255 [1,0,0,1,0,0|1,0,0]=3 18086 B11R1.237 COC(=O)CCSCC1CO1 62a_100000204255_102125554688 [1,0,0,1,0,0|2,0,0]=4 18087 B11R1.237 COC(=O)CCSCC1CO1 62a_102125554688_100000204255 [1,0,0,1,0,0|2,0,0]=4 18088 B11R1.237 COC(=O)CCSCC1CS1 62a_100000031435_100000204255 [1,0,0,1,0,0|2,0,0]=4 18089 B11R1.237 COC(=O)CCSCC1CS1 62a_100000204255_100000031435 [1,0,0,1,0,0|2,0,0]=4 18090 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000204255_100000745022 [1,0,0,1,0,0|2,0,0]=4 18091 B11R1.237 COC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000204255 [1,0,0,1,0,0|2,0,0]=4 18092 B11R1.237 COC(=O)CNCCC1CC1 34a_100000764129_100000747449 [1,0,0,1,0,0|1,0,0]=3 18093 B11R1.237 COC(=O)COCCC1CC1 34a_100000754188_100000747449 [1,0,0,1,0,0|1,0,0]=3 18094 B11R1.237 COC(=O)COCCC1CC1 7a_100000754188_100000747449 [1,0,0,1,0,0|1,0,0]=3 18095 B11R1.237 COC(=O)COCC[C@@H]1CO1 34a_100009820653_100000747449 [1,0,0,1,0,0|2,0,0]=4 18096 B11R1.237 COC(=O)CSCCC1CC1 62a_100000747449_100000764125 [1,0,0,1,0,0|1,0,0]=3 18097 B11R1.237 COC(=O)CSCCC1CC1 62a_100000764125_100000747449 [1,0,0,1,0,0|1,0,0]=3 18098 B11R1.237 COC(=O)CSCCC1CO1 62a_100000732470_100000747449 [1,0,0,1,0,0|2,0,0]=4 18099 B11R1.237 COC(=O)CSCCC1CO1 62a_100000747449_100000732470 [1,0,0,1,0,0|2,0,0]=4 18100 B11R1.237 COC(=O)NCCOC1CC1 34a_100000757965_100000211595 [1,0,0,1,0,0|2,0,0]=4 18101 B11R1.237 COC(=O)OCCOC1CC1 34a_100010262106_100000211595 [1,0,0,1,0,0|2,0,0]=4 18102 B11R1.237 COC(=O)OCSCC1CC1 62a_100000756562_100000139417 [1,0,0,1,0,0|2,0,0]=4 18103 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [1,0,0,1,0,0|0,0,2]=4 18104 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [1,0,0,1,0,0|0,0,2]=4 18105 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [1,0,0,1,0,0|0,0,2]=4 18106 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [1,0,0,1,0,0|0,0,0]=2 18107 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [1,0,0,1,0,0|0,0,0]=2 18108 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [1,0,0,1,0,0|1,0,0]=3 18109 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [1,0,0,1,0,0|1,0,0]=3 18110 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [1,0,0,1,0,0|1,0,0]=3 18111 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [1,0,0,1,0,0|1,0,0]=3 18112 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [1,0,0,1,0,0|2,0,0]=4 18113 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [1,0,0,1,0,0|2,0,0]=4 18114 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [1,0,0,1,0,0|2,0,0]=4 18115 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [1,0,0,1,0,0|2,0,0]=4 18116 B11R1.852 CCN(C)C1CCCCCC1 2230a_100015185097_100000210202 [1,0,0,1,0,0|2,0,0]=4 18117 B11R1.852 CCN(C)C1CCCCCC1 2230a_114901603759_200000210301 [1,0,0,1,0,0|2,0,0]=4 18118 B11R1.852 CCN(C)C1CCCCCC1 269982a_100000225621_100011217769 [1,0,0,1,0,0|2,0,0]=4 18119 B11R1.852 CCN(C)C1CCCCCC1 269982a_100015185097_100000204670 [1,0,0,1,0,0|2,0,0]=4 18120 B11R1.852 CCN(C)C1CCCCCC1 269982a_114901603759_200000210301 [1,0,0,1,0,0|2,0,0]=4 18121 B11R1.852 CCN(C)C1CCCCCC1 34a_100015185097_100000210202 [1,0,0,1,0,0|2,0,0]=4 18122 B11R1.852 CCN(C)C1CCCCCC1 34a_114901603759_200000210301 [1,0,0,1,0,0|2,0,0]=4 18123 B11R1.852 CCN([13CH3])C1CCCCCC1 2230a_114901603759_200025704644 [1,0,0,1,0,0|2,0,0]=4 18124 B11R1.852 CCN([13CH3])C1CCCCCC1 269982a_114901603759_200025704644 [1,0,0,1,0,0|2,0,0]=4 18125 B11R1.852 CCN([13CH3])C1CCCCCC1 34a_114901603759_200025704644 [1,0,0,1,0,0|2,0,0]=4 18126 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [1,0,0,1,0,0|1,0,0]=3 18127 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 18128 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 18129 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [1,0,0,1,0,0|1,0,0]=3 18130 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [1,0,0,1,0,0|2,0,0]=4 18131 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [1,0,0,1,0,0|2,0,0]=4 18132 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [1,0,0,1,0,0|1,0,0]=3 18133 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [1,0,0,1,0,0|1,0,0]=3 18134 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [1,0,0,1,0,0|2,0,0]=4 18135 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [1,0,0,1,0,0|2,0,0]=4 18136 B13R1.6 C#CCCCCN1CCOC(=O)C1 2230a_100000131268_100010269958 [0,1,0,1,0,0|0,0,2]=4 18137 B13R1.6 C=CCCCCN1CCOC(=O)C1 2230a_100000131268_100011215482 [0,1,0,1,0,0|0,0,2]=4 18138 B13R1.6 CC/C=C\CCN1CCOC(=O)C1 2230a_100000131268_100015370543 [0,1,0,1,0,0|0,0,2]=4 18139 B13R1.6 CCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210314 [0,1,0,1,0,0|2,0,0]=4 18140 B13R1.6 CCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210757 [0,1,0,1,0,0|2,0,0]=4 18141 B13R1.6 CCCCCCN1CCC=C(C1)C 34a_100000725631_100000210314 [0,1,0,1,0,0|2,0,0]=4 18142 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [0,1,0,1,0,0|1,0,0]=3 18143 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [0,1,0,1,0,0|0,0,0]=2 18144 B13R1.6 CCCCCCN1CCOC(C1)C 2230a_100000729577_100000210314 [0,1,0,1,0,0|1,0,1]=4 18145 B13R1.6 CCCCCCN1CCOC(C1)C 269982a_100000729577_100000210757 [0,1,0,1,0,0|1,0,1]=4 18146 B13R1.6 CCCCCCN1CCOC(C1)C 34a_100000729577_100000210314 [0,1,0,1,0,0|1,0,1]=4 18147 B13R1.6 CCCCCCN1CCOC(C1)O 2230a_100000688207_100000210314 [0,1,0,1,0,0|0,0,2]=4 18148 B13R1.6 CCCCCCN1CCOC(C1)O 269982a_100000688207_100000210757 [0,1,0,1,0,0|0,0,2]=4 18149 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [0,1,0,1,0,0|1,0,0]=3 18150 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [0,1,0,1,0,0|1,0,0]=3 18151 B13R1.6 CCCCCNC1CCOC(C1)C 270004a_100000209983_100000755752 [0,1,0,1,0,0|1,0,1]=4 18152 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [0,1,0,1,0,0|1,0,0]=3 18153 B13R1.6 CCCCCOC1CCOC(C1)C 34a_100011986385_100000718602 [0,1,0,1,0,0|1,0,1]=4 18154 B13R1.6 CCCCCOC1CCOC(C1)C 7a_100011986385_100000210326 [0,1,0,1,0,0|1,0,1]=4 18155 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [0,1,0,1,0,0|1,0,0]=3 18156 B13R1.6 CCCCOCC1CCCC(=O)N1 34a_200000102386_100000210210 [0,1,0,1,0,0|2,0,0]=4 18157 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [0,1,0,1,0,0|1,0,0]=3 18158 B13R1.6 CCCCOCN1CCNC(=O)C1 2230a_100000184651_100011995733 [0,1,0,1,0,0|2,0,0]=4 18159 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [0,1,0,1,0,0|1,0,0]=3 18160 B13R1.6 CCCOCCN1CCNC(=O)C1 2230a_100000184651_100011215938 [0,1,0,1,0,0|2,0,0]=4 18161 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [0,1,0,1,0,0|1,0,0]=3 18162 B13R1.6 CCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210202 [0,1,0,1,0,0|2,0,0]=4 18163 B13R1.6 CCOCCCN1CCNC(=O)C1 2230a_100000184651_100012232248 [0,1,0,1,0,0|2,0,0]=4 18164 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [0,1,0,1,0,0|1,0,0]=3 18165 B13R1.6 CCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215890 [0,1,0,1,0,0|2,0,0]=4 18166 B13R1.6 CCOCCNC1CCNC(=O)C1 34a_100016994916_100000210147 [0,1,0,1,0,0|2,0,0]=4 18167 B13R1.6 CCOCCOC1CCCC(=O)C1 34a_100012613340_100000210147 [0,1,0,1,0,0|2,0,0]=4 18168 B13R1.6 CCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210147 [0,1,0,1,0,0|2,0,0]=4 18169 B13R1.6 CCSCCNC1CCNC(=O)C1 2230a_100016994916_100000757381 [0,1,0,1,0,0|2,0,0]=4 18170 B13R1.6 CCSCCNC1CCNC(=O)C1 34a_100016994916_100000757381 [0,1,0,1,0,0|2,0,0]=4 18171 B13R1.6 CCSCCOC1CCCC(=O)C1 34a_100012613340_100000757381 [0,1,0,1,0,0|2,0,0]=4 18172 B13R1.6 CCSCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000757381 [0,1,0,1,0,0|2,0,0]=4 18173 B13R1.6 COCCCCN1CCNC(=O)C1 2230a_100000184651_100000730899 [0,1,0,1,0,0|2,0,0]=4 18174 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [0,1,0,1,0,0|1,0,0]=3 18175 B13R1.6 COCCCNC1CCNC(=O)C1 2230a_100016994916_100000740836 [0,1,0,1,0,0|2,0,0]=4 18176 B13R1.6 COCCCNC1CCNC(=O)C1 34a_100016994916_100000740836 [0,1,0,1,0,0|2,0,0]=4 18177 B13R1.6 COCCCOC1CCCC(=O)C1 34a_100012613340_100000740836 [0,1,0,1,0,0|2,0,0]=4 18178 B13R1.6 COCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000740836 [0,1,0,1,0,0|2,0,0]=4 18179 B13R1.6 COCCOCC1CCNC(=O)C1 34a_100009886756_100011201679 [0,1,0,1,0,0|2,0,0]=4 18180 B13R1.6 COCCOCN1CCOC(=O)C1 2230a_100000131268_100000231047 [0,1,0,1,0,0|2,0,0]=4 18181 B13R1.6 CSCCOCC1CCNC(=O)C1 34a_100009886756_100000212216 [0,1,0,1,0,0|2,0,0]=4 18182 B13R1.6 N#CCCCCN1CCOC(=O)C1 2230a_100000131268_100000211819 [0,1,0,1,0,0|1,0,1]=4 18183 B13R1.6 O=C1CC(CCN1)COCCCF 34a_100009886756_100011934791 [0,1,0,1,0,0|2,0,0]=4 18184 B13R1.6 O=C1CC(CCN1)COCCCO 34a_100009886756_100000230001 [0,1,0,1,0,0|2,0,0]=4 18185 B13R1.6 O=C1CC(CCN1)NCCCCF 2230a_100016994916_100000729493 [0,1,0,1,0,0|2,0,0]=4 18186 B13R1.6 O=C1CC(CCN1)NCCCCF 34a_100016994916_100000729493 [0,1,0,1,0,0|2,0,0]=4 18187 B13R1.6 O=C1CC(CCN1)NCCCCO 2230a_100016994916_100000210776 [0,1,0,1,0,0|2,0,0]=4 18188 B13R1.6 O=C1CC(CCN1)NCCCCO 34a_100016994916_100011216708 [0,1,0,1,0,0|2,0,0]=4 18189 B13R1.6 O=C1CCCC(C1)OCCCCF 34a_100012613340_100000729493 [0,1,0,1,0,0|2,0,0]=4 18190 B13R1.6 O=C1CCCC(C1)OCCCCO 34a_100012613340_100011216708 [0,1,0,1,0,0|2,0,0]=4 18191 B13R1.6 O=C1CN(CCN1)CCCCCF 2230a_100000184651_100000729378 [0,1,0,1,0,0|2,0,0]=4 18192 B13R1.6 O=C1CN(CCN1)CCCCCO 2230a_100000184651_100000746330 [0,1,0,1,0,0|2,0,0]=4 18193 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [0,1,0,1,0,0|1,0,0]=3 18194 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [0,1,0,1,0,0|1,0,0]=3 18195 B13R1.6 O=C1CN(CCO1)CCOCCO 2230a_100000131268_100011215305 [0,1,0,1,0,0|2,0,0]=4 18196 B13R1.6 O=C1C[C@@H](CCN1)OCCCCF 34a_100015189427_100000729493 [0,1,0,1,0,0|2,0,0]=4 18197 B13R1.6 O=C1C[C@@H](CCN1)OCCCCO 34a_100015189427_100011216708 [0,1,0,1,0,0|2,0,0]=4 18198 B13R1.6 O=CCCCCN1CCOC(=O)C1 2230a_100000131268_100000139335 [0,1,0,1,0,0|1,0,1]=4 18199 B13R1.42 C=COC(=O)CNC1CCCCC1 2230a_100000182618_100000036128 [0,1,0,1,0,0|0,0,2]=4 18200 B13R1.42 C=COC(=O)CNC1CCCCC1 34a_100000182618_100000036128 [0,1,0,1,0,0|0,0,2]=4 18201 B13R1.42 C=COC(=O)COC1CCCCC1 34a_100000210231_100000036128 [0,1,0,1,0,0|0,0,2]=4 18202 B13R1.42 C=COC(=O)CSC1CCCCC1 62a_100000036128_100000210327 [0,1,0,1,0,0|0,0,2]=4 18203 B13R1.42 C=COC(=O)CSC1CCCCC1 62a_100000210327_100000036128 [0,1,0,1,0,0|0,0,2]=4 18204 B13R1.42 CC#CC(=O)CCC1CCCCC1 1458a_100000763181_100011273959 [0,1,0,1,0,0|1,0,1]=4 18205 B13R1.42 CC#CC(=O)CCC1CCOCC1 1458a_100000763181_100011934994 [0,1,0,1,0,0|1,0,1]=4 18206 B13R1.42 CC#CC(=O)CCN1CCCCC1 1458a_100000763181_100000739454 [0,1,0,1,0,0|1,0,1]=4 18207 B13R1.42 CC#CC(=O)COC1CCCCC1 1458a_100000763181_100011935260 [0,1,0,1,0,0|1,0,1]=4 18208 B13R1.42 CC=CC(=O)CCC1CCCCC1 1458a_100000210699_100011273959 [0,1,0,1,0,0|1,0,1]=4 18209 B13R1.42 CC=CC(=O)CCC1CCOCC1 1458a_100000210699_100011934994 [0,1,0,1,0,0|1,0,1]=4 18210 B13R1.42 CC=CC(=O)CCN1CCCCC1 1458a_100000210699_100000739454 [0,1,0,1,0,0|1,0,1]=4 18211 B13R1.42 CC=CC(=O)COC1CCCCC1 1458a_100000210699_100011935260 [0,1,0,1,0,0|1,0,1]=4 18212 B13R1.42 CC=CC(=O)NCC1CCCCC1 11a_100000210473_100000210699 [0,1,0,1,0,0|1,0,1]=4 18213 B13R1.42 CC=CC(=O)NCC1CCCCC1 1626a_100000210473_100000210699 [0,1,0,1,0,0|1,0,1]=4 18214 B13R1.42 CC=CC(=O)NCC1CCCCC1 240690a_100000210473_100000210699 [0,1,0,1,0,0|1,0,1]=4 18215 B13R1.42 CCCC(=O)C=CC1CCCCC1 1458a_100102566626_100000210303 [0,1,0,1,0,0|1,0,1]=4 18216 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [0,1,0,1,0,0|1,0,0]=3 18217 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [0,1,0,1,0,0|1,0,0]=3 18218 B13R1.42 CCCC(=O)CCC1CCOCC1 1458a_100000211992_100011934994 [0,1,0,1,0,0|1,0,0]=3 18219 B13R1.42 CCCC(=O)CCC1OCCCO1 1458a_100000211992_100000764188 [0,1,0,1,0,0|2,0,0]=4 18220 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000211992_100000739454 [0,1,0,1,0,0|1,0,0]=3 18221 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210303 [0,1,0,1,0,0|1,0,0]=3 18222 B13R1.42 CCCC(=O)CCN1CCCCO1 1458a_200015184090_100000210303 [0,1,0,1,0,0|2,0,0]=4 18223 B13R1.42 CCCC(=O)CCN1CCOCC1 1458a_100000211992_100000753993 [0,1,0,1,0,0|2,0,0]=4 18224 B13R1.42 CCCC(=O)CCN1CCOCC1 1458a_100000749337_100000210303 [0,1,0,1,0,0|2,0,0]=4 18225 B13R1.42 CCCC(=O)CNC1CCCCC1 2230a_100000182618_100000747444 [0,1,0,1,0,0|1,0,0]=3 18226 B13R1.42 CCCC(=O)CNC1CCCOC1 2230a_100000719290_100000747444 [0,1,0,1,0,0|2,0,0]=4 18227 B13R1.42 CCCC(=O)CNC1CCOCC1 2230a_100000741149_100000747444 [0,1,0,1,0,0|2,0,0]=4 18228 B13R1.42 CCCC(=O)CNC1CCSCC1 2230a_100000748639_100000747444 [0,1,0,1,0,0|2,0,0]=4 18229 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [0,1,0,1,0,0|1,0,0]=3 18230 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [0,1,0,1,0,0|1,0,0]=3 18231 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [0,1,0,1,0,0|1,0,0]=3 18232 B13R1.42 CCCC(=O)COC1CCCSC1 7a_100015962668_100000747444 [0,1,0,1,0,0|2,0,0]=4 18233 B13R1.42 CCCC(=O)COC1CCSCC1 7a_100000731022_100000747444 [0,1,0,1,0,0|2,0,0]=4 18234 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000210327_100000747444 [0,1,0,1,0,0|1,0,0]=3 18235 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000747444_100000210327 [0,1,0,1,0,0|1,0,0]=3 18236 B13R1.42 CCCC(=O)CSC1CCCOC1 62a_100000747444_100000693364 [0,1,0,1,0,0|2,0,0]=4 18237 B13R1.42 CCCC(=O)CSC1CCOCC1 62a_100000747444_100011324220 [0,1,0,1,0,0|2,0,0]=4 18238 B13R1.42 CCCC(=O)CSC1CCSCC1 62a_100000747444_100000069128 [0,1,0,1,0,0|2,0,0]=4 18239 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [0,1,0,1,0,0|1,0,0]=3 18240 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [0,1,0,1,0,0|1,0,0]=3 18241 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [0,1,0,1,0,0|1,0,0]=3 18242 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [0,1,0,1,0,0|1,0,0]=3 18243 B13R1.42 CCCC(=O)NCC1CCCCO1 11a_100000174945_100000211992 [0,1,0,1,0,0|2,0,0]=4 18244 B13R1.42 CCCC(=O)NCC1CCCCO1 1626a_100000174945_100000211992 [0,1,0,1,0,0|2,0,0]=4 18245 B13R1.42 CCCC(=O)NCC1CCCCO1 240690a_100000174945_100000211992 [0,1,0,1,0,0|2,0,0]=4 18246 B13R1.42 CCCC(=O)NCC1CCCCO1 527a_100000174945_100000211992 [0,1,0,1,0,0|2,0,0]=4 18247 B13R1.42 CCCC(=O)NCC1CCCOC1 11a_100000720124_100000211992 [0,1,0,1,0,0|2,0,0]=4 18248 B13R1.42 CCCC(=O)NCC1CCCOC1 1626a_100000720124_100000211992 [0,1,0,1,0,0|2,0,0]=4 18249 B13R1.42 CCCC(=O)NCC1CCCOC1 240690a_100000720124_100000211992 [0,1,0,1,0,0|2,0,0]=4 18250 B13R1.42 CCCC(=O)NCC1CCCOC1 527a_100000720124_100000211992 [0,1,0,1,0,0|2,0,0]=4 18251 B13R1.42 CCCC(=O)NCC1CCOCC1 11a_100000746373_100000211992 [0,1,0,1,0,0|2,0,0]=4 18252 B13R1.42 CCCC(=O)NCC1CCOCC1 1626a_100000746373_100000211992 [0,1,0,1,0,0|2,0,0]=4 18253 B13R1.42 CCCC(=O)NCC1CCOCC1 240690a_100000746373_100000211992 [0,1,0,1,0,0|2,0,0]=4 18254 B13R1.42 CCCC(=O)NCC1CCOCC1 527a_100000746373_100000211992 [0,1,0,1,0,0|2,0,0]=4 18255 B13R1.42 CCCC(=O)NCC1CCSCC1 11a_100015188806_100000211992 [0,1,0,1,0,0|2,0,0]=4 18256 B13R1.42 CCCC(=O)NCC1CCSCC1 240690a_100015188806_100000211992 [0,1,0,1,0,0|2,0,0]=4 18257 B13R1.42 CCCC(=O)NCC1CCSCC1 527a_100015188806_100000211992 [0,1,0,1,0,0|2,0,0]=4 18258 B13R1.42 CCCC(=O)NNC1CCCCC1 22a_100000709804_100000211992 [0,1,0,1,0,0|2,0,0]=4 18259 B13R1.42 CCNC(=O)C=CC1CCCCC1 11a_100015525214_100102566626 [0,1,0,1,0,0|1,0,1]=4 18260 B13R1.42 CCNC(=O)C=CC1CCCCC1 240690a_100015525214_100102566626 [0,1,0,1,0,0|1,0,1]=4 18261 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [0,1,0,1,0,0|1,0,0]=3 18262 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [0,1,0,1,0,0|1,0,0]=3 18263 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [0,1,0,1,0,0|1,0,0]=3 18264 B13R1.42 CCNC(=O)CCN1CCCCC1 240690a_100015525214_100000743487 [0,1,0,1,0,0|1,0,0]=3 18265 B13R1.42 CCNC(=O)CCN1CCCCO1 240690a_100015525214_200015184090 [0,1,0,1,0,0|2,0,0]=4 18266 B13R1.42 CCNC(=O)CCN1CCCOC1 2230a_100000131196_100000737597 [0,1,0,1,0,0|2,0,0]=4 18267 B13R1.42 CCNC(=O)CCN1CCCOC1 269982a_100000131196_100000737597 [0,1,0,1,0,0|2,0,0]=4 18268 B13R1.42 CCNC(=O)CCN1CCOCC1 2230a_100015191051_100000737597 [0,1,0,1,0,0|2,0,0]=4 18269 B13R1.42 CCNC(=O)CCN1CCOCC1 240690a_100015525214_100000749337 [0,1,0,1,0,0|2,0,0]=4 18270 B13R1.42 CCNC(=O)CCN1CCOCC1 269982a_100015191051_100000737597 [0,1,0,1,0,0|2,0,0]=4 18271 B13R1.42 CCNC(=O)CCN1CCOCC1 527a_100015525214_100000749337 [0,1,0,1,0,0|2,0,0]=4 18272 B13R1.42 CCNC(=O)CCN1CCSCC1 2230a_100000737611_100000737597 [0,1,0,1,0,0|2,0,0]=4 18273 B13R1.42 CCNC(=O)CCN1CCSCC1 269982a_100000737611_100000737597 [0,1,0,1,0,0|2,0,0]=4 18274 B13R1.42 CCNC(=O)CNC1CCCCC1 2230a_100000182618_100000183381 [0,1,0,1,0,0|1,0,0]=3 18275 B13R1.42 CCNC(=O)CNC1CCCCC1 270004a_100016988866_100000210434 [0,1,0,1,0,0|1,0,0]=3 18276 B13R1.42 CCNC(=O)CNC1CCCCC1 34a_100000182618_100000183381 [0,1,0,1,0,0|1,0,0]=3 18277 B13R1.42 CCNC(=O)CNC1CCCOC1 2230a_100000719290_100000183381 [0,1,0,1,0,0|2,0,0]=4 18278 B13R1.42 CCNC(=O)CNC1CCCOC1 270004a_100016988866_100000753404 [0,1,0,1,0,0|2,0,0]=4 18279 B13R1.42 CCNC(=O)CNC1CCCOC1 34a_100000719290_100000183381 [0,1,0,1,0,0|2,0,0]=4 18280 B13R1.42 CCNC(=O)CNC1CCCSC1 270004a_100016988866_100000057913 [0,1,0,1,0,0|2,0,0]=4 18281 B13R1.42 CCNC(=O)CNC1CCNCC1 270004a_100016988866_100015192401 [0,1,0,1,0,0|2,0,0]=4 18282 B13R1.42 CCNC(=O)CNC1CCOCC1 2230a_100000741149_100000183381 [0,1,0,1,0,0|2,0,0]=4 18283 B13R1.42 CCNC(=O)CNC1CCOCC1 270004a_100016988866_100011217826 [0,1,0,1,0,0|2,0,0]=4 18284 B13R1.42 CCNC(=O)CNC1CCOCC1 34a_100000741149_100000183381 [0,1,0,1,0,0|2,0,0]=4 18285 B13R1.42 CCNC(=O)CNC1CCSCC1 2230a_100000748639_100000183381 [0,1,0,1,0,0|2,0,0]=4 18286 B13R1.42 CCNC(=O)CNC1CCSCC1 270004a_100016988866_100000203788 [0,1,0,1,0,0|2,0,0]=4 18287 B13R1.42 CCNC(=O)CNC1CCSCC1 34a_100000748639_100000183381 [0,1,0,1,0,0|2,0,0]=4 18288 B13R1.42 CCNC(=O)COC1CCCCC1 11a_100015525214_100011223303 [0,1,0,1,0,0|1,0,0]=3 18289 B13R1.42 CCNC(=O)COC1CCCCC1 240690a_100015525214_100011223303 [0,1,0,1,0,0|1,0,0]=3 18290 B13R1.42 CCNC(=O)COC1CCCCC1 34a_100000210231_100000183381 [0,1,0,1,0,0|1,0,0]=3 18291 B13R1.42 CCNC(=O)COC1CCCCC1 527a_100015525214_100011223303 [0,1,0,1,0,0|1,0,0]=3 18292 B13R1.42 CCNC(=O)COC1CCCCC1 7a_100000210231_100000183381 [0,1,0,1,0,0|1,0,0]=3 18293 B13R1.42 CCNC(=O)COC1CCCCO1 34a_100000033831_100000183381 [0,1,0,1,0,0|2,0,0]=4 18294 B13R1.42 CCNC(=O)COC1CCCOC1 34a_100000754041_100000183381 [0,1,0,1,0,0|2,0,0]=4 18295 B13R1.42 CCNC(=O)COC1CCCSC1 7a_100015962668_100000183381 [0,1,0,1,0,0|2,0,0]=4 18296 B13R1.42 CCNC(=O)COC1CCOCC1 34a_100000744328_100000183381 [0,1,0,1,0,0|2,0,0]=4 18297 B13R1.42 CCNC(=O)COC1CCSCC1 34a_100000731022_100000183381 [0,1,0,1,0,0|2,0,0]=4 18298 B13R1.42 CCNC(=O)COC1CCSCC1 7a_100000731022_100000183381 [0,1,0,1,0,0|2,0,0]=4 18299 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000183381_100000210327 [0,1,0,1,0,0|1,0,0]=3 18300 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000210327_100000183381 [0,1,0,1,0,0|1,0,0]=3 18301 B13R1.42 CCNC(=O)CSC1CCCOC1 62a_100000183381_100000693364 [0,1,0,1,0,0|2,0,0]=4 18302 B13R1.42 CCNC(=O)CSC1CCOCC1 62a_100000183381_100011324220 [0,1,0,1,0,0|2,0,0]=4 18303 B13R1.42 CCNC(=O)CSC1CCSCC1 62a_100000183381_100000069128 [0,1,0,1,0,0|2,0,0]=4 18304 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [0,1,0,1,0,0|1,0,0]=3 18305 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [0,1,0,1,0,0|1,0,0]=3 18306 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [0,1,0,1,0,0|1,0,0]=3 18307 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [0,1,0,1,0,0|1,0,0]=3 18308 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [0,1,0,1,0,0|1,0,0]=3 18309 B13R1.42 CCNC(=O)NCC1CCCCO1 2708a_100000174945_100015525214 [0,1,0,1,0,0|2,0,0]=4 18310 B13R1.42 CCNC(=O)NCC1CCCCO1 2708a_100015525214_100000174945 [0,1,0,1,0,0|2,0,0]=4 18311 B13R1.42 CCNC(=O)NCC1CCCCO1 273464a_100000174945_100015525214 [0,1,0,1,0,0|2,0,0]=4 18312 B13R1.42 CCNC(=O)NCC1CCCCO1 273464a_100015525214_100000174945 [0,1,0,1,0,0|2,0,0]=4 18313 B13R1.42 CCNC(=O)NCC1CCCCO1 512a_100000174945_100015525214 [0,1,0,1,0,0|2,0,0]=4 18314 B13R1.42 CCNC(=O)NCC1CCCCO1 512a_100015525214_100000174945 [0,1,0,1,0,0|2,0,0]=4 18315 B13R1.42 CCNC(=O)NCC1CCCOC1 2708a_100000720124_100015525214 [0,1,0,1,0,0|2,0,0]=4 18316 B13R1.42 CCNC(=O)NCC1CCCOC1 2708a_100015525214_100000720124 [0,1,0,1,0,0|2,0,0]=4 18317 B13R1.42 CCNC(=O)NCC1CCCOC1 273464a_100000720124_100015525214 [0,1,0,1,0,0|2,0,0]=4 18318 B13R1.42 CCNC(=O)NCC1CCCOC1 273464a_100015525214_100000720124 [0,1,0,1,0,0|2,0,0]=4 18319 B13R1.42 CCNC(=O)NCC1CCCOC1 512a_100000720124_100015525214 [0,1,0,1,0,0|2,0,0]=4 18320 B13R1.42 CCNC(=O)NCC1CCCOC1 512a_100015525214_100000720124 [0,1,0,1,0,0|2,0,0]=4 18321 B13R1.42 CCNC(=O)NCC1CCOCC1 2708a_100000746373_100015525214 [0,1,0,1,0,0|2,0,0]=4 18322 B13R1.42 CCNC(=O)NCC1CCOCC1 2708a_100015525214_100000746373 [0,1,0,1,0,0|2,0,0]=4 18323 B13R1.42 CCNC(=O)NCC1CCOCC1 273464a_100000746373_100015525214 [0,1,0,1,0,0|2,0,0]=4 18324 B13R1.42 CCNC(=O)NCC1CCOCC1 273464a_100015525214_100000746373 [0,1,0,1,0,0|2,0,0]=4 18325 B13R1.42 CCNC(=O)NCC1CCOCC1 512a_100000746373_100015525214 [0,1,0,1,0,0|2,0,0]=4 18326 B13R1.42 CCNC(=O)NCC1CCOCC1 512a_100015525214_100000746373 [0,1,0,1,0,0|2,0,0]=4 18327 B13R1.42 CCNC(=O)NCC1CCSCC1 2708a_100015188806_100015525214 [0,1,0,1,0,0|2,0,0]=4 18328 B13R1.42 CCNC(=O)NCC1CCSCC1 2708a_100015525214_100015188806 [0,1,0,1,0,0|2,0,0]=4 18329 B13R1.42 CCNC(=O)NCC1CCSCC1 273464a_100015188806_100015525214 [0,1,0,1,0,0|2,0,0]=4 18330 B13R1.42 CCNC(=O)NCC1CCSCC1 273464a_100015525214_100015188806 [0,1,0,1,0,0|2,0,0]=4 18331 B13R1.42 CCNC(=O)NCC1CCSCC1 512a_100015188806_100015525214 [0,1,0,1,0,0|2,0,0]=4 18332 B13R1.42 CCNC(=O)NCC1CCSCC1 512a_100015525214_100015188806 [0,1,0,1,0,0|2,0,0]=4 18333 B13R1.42 CCNC(=O)NNC1CCCCC1 273464a_100015525214_100000709804 [0,1,0,1,0,0|2,0,0]=4 18334 B13R1.42 CCOC(=O)CCN1CC=CCC1 2230a_100000698166_100011206558 [0,1,0,1,0,0|0,0,2]=4 18335 B13R1.42 CCOC(=O)CCN1CC=CCC1 269982a_100000698166_100011206558 [0,1,0,1,0,0|0,0,2]=4 18336 B13R1.42 CCOC(=O)CCN1CC=CCC1 34a_100000698166_100000765890 [0,1,0,1,0,0|0,0,2]=4 18337 B13R1.42 CCOC(=O)CCN1CCCOC1 2230a_100000131196_100011206558 [0,1,0,1,0,0|1,0,0]=3 18338 B13R1.42 CCOC(=O)CCN1CCCOC1 269982a_100000131196_100011206558 [0,1,0,1,0,0|1,0,0]=3 18339 B13R1.42 CCOC(=O)CCN1CCCOC1 34a_100000131196_100000765890 [0,1,0,1,0,0|1,0,0]=3 18340 B13R1.42 CCOC(=O)CCN1CCOCC1 2230a_100015191051_100011206558 [0,1,0,1,0,0|1,0,0]=3 18341 B13R1.42 CCOC(=O)CCN1CCOCC1 269982a_100015191051_100011206558 [0,1,0,1,0,0|1,0,0]=3 18342 B13R1.42 CCOC(=O)CCN1CCOCC1 34a_100015191051_100000765890 [0,1,0,1,0,0|1,0,0]=3 18343 B13R1.42 CCOC(=O)CCN1CCSCC1 2230a_100000737611_100011206558 [0,1,0,1,0,0|1,0,0]=3 18344 B13R1.42 CCOC(=O)CCN1CCSCC1 269982a_100000737611_100011206558 [0,1,0,1,0,0|1,0,0]=3 18345 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [0,1,0,1,0,0|0,0,0]=2 18346 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [0,1,0,1,0,0|0,0,0]=2 18347 B13R1.42 CCOC(=O)CNC1CCCOC1 2230a_100000719290_100000188475 [0,1,0,1,0,0|1,0,0]=3 18348 B13R1.42 CCOC(=O)CNC1CCCOC1 34a_100000719290_100000188475 [0,1,0,1,0,0|1,0,0]=3 18349 B13R1.42 CCOC(=O)CNC1CCOCC1 2230a_100000741149_100000188475 [0,1,0,1,0,0|1,0,0]=3 18350 B13R1.42 CCOC(=O)CNC1CCOCC1 34a_100000741149_100000188475 [0,1,0,1,0,0|1,0,0]=3 18351 B13R1.42 CCOC(=O)CNC1CCSCC1 2230a_100000748639_100000188475 [0,1,0,1,0,0|1,0,0]=3 18352 B13R1.42 CCOC(=O)CNC1CCSCC1 34a_100000748639_100000188475 [0,1,0,1,0,0|1,0,0]=3 18353 B13R1.42 CCOC(=O)COC1C=CCCC1 34a_100011215024_100000188475 [0,1,0,1,0,0|0,0,2]=4 18354 B13R1.42 CCOC(=O)COC1CC=CCC1 34a_100000073881_100000188475 [0,1,0,1,0,0|0,0,2]=4 18355 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [0,1,0,1,0,0|0,0,0]=2 18356 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [0,1,0,1,0,0|0,0,0]=2 18357 B13R1.42 CCOC(=O)COC1CCCCO1 34a_100000033831_100000188475 [0,1,0,1,0,0|1,0,0]=3 18358 B13R1.42 CCOC(=O)COC1CCCOC1 34a_100000754041_100000188475 [0,1,0,1,0,0|1,0,0]=3 18359 B13R1.42 CCOC(=O)COC1CCCSC1 7a_100015962668_100000188475 [0,1,0,1,0,0|1,0,0]=3 18360 B13R1.42 CCOC(=O)COC1CCOCC1 34a_100000744328_100000188475 [0,1,0,1,0,0|1,0,0]=3 18361 B13R1.42 CCOC(=O)COC1CCSCC1 34a_100000731022_100000188475 [0,1,0,1,0,0|1,0,0]=3 18362 B13R1.42 CCOC(=O)COC1CCSCC1 7a_100000731022_100000188475 [0,1,0,1,0,0|1,0,0]=3 18363 B13R1.42 CCOC(=O)CSC1C=CCCC1 62a_100000188475_100000751183 [0,1,0,1,0,0|0,0,2]=4 18364 B13R1.42 CCOC(=O)CSC1C=CCCC1 62a_100000751183_100000188475 [0,1,0,1,0,0|0,0,2]=4 18365 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [0,1,0,1,0,0|0,0,0]=2 18366 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [0,1,0,1,0,0|0,0,0]=2 18367 B13R1.42 CCOC(=O)CSC1CCCOC1 62a_100000188475_100000693364 [0,1,0,1,0,0|1,0,0]=3 18368 B13R1.42 CCOC(=O)CSC1CCOCC1 62a_100000188475_100011324220 [0,1,0,1,0,0|1,0,0]=3 18369 B13R1.42 CCOC(=O)CSC1CCSCC1 62a_100000188475_100000069128 [0,1,0,1,0,0|1,0,0]=3 18370 B13R1.42 CCOC(C)CNC1CCCCC1 34a_100000202029_100000210202 [0,1,0,1,0,0|1,0,1]=4 18371 B13R1.42 CNCC(=O)NCC1CCCCC1 2230a_106832991635_100000183341 [0,1,0,1,0,0|2,0,0]=4 18372 B13R1.42 CNCC(=O)NCC1CCCCC1 34a_100102657272_100000183341 [0,1,0,1,0,0|2,0,0]=4 18373 B13R1.42 CNCC(=O)NCC1CCCCC1 7a_106832991635_100000183341 [0,1,0,1,0,0|2,0,0]=4 18374 B13R1.42 CNNC(=O)CCC1CCCCC1 22a_100016993582_100000211375 [0,1,0,1,0,0|2,0,0]=4 18375 B13R1.42 CNNC(=O)CCN1CCCCC1 22a_100016993582_100000743487 [0,1,0,1,0,0|2,0,0]=4 18376 B13R1.42 CNNC(=O)COC1CCCCC1 22a_100016993582_100011223303 [0,1,0,1,0,0|2,0,0]=4 18377 B13R1.42 CNNC(=O)NCC1CCCCC1 273464a_100000210473_100016993582 [0,1,0,1,0,0|2,0,0]=4 18378 B13R1.42 CNNC(=O)NCC1CCCCC1 512a_100016993582_100000210473 [0,1,0,1,0,0|2,0,0]=4 18379 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [0,1,0,1,0,0|2,0,0]=4 18380 B13R1.42 COCC(=O)CCC1CCOCC1 1458a_100000210968_100011934994 [0,1,0,1,0,0|2,0,0]=4 18381 B13R1.42 COCC(=O)CCN1CCCCC1 1458a_100000210968_100000739454 [0,1,0,1,0,0|2,0,0]=4 18382 B13R1.42 COCC(=O)COC1CCCCC1 1458a_100000210968_100011935260 [0,1,0,1,0,0|2,0,0]=4 18383 B13R1.42 COCC(=O)NCC1CCCCC1 11a_100000210473_100000210968 [0,1,0,1,0,0|2,0,0]=4 18384 B13R1.42 COCC(=O)NCC1CCCCC1 1626a_100000210473_100000210968 [0,1,0,1,0,0|2,0,0]=4 18385 B13R1.42 COCC(=O)NCC1CCCCC1 240690a_100000210473_100000210968 [0,1,0,1,0,0|2,0,0]=4 18386 B13R1.42 COCC(=O)NCC1CCCCC1 34a_100138415774_100000183341 [0,1,0,1,0,0|2,0,0]=4 18387 B13R1.42 COCC(=O)NCC1CCCCC1 527a_100000210473_100000210968 [0,1,0,1,0,0|2,0,0]=4 18388 B13R1.42 CSCC(=O)CCC1CCCCC1 1458a_100000184570_100011273959 [0,1,0,1,0,0|2,0,0]=4 18389 B13R1.42 CSCC(=O)CCC1CCOCC1 1458a_100000184570_100011934994 [0,1,0,1,0,0|2,0,0]=4 18390 B13R1.42 CSCC(=O)CCN1CCCCC1 1458a_100000184570_100000739454 [0,1,0,1,0,0|2,0,0]=4 18391 B13R1.42 CSCC(=O)COC1CCCCC1 1458a_100000184570_100011935260 [0,1,0,1,0,0|2,0,0]=4 18392 B13R1.42 CSCC(=O)NCC1CCCCC1 11a_100000210473_100000184570 [0,1,0,1,0,0|2,0,0]=4 18393 B13R1.42 CSCC(=O)NCC1CCCCC1 1626a_100000210473_100000184570 [0,1,0,1,0,0|2,0,0]=4 18394 B13R1.42 CSCC(=O)NCC1CCCCC1 240690a_100000210473_100000184570 [0,1,0,1,0,0|2,0,0]=4 18395 B13R1.42 CSCC(=O)NCC1CCCCC1 527a_100000210473_100000184570 [0,1,0,1,0,0|2,0,0]=4 18396 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_100000183341_200000210301 [0,1,0,1,0,0|2,0,0]=4 18397 B13R1.42 CSCC(=O)NCC1CCCCC1 62a_200000210301_100000183341 [0,1,0,1,0,0|2,0,0]=4 18398 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [0,1,0,1,0,0|2,0,0]=4 18399 B13R1.42 O=C(CCF)CCN1CCCCC1 1458a_100000743487_100011217306 [0,1,0,1,0,0|2,0,0]=4 18400 B13R1.42 O=C(CCF)COC1CCCCC1 1458a_100011223303_100011217306 [0,1,0,1,0,0|2,0,0]=4 18401 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [0,1,0,1,0,0|2,0,0]=4 18402 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [0,1,0,1,0,0|2,0,0]=4 18403 B13R1.42 O=C(CCO)CCC1CCOCC1 1458a_100011216618_100011934994 [0,1,0,1,0,0|2,0,0]=4 18404 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100000743487_100000211926 [0,1,0,1,0,0|2,0,0]=4 18405 B13R1.42 O=C(CCO)CCN1CCCCC1 1458a_100011216618_100000739454 [0,1,0,1,0,0|2,0,0]=4 18406 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011216618_100011935260 [0,1,0,1,0,0|2,0,0]=4 18407 B13R1.42 O=C(CCO)COC1CCCCC1 1458a_100011223303_100000211926 [0,1,0,1,0,0|2,0,0]=4 18408 B13R1.42 O=C(CCO)NCC1CCCCC1 240690a_100000210473_100011216618 [0,1,0,1,0,0|2,0,0]=4 18409 B13R1.42 O=C(CNC1CCCCC1)NCO 2230a_100000182618_100000185155 [0,1,0,1,0,0|2,0,0]=4 18410 B13R1.42 O=C(CNC1CCCCC1)NCO 34a_100000182618_100000185155 [0,1,0,1,0,0|2,0,0]=4 18411 B13R1.42 O=C(COC1CCCCC1)NCO 34a_100000210231_100000185155 [0,1,0,1,0,0|2,0,0]=4 18412 B13R1.42 O=C(COC1CCCCC1)NCO 7a_100000210231_100000185155 [0,1,0,1,0,0|2,0,0]=4 18413 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000185155_100000210327 [0,1,0,1,0,0|2,0,0]=4 18414 B13R1.42 O=C(CSC1CCCCC1)NCO 62a_100000210327_100000185155 [0,1,0,1,0,0|2,0,0]=4 18415 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_100000183341_200025704644 [0,1,0,1,0,0|2,0,0]=4 18416 B13R1.42 [13CH3]SCC(=O)NCC1CCCCC1 62a_200025704644_100000183341 [0,1,0,1,0,0|2,0,0]=4 18417 B13R1.119 CCCCCCCOC1CCCO1 34a_100000085407_100000210614 [0,1,0,1,0,0|1,0,1]=4 18418 B13R1.119 CCCCCCNCC1CCCO1 2230a_100000210581_100000203698 [0,1,0,1,0,0|1,0,1]=4 18419 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000036311_100000210314 [0,1,0,1,0,0|0,0,2]=4 18420 B13R1.119 CCCCCCNCC1OCCO1 2230a_100000210581_100000755774 [0,1,0,1,0,0|0,0,2]=4 18421 B13R1.119 CCCCCCNCC1OCCO1 34a_100000036311_100000210314 [0,1,0,1,0,0|0,0,2]=4 18422 B13R1.119 CCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210314 [0,1,0,1,0,0|1,0,1]=4 18423 B13R1.119 CCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210314 [0,1,0,1,0,0|1,0,1]=4 18424 B13R1.119 CCCCCCOCC1=NCCN1 34a_100000210259_100000737910 [0,1,0,1,0,0|2,0,0]=4 18425 B13R1.119 CCCCCCOCC1=NCCN1 7a_100000210259_100000737910 [0,1,0,1,0,0|2,0,0]=4 18426 B13R1.119 CCCCCCOCC1CCCO1 34a_100000210270_100000210314 [0,1,0,1,0,0|1,0,1]=4 18427 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210259_100000203698 [0,1,0,1,0,0|1,0,1]=4 18428 B13R1.119 CCCCCCOCC1CCCO1 7a_100000210270_100000210314 [0,1,0,1,0,0|1,0,1]=4 18429 B13R1.119 CCCCCCOCC1OCCO1 34a_100000087154_100000210314 [0,1,0,1,0,0|0,0,2]=4 18430 B13R1.119 CCCCCCOCC1OCCO1 34a_100000210259_100000755774 [0,1,0,1,0,0|0,0,2]=4 18431 B13R1.119 CCCCCCOCC1OCCO1 7a_100000210259_100000755774 [0,1,0,1,0,0|0,0,2]=4 18432 B13R1.119 CCCCCCSCC1=NCCN1 62a_100000210314_100000737910 [0,1,0,1,0,0|2,0,0]=4 18433 B13R1.119 CCCCCCSCC1=NCCN1 62a_100000737910_100000210757 [0,1,0,1,0,0|2,0,0]=4 18434 B13R1.119 CCCCCCSCC1CCCO1 62a_100000203698_100000210757 [0,1,0,1,0,0|1,0,1]=4 18435 B13R1.119 CCCCCCSCC1CCCO1 62a_100000210314_100000203698 [0,1,0,1,0,0|1,0,1]=4 18436 B13R1.119 CCCCCCSCC1OCCO1 62a_100000210314_100000755774 [0,1,0,1,0,0|0,0,2]=4 18437 B13R1.119 CCCCCCSCC1OCCO1 62a_100000755774_100000210757 [0,1,0,1,0,0|0,0,2]=4 18438 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000034215_100000210326 [0,1,0,1,0,0|0,0,2]=4 18439 B13R1.119 CCCCCNCCC1OCCO1 2230a_100000209983_100000740749 [0,1,0,1,0,0|0,0,2]=4 18440 B13R1.119 CCCCCNCCC1OCCO1 34a_100000034215_100000718602 [0,1,0,1,0,0|0,0,2]=4 18441 B13R1.119 CCCCCOCCC1OCCO1 34a_100000210253_100000740749 [0,1,0,1,0,0|0,0,2]=4 18442 B13R1.119 CCCCCOCCC1OCCO1 7a_100000210253_100000740749 [0,1,0,1,0,0|0,0,2]=4 18443 B13R1.119 CCCCCSCCC1OCCO1 62a_100000210326_100000740749 [0,1,0,1,0,0|0,0,2]=4 18444 B13R1.119 CCCCNCCCC1OCCO1 2230a_100000102301_100000042513 [0,1,0,1,0,0|0,0,2]=4 18445 B13R1.119 CCCCNCCCC1OCCO1 7a_106832991798_100000042513 [0,1,0,1,0,0|0,0,2]=4 18446 B13R1.119 CCCCOCCCC1OCCO1 34a_100000210227_100009861162 [0,1,0,1,0,0|0,0,2]=4 18447 B13R1.119 CCCCOCCCC1OCCO1 34a_100009871617_100000210210 [0,1,0,1,0,0|0,0,2]=4 18448 B13R1.119 CCCCOCCCC1OCCO1 7a_100000210227_100000042513 [0,1,0,1,0,0|0,0,2]=4 18449 B13R1.119 CCCCOCCCC1OCCO1 7a_100009871617_100000210211 [0,1,0,1,0,0|0,0,2]=4 18450 B13R1.119 CCCCSCCCC1OCCO1 62a_100000210211_100000042513 [0,1,0,1,0,0|0,0,2]=4 18451 B13R1.119 CCCOCCCCC1OCCO1 34a_100000210258_200009813554 [0,1,0,1,0,0|0,0,2]=4 18452 B13R1.119 CCCSCCCCC1OCCO1 62a_100000210303_100000034956 [0,1,0,1,0,0|0,0,2]=4 18453 B13R1.190 CC1CC(C(=O)O1)NCCCCO 2230a_100000750430_200000216747 [0,1,0,1,0,0|2,0,0]=4 18454 B13R1.190 CC1CC(C(=O)O1)NCCCCO 34a_100000750430_200000216747 [0,1,0,1,0,0|2,0,0]=4 18455 B13R1.190 CC1CC(C(=O)O1)OCCCCBr 34a_100011216708_200000216747 [0,1,0,1,0,0|2,0,0]=4 18456 B13R1.190 CC1CC(C(=O)O1)OCCCCCl 34a_100000210776_200000216747 [0,1,0,1,0,0|2,0,0]=4 18457 B13R1.190 CC1CC(C(=O)O1)OCCCCCl 7a_100000210776_200000216747 [0,1,0,1,0,0|2,0,0]=4 18458 B13R1.190 CC1CC(C(=O)O1)OCCCCF 34a_100011995726_200000216747 [0,1,0,1,0,0|2,0,0]=4 18459 B13R1.190 CC1CC(C(=O)O1)OCCCCF 7a_100011995726_200000216747 [0,1,0,1,0,0|2,0,0]=4 18460 B13R1.190 CC1CC(C(=O)O1)OCCCCI 34a_200012148704_200000216747 [0,1,0,1,0,0|2,0,0]=4 18461 B13R1.190 CC1CC(C(=O)O1)OCCCCN 34a_100000750430_200000216747 [0,1,0,1,0,0|2,0,0]=4 18462 B13R1.190 CC1CC(C(=O)O1)SCCCCF 62a_100000729493_200000216747 [0,1,0,1,0,0|2,0,0]=4 18463 B13R1.190 CC1CC(C(=O)O1)SCCCCF 62a_200000216747_100000729493 [0,1,0,1,0,0|2,0,0]=4 18464 B13R1.190 CC1CC(C(=O)O1)SCCCCO 62a_100000210776_200000216747 [0,1,0,1,0,0|2,0,0]=4 18465 B13R1.190 CC1CC(C(=O)O1)SCCCCO 62a_200000216747_100000210776 [0,1,0,1,0,0|2,0,0]=4 18466 B13R1.190 CCCCCNC1CC(OC1=O)C 2230a_100000209983_200000216747 [0,1,0,1,0,0|1,0,0]=3 18467 B13R1.190 CCCCCOC1CC(OC1=O)C 34a_100000210253_200000216747 [0,1,0,1,0,0|1,0,0]=3 18468 B13R1.190 CCCCCOC1CC(OC1=O)C 7a_100000210253_200000216747 [0,1,0,1,0,0|1,0,0]=3 18469 B13R1.190 CCCCCSC1CC(OC1=O)C 62a_100000210326_200000216747 [0,1,0,1,0,0|1,0,0]=3 18470 B13R1.190 CCCCCSC1CC(OC1=O)C 62a_200000216747_100000210326 [0,1,0,1,0,0|1,0,0]=3 18471 B13R1.190 CCOCCNC1CC(OC1=O)C 2230a_102516460346_200000216747 [0,1,0,1,0,0|2,0,0]=4 18472 B13R1.190 CCOCCNC1CC(OC1=O)C 34a_102516460346_200000216747 [0,1,0,1,0,0|2,0,0]=4 18473 B13R1.190 CCOCCOC1CC(OC1=O)C 34a_100000210136_200000216747 [0,1,0,1,0,0|2,0,0]=4 18474 B13R1.190 CCOCCOC1CC(OC1=O)C 7a_100000210136_200000216747 [0,1,0,1,0,0|2,0,0]=4 18475 B13R1.190 CCOCCSC1CC(OC1=O)C 62a_100000210147_200000216747 [0,1,0,1,0,0|2,0,0]=4 18476 B13R1.190 CCOCCSC1CC(OC1=O)C 62a_200000216747_100011215890 [0,1,0,1,0,0|2,0,0]=4 18477 B13R1.190 CCSCCNC1CC(OC1=O)C 2230a_100000106463_200000216747 [0,1,0,1,0,0|2,0,0]=4 18478 B13R1.190 CCSCCOC1CC(OC1=O)C 34a_100000212035_200000216747 [0,1,0,1,0,0|2,0,0]=4 18479 B13R1.190 CCSCCOC1CC(OC1=O)C 7a_100000212035_200000216747 [0,1,0,1,0,0|2,0,0]=4 18480 B13R1.190 CCSCCSC1CC(OC1=O)C 62a_100000757381_200000216747 [0,1,0,1,0,0|2,0,0]=4 18481 B13R1.190 CCSCCSC1CC(OC1=O)C 62a_200000216747_100000757381 [0,1,0,1,0,0|2,0,0]=4 18482 B13R1.190 CNCCCOC1CC(OC1=O)C 34a_100000213112_200000216747 [0,1,0,1,0,0|2,0,0]=4 18483 B13R1.190 COCCCNC1CC(OC1=O)C 34a_100150723488_200000216747 [0,1,0,1,0,0|2,0,0]=4 18484 B13R1.190 COCCCOC1CC(OC1=O)C 34a_100000740835_200000216747 [0,1,0,1,0,0|2,0,0]=4 18485 B13R1.190 COCCCSC1CC(OC1=O)C 62a_100000709357_200000216747 [0,1,0,1,0,0|2,0,0]=4 18486 B13R1.190 COCCCSC1CC(OC1=O)C 62a_200000216747_100000709357 [0,1,0,1,0,0|2,0,0]=4 18487 B13R1.190 CSCCCNC1CC(OC1=O)C 2230a_100000749238_200000216747 [0,1,0,1,0,0|2,0,0]=4 18488 B13R1.190 CSCCCOC1CC(OC1=O)C 34a_100000690336_200000216747 [0,1,0,1,0,0|2,0,0]=4 18489 B13R1.190 CSCCCOC1CC(OC1=O)C 7a_100000690336_200000216747 [0,1,0,1,0,0|2,0,0]=4 18490 B13R1.208 C#CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000038162 [0,1,0,1,0,0|0,0,2]=4 18491 B13R1.208 C=CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210623 [0,1,0,1,0,0|0,0,2]=4 18492 B13R1.208 C=CCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210623 [0,1,0,1,0,0|0,0,2]=4 18493 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 11a_100020646714_100000211992 [0,1,0,1,0,0|2,0,0]=4 18494 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 1626a_100020646714_100000211992 [0,1,0,1,0,0|2,0,0]=4 18495 B13R1.208 CCCC(=O)N1CCC[C@H]1COC 240690a_100020646714_100000211992 [0,1,0,1,0,0|2,0,0]=4 18496 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210303 [0,1,0,1,0,0|1,0,0]=3 18497 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210303 [0,1,0,1,0,0|1,0,0]=3 18498 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210303 [0,1,0,1,0,0|1,0,0]=3 18499 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [0,1,0,1,0,0|0,0,0]=2 18500 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [0,1,0,1,0,0|0,0,0]=2 18501 B13R1.208 CCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210303 [0,1,0,1,0,0|1,0,0]=3 18502 B13R1.208 CCNC(=O)N1CCC[C@H]1COC 2708a_100015525214_100020646714 [0,1,0,1,0,0|2,0,0]=4 18503 B13R1.208 CCNC(=O)N1CCC[C@H]1COC 273464a_100015525214_100020646714 [0,1,0,1,0,0|2,0,0]=4 18504 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCF 2230a_100020641767_100011217306 [0,1,0,1,0,0|2,0,0]=4 18505 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCF 269982a_100020641767_100011217306 [0,1,0,1,0,0|2,0,0]=4 18506 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCF 34a_100020641767_100011217306 [0,1,0,1,0,0|2,0,0]=4 18507 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCO 2230a_100020641767_100000211926 [0,1,0,1,0,0|2,0,0]=4 18508 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCO 269982a_100020641767_100000211926 [0,1,0,1,0,0|2,0,0]=4 18509 B13R1.208 CCNC(=O)[C@@H]1CCCN1CCO 34a_100020641767_100000211926 [0,1,0,1,0,0|2,0,0]=4 18510 B13R1.208 CCNC(=O)[C@@H]1CCCN1COC 2230a_100020641767_100000766300 [0,1,0,1,0,0|2,0,0]=4 18511 B13R1.208 CCNC(=O)[C@@H]1CCCN1COC 269982a_100020641767_100000766300 [0,1,0,1,0,0|2,0,0]=4 18512 B13R1.208 CCNC(=O)[C@@H]1CCCN1CSC 2230a_100020641767_100011218213 [0,1,0,1,0,0|2,0,0]=4 18513 B13R1.208 CCNC(=O)[C@@H]1CCCN1CSC 269982a_100020641767_100011218213 [0,1,0,1,0,0|2,0,0]=4 18514 B13R1.208 CCNC(=O)[C@@H]1CCCN1CSC 34a_100020641767_100011218213 [0,1,0,1,0,0|2,0,0]=4 18515 B13R1.208 CCOC(=O)[C@@H]1CCCN1CC#N 2230a_100000703725_100011215382 [0,1,0,1,0,0|1,0,1]=4 18516 B13R1.208 CCOC(=O)[C@@H]1CCCN1CC#N 269982a_100000703725_100011214920 [0,1,0,1,0,0|1,0,1]=4 18517 B13R1.208 CCOC(=O)[C@@H]1CCCN1CC=O 2230a_100000703725_200015260668 [0,1,0,1,0,0|1,0,1]=4 18518 B13R1.208 CCOC(=O)[C@@H]1CCCN1CC=O 269982a_100000703725_200015260668 [0,1,0,1,0,0|1,0,1]=4 18519 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 2230a_100000703725_100011217306 [0,1,0,1,0,0|1,0,0]=3 18520 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 269982a_100000703725_100011217306 [0,1,0,1,0,0|1,0,0]=3 18521 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 2230a_100000703725_100000211926 [0,1,0,1,0,0|1,0,0]=3 18522 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 269982a_100000703725_100000211926 [0,1,0,1,0,0|1,0,0]=3 18523 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 2230a_100000703725_100000766300 [0,1,0,1,0,0|1,0,0]=3 18524 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 269982a_100000703725_100000766300 [0,1,0,1,0,0|1,0,0]=3 18525 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 2230a_100000703725_100011218213 [0,1,0,1,0,0|1,0,0]=3 18526 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 269982a_100000703725_100011218213 [0,1,0,1,0,0|1,0,0]=3 18527 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [0,1,0,1,0,0|0,0,0]=2 18528 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCF 7a_200015395474_100015361967 [0,1,0,1,0,0|1,0,0]=3 18529 B13R1.208 CCOC(=O)[C@@H]1CSCN1CCF 269982a_100016989239_100011217306 [0,1,0,1,0,0|2,0,0]=4 18530 B13R1.208 CCOC(=O)[C@@H]1CSCN1CCO 269982a_100016989239_100000211926 [0,1,0,1,0,0|2,0,0]=4 18531 B13R1.208 CCOC(=O)[C@@H]1CSCN1COC 269982a_100016989239_100000766300 [0,1,0,1,0,0|2,0,0]=4 18532 B13R1.208 CCOC(=O)[C@@H]1CSCN1CSC 269982a_100016989239_100011218213 [0,1,0,1,0,0|2,0,0]=4 18533 B13R1.223 CCCC(=O)CN1CCC1COC 2230a_100015195929_100000747444 [0,1,0,1,0,0|2,0,0]=4 18534 B13R1.223 CCCC(=O)CN1CCC1COC 269982a_100015195929_100000747444 [0,1,0,1,0,0|2,0,0]=4 18535 B13R1.223 CCNC(=O)CN1CCC1COC 2230a_100015195929_100000183381 [0,1,0,1,0,0|2,0,0]=4 18536 B13R1.223 CCNC(=O)CN1CCC1COC 269982a_100015195929_100000183381 [0,1,0,1,0,0|2,0,0]=4 18537 B13R1.223 CCNC(=O)CN1CCC1COC 34a_100015195929_100000183381 [0,1,0,1,0,0|2,0,0]=4 18538 B13R1.223 CCOC(=O)CN1CCC1COC 2230a_100015195929_100000188475 [0,1,0,1,0,0|1,0,0]=3 18539 B13R1.223 CCOC(=O)CN1CCC1COC 269982a_100015195929_100000188475 [0,1,0,1,0,0|1,0,0]=3 18540 B13R1.223 CCOC(=O)CN1CCC1COC 34a_100015195929_100000188475 [0,1,0,1,0,0|1,0,0]=3 18541 B13R1.369 CCCNCC1CCC(=CC1C)C 269862a_100020643023_100000075207 [0,1,0,1,0,0|2,0,0]=4 18542 B13R1.404 C=COC(=O)CNCC1CCCC1 2230a_100000737975_100000036128 [0,1,0,1,0,0|0,0,2]=4 18543 B13R1.404 C=COC(=O)CNCC1CCCC1 34a_100000737975_100000036128 [0,1,0,1,0,0|0,0,2]=4 18544 B13R1.404 C=COC(=O)COCC1CCCC1 34a_100000742336_100000036128 [0,1,0,1,0,0|0,0,2]=4 18545 B13R1.404 C=COC(=O)CSCC1CCCC1 62a_100000036128_100000740388 [0,1,0,1,0,0|0,0,2]=4 18546 B13R1.404 C=COC(=O)CSCC1CCCC1 62a_100000740388_100000036128 [0,1,0,1,0,0|0,0,2]=4 18547 B13R1.404 CC#CC(=O)CCCC1CCCC1 1458a_100000763181_100011713738 [0,1,0,1,0,0|1,0,1]=4 18548 B13R1.404 CC#CC(=O)CCCN1CCCC1 1458a_100000763181_100011445909 [0,1,0,1,0,0|1,0,1]=4 18549 B13R1.404 CC=CC(=O)CCCC1CCCC1 1458a_100000210699_100011713738 [0,1,0,1,0,0|1,0,1]=4 18550 B13R1.404 CC=CC(=O)CCCN1CCCC1 1458a_100000210699_100011445909 [0,1,0,1,0,0|1,0,1]=4 18551 B13R1.404 CC=CC(=O)NCCC1CCCC1 11a_100000739158_100000210699 [0,1,0,1,0,0|1,0,1]=4 18552 B13R1.404 CC=CC(=O)NCCC1CCCC1 1626a_100000739158_100000210699 [0,1,0,1,0,0|1,0,1]=4 18553 B13R1.404 CC=CC(=O)NCCC1CCCC1 240690a_100000739158_100000210699 [0,1,0,1,0,0|1,0,1]=4 18554 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [0,1,0,1,0,0|1,0,0]=3 18555 B13R1.404 CCCC(=O)CCCC1OCCO1 1458a_100000211992_100000042513 [0,1,0,1,0,0|2,0,0]=4 18556 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000211992_100011445909 [0,1,0,1,0,0|1,0,0]=3 18557 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000743284_100000210303 [0,1,0,1,0,0|1,0,0]=3 18558 B13R1.404 CCCC(=O)CNCC1CCCC1 2230a_100000737975_100000747444 [0,1,0,1,0,0|1,0,0]=3 18559 B13R1.404 CCCC(=O)CNCC1CCOC1 2230a_100000737293_100000747444 [0,1,0,1,0,0|2,0,0]=4 18560 B13R1.404 CCCC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000747444 [0,1,0,1,0,0|2,0,0]=4 18561 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [0,1,0,1,0,0|1,0,0]=3 18562 B13R1.404 CCCC(=O)COCC1CCCO1 1458a_100011223388_100000210303 [0,1,0,1,0,0|2,0,0]=4 18563 B13R1.404 CCCC(=O)COCC1CCCO1 7a_100000210270_100000747444 [0,1,0,1,0,0|2,0,0]=4 18564 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000740388_100000747444 [0,1,0,1,0,0|1,0,0]=3 18565 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000747444_100000740388 [0,1,0,1,0,0|1,0,0]=3 18566 B13R1.404 CCCC(=O)CSCC1CCCO1 1458a_100000217298_100000210303 [0,1,0,1,0,0|2,0,0]=4 18567 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000203698_100000747444 [0,1,0,1,0,0|2,0,0]=4 18568 B13R1.404 CCCC(=O)CSCC1CCCO1 62a_100000747444_100000203698 [0,1,0,1,0,0|2,0,0]=4 18569 B13R1.404 CCCC(=O)CSCC1CCOC1 62a_100000702531_100000747444 [0,1,0,1,0,0|2,0,0]=4 18570 B13R1.404 CCCC(=O)CSCC1CCOC1 62a_100000747444_100000702531 [0,1,0,1,0,0|2,0,0]=4 18571 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [0,1,0,1,0,0|1,0,0]=3 18572 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [0,1,0,1,0,0|1,0,0]=3 18573 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [0,1,0,1,0,0|1,0,0]=3 18574 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [0,1,0,1,0,0|1,0,0]=3 18575 B13R1.404 CCCC(=O)NCCN1CCCC1 240690a_100000212299_100000211992 [0,1,0,1,0,0|2,0,0]=4 18576 B13R1.404 CCCC(=O)OCNC1CCCC1 2230a_100000211070_100000034017 [0,1,0,1,0,0|2,0,0]=4 18577 B13R1.404 CCCC(=O)OCNC1CCCC1 34a_100000211070_100000034017 [0,1,0,1,0,0|2,0,0]=4 18578 B13R1.404 CCCC(=O)OCOC1CCCC1 34a_100000210269_100000034017 [0,1,0,1,0,0|2,0,0]=4 18579 B13R1.404 CCCC(=O)OCSC1CCCC1 62a_100011217020_100000034017 [0,1,0,1,0,0|2,0,0]=4 18580 B13R1.404 CCNC(=O)CCCN1CCCC1 240690a_100015525214_100000743284 [0,1,0,1,0,0|1,0,0]=3 18581 B13R1.404 CCNC(=O)CCNC1CCCC1 2230a_100000211070_100000737597 [0,1,0,1,0,0|1,0,0]=3 18582 B13R1.404 CCNC(=O)CCNC1CCCC1 270004a_100025743525_100000210133 [0,1,0,1,0,0|1,0,0]=3 18583 B13R1.404 CCNC(=O)CCNC1CCCC1 34a_100025743525_100000179811 [0,1,0,1,0,0|1,0,0]=3 18584 B13R1.404 CCNC(=O)CCNC1CCOC1 270004a_100025743525_100000752484 [0,1,0,1,0,0|2,0,0]=4 18585 B13R1.404 CCNC(=O)CCNC1CCOC1 34a_100025743525_100000690089 [0,1,0,1,0,0|2,0,0]=4 18586 B13R1.404 CCNC(=O)CCNC1CCSC1 270004a_100025743525_100000212027 [0,1,0,1,0,0|2,0,0]=4 18587 B13R1.404 CCNC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100000737597 [0,1,0,1,0,0|2,0,0]=4 18588 B13R1.404 CCNC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100000737597 [0,1,0,1,0,0|2,0,0]=4 18589 B13R1.404 CCNC(=O)CCOC1CCCC1 7a_100000210269_100000737597 [0,1,0,1,0,0|1,0,0]=3 18590 B13R1.404 CCNC(=O)CCOC1CCSC1 7a_100011232664_100000737597 [0,1,0,1,0,0|2,0,0]=4 18591 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100000737597_100000179811 [0,1,0,1,0,0|1,0,0]=3 18592 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100011217020_100000737597 [0,1,0,1,0,0|1,0,0]=3 18593 B13R1.404 CCNC(=O)CCSC1CCOC1 62a_100000737597_100000690089 [0,1,0,1,0,0|2,0,0]=4 18594 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100000737975_100000183381 [0,1,0,1,0,0|1,0,0]=3 18595 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100016988866_100000740388 [0,1,0,1,0,0|1,0,0]=3 18596 B13R1.404 CCNC(=O)CNCC1CCCC1 34a_100000737975_100000183381 [0,1,0,1,0,0|1,0,0]=3 18597 B13R1.404 CCNC(=O)CNCC1CCCO1 2230a_100016988866_100000203698 [0,1,0,1,0,0|2,0,0]=4 18598 B13R1.404 CCNC(=O)CNCC1CCOC1 2230a_100000737293_100000183381 [0,1,0,1,0,0|2,0,0]=4 18599 B13R1.404 CCNC(=O)CNCC1CCOC1 2230a_100016988866_100000702531 [0,1,0,1,0,0|2,0,0]=4 18600 B13R1.404 CCNC(=O)CNCC1CCOC1 34a_100000737293_100000183381 [0,1,0,1,0,0|2,0,0]=4 18601 B13R1.404 CCNC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000183381 [0,1,0,1,0,0|2,0,0]=4 18602 B13R1.404 CCNC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000183381 [0,1,0,1,0,0|2,0,0]=4 18603 B13R1.404 CCNC(=O)COCC1CCCC1 34a_100000742336_100000183381 [0,1,0,1,0,0|1,0,0]=3 18604 B13R1.404 CCNC(=O)COCC1CCCC1 7a_100000742336_100000183381 [0,1,0,1,0,0|1,0,0]=3 18605 B13R1.404 CCNC(=O)COCC1CCCO1 11a_100015525214_100011223388 [0,1,0,1,0,0|2,0,0]=4 18606 B13R1.404 CCNC(=O)COCC1CCCO1 240690a_100015525214_100011223388 [0,1,0,1,0,0|2,0,0]=4 18607 B13R1.404 CCNC(=O)COCC1CCCO1 34a_100000210270_100000183381 [0,1,0,1,0,0|2,0,0]=4 18608 B13R1.404 CCNC(=O)COCC1CCCO1 527a_100015525214_100011223388 [0,1,0,1,0,0|2,0,0]=4 18609 B13R1.404 CCNC(=O)COCC1CCCO1 7a_100000210270_100000183381 [0,1,0,1,0,0|2,0,0]=4 18610 B13R1.404 CCNC(=O)COCC1CCNC1 34a_100000748654_100000183381 [0,1,0,1,0,0|2,0,0]=4 18611 B13R1.404 CCNC(=O)COCC1CCOC1 34a_100000740260_100000183381 [0,1,0,1,0,0|2,0,0]=4 18612 B13R1.404 CCNC(=O)COC[C@H]1CCCN1 34a_100000745186_100000183381 [0,1,0,1,0,0|2,0,0]=4 18613 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000183381_100000740388 [0,1,0,1,0,0|1,0,0]=3 18614 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000740388_100000183381 [0,1,0,1,0,0|1,0,0]=3 18615 B13R1.404 CCNC(=O)CSCC1CCCO1 11a_100015525214_100000217298 [0,1,0,1,0,0|2,0,0]=4 18616 B13R1.404 CCNC(=O)CSCC1CCCO1 240690a_100015525214_100000217298 [0,1,0,1,0,0|2,0,0]=4 18617 B13R1.404 CCNC(=O)CSCC1CCCO1 527a_100015525214_100000217298 [0,1,0,1,0,0|2,0,0]=4 18618 B13R1.404 CCNC(=O)CSCC1CCCO1 62a_100000183381_100000203698 [0,1,0,1,0,0|2,0,0]=4 18619 B13R1.404 CCNC(=O)CSCC1CCCO1 62a_100000203698_100000183381 [0,1,0,1,0,0|2,0,0]=4 18620 B13R1.404 CCNC(=O)CSCC1CCOC1 62a_100000183381_100000702531 [0,1,0,1,0,0|2,0,0]=4 18621 B13R1.404 CCNC(=O)CSCC1CCOC1 62a_100000702531_100000183381 [0,1,0,1,0,0|2,0,0]=4 18622 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [0,1,0,1,0,0|1,0,0]=3 18623 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [0,1,0,1,0,0|1,0,0]=3 18624 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [0,1,0,1,0,0|1,0,0]=3 18625 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [0,1,0,1,0,0|1,0,0]=3 18626 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [0,1,0,1,0,0|1,0,0]=3 18627 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [0,1,0,1,0,0|1,0,0]=3 18628 B13R1.404 CCNC(=O)NCCN1CCCC1 2708a_100015525214_100000212299 [0,1,0,1,0,0|2,0,0]=4 18629 B13R1.404 CCNC(=O)NCCN1CCCC1 273464a_100000212299_100015525214 [0,1,0,1,0,0|2,0,0]=4 18630 B13R1.404 CCNC(=O)NCCN1CCCC1 273464a_100015525214_100000212299 [0,1,0,1,0,0|2,0,0]=4 18631 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 2230a_100000188435_100016267167 [0,1,0,1,0,0|0,0,2]=4 18632 B13R1.404 CCOC(=O)/C=C/CN1CCCC1 269982a_100000188435_100016267167 [0,1,0,1,0,0|0,0,2]=4 18633 B13R1.404 CCOC(=O)C=NNC1CCCC1 4a_100000737850_100000742314 [0,1,0,1,0,0|1,0,1]=4 18634 B13R1.404 CCOC(=O)CCCN1CC=CC1 269982a_100015195280_100009991533 [0,1,0,1,0,0|0,0,2]=4 18635 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [0,1,0,1,0,0|0,0,0]=2 18636 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [0,1,0,1,0,0|0,0,0]=2 18637 B13R1.404 CCOC(=O)CCCN1CCSC1 2230a_100011215254_100009991533 [0,1,0,1,0,0|1,0,0]=3 18638 B13R1.404 CCOC(=O)CCCN1CCSC1 269982a_100011215254_100009991533 [0,1,0,1,0,0|1,0,0]=3 18639 B13R1.404 CCOC(=O)CCNC1CC=CC1 2230a_100015188752_100011206558 [0,1,0,1,0,0|0,0,2]=4 18640 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [0,1,0,1,0,0|0,0,0]=2 18641 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [0,1,0,1,0,0|0,0,0]=2 18642 B13R1.404 CCOC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100011206558 [0,1,0,1,0,0|1,0,0]=3 18643 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100011206558 [0,1,0,1,0,0|1,0,0]=3 18644 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000765890 [0,1,0,1,0,0|1,0,0]=3 18645 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [0,1,0,1,0,0|0,0,0]=2 18646 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [0,1,0,1,0,0|0,0,0]=2 18647 B13R1.404 CCOC(=O)CCOC1CCCO1 34a_100000085407_100000765890 [0,1,0,1,0,0|1,0,0]=3 18648 B13R1.404 CCOC(=O)CCOC1CCSC1 7a_100011232664_100011206558 [0,1,0,1,0,0|1,0,0]=3 18649 B13R1.404 CCOC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000765890 [0,1,0,1,0,0|1,0,0]=3 18650 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [0,1,0,1,0,0|0,0,0]=2 18651 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [0,1,0,1,0,0|0,0,0]=2 18652 B13R1.404 CCOC(=O)CCSC1CCOC1 62a_100000765890_100000690089 [0,1,0,1,0,0|1,0,0]=3 18653 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [0,1,0,1,0,0|0,0,0]=2 18654 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [0,1,0,1,0,0|0,0,0]=2 18655 B13R1.404 CCOC(=O)CNCC1CCOC1 2230a_100000737293_100000188475 [0,1,0,1,0,0|1,0,0]=3 18656 B13R1.404 CCOC(=O)CNCC1CCOC1 34a_100000737293_100000188475 [0,1,0,1,0,0|1,0,0]=3 18657 B13R1.404 CCOC(=O)CNCC1OCCO1 2230a_100000036311_100000188475 [0,1,0,1,0,0|2,0,0]=4 18658 B13R1.404 CCOC(=O)CNCC1OCCO1 34a_100000036311_100000188475 [0,1,0,1,0,0|2,0,0]=4 18659 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000188475 [0,1,0,1,0,0|1,0,0]=3 18660 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000188475 [0,1,0,1,0,0|1,0,0]=3 18661 B13R1.404 CCOC(=O)COCC1CC=CC1 34a_100000688395_100000188475 [0,1,0,1,0,0|0,0,2]=4 18662 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [0,1,0,1,0,0|0,0,0]=2 18663 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [0,1,0,1,0,0|0,0,0]=2 18664 B13R1.404 CCOC(=O)COCC1CCCO1 34a_100000210270_100000188475 [0,1,0,1,0,0|1,0,0]=3 18665 B13R1.404 CCOC(=O)COCC1CCCO1 7a_100000210270_100000188475 [0,1,0,1,0,0|1,0,0]=3 18666 B13R1.404 CCOC(=O)COCC1CCNC1 34a_100000748654_100000188475 [0,1,0,1,0,0|1,0,0]=3 18667 B13R1.404 CCOC(=O)COCC1CCOC1 34a_100000740260_100000188475 [0,1,0,1,0,0|1,0,0]=3 18668 B13R1.404 CCOC(=O)COCC1COCO1 34a_100011216627_100000188475 [0,1,0,1,0,0|2,0,0]=4 18669 B13R1.404 CCOC(=O)COCC1OCCO1 34a_100000087154_100000188475 [0,1,0,1,0,0|2,0,0]=4 18670 B13R1.404 CCOC(=O)COC[C@H]1CCCN1 34a_100000745186_100000188475 [0,1,0,1,0,0|1,0,0]=3 18671 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [0,1,0,1,0,0|0,0,0]=2 18672 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [0,1,0,1,0,0|0,0,0]=2 18673 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000188475_100000203698 [0,1,0,1,0,0|1,0,0]=3 18674 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000203698_100000188475 [0,1,0,1,0,0|1,0,0]=3 18675 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000188475_100000702531 [0,1,0,1,0,0|1,0,0]=3 18676 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000702531_100000188475 [0,1,0,1,0,0|1,0,0]=3 18677 B13R1.404 CCOC(=O)CSCC1OCCO1 62a_100000188475_100000755774 [0,1,0,1,0,0|2,0,0]=4 18678 B13R1.404 CCOC(=O)CSCC1OCCO1 62a_100000755774_100000188475 [0,1,0,1,0,0|2,0,0]=4 18679 B13R1.404 CCOC(=O)NCCN1CCCC1 269982a_100000188435_200011445536 [0,1,0,1,0,0|1,0,0]=3 18680 B13R1.404 CCOC(=O)NCCN1CCSC1 269982a_100011215254_200011445536 [0,1,0,1,0,0|2,0,0]=4 18681 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [0,1,0,1,0,0|1,0,0]=3 18682 B13R1.404 CNNC(=O)CCCN1CCCC1 22a_100016993582_100000743284 [0,1,0,1,0,0|2,0,0]=4 18683 B13R1.404 CNNC(=O)NCCC1CCCC1 273464a_100000739158_100016993582 [0,1,0,1,0,0|2,0,0]=4 18684 B13R1.404 CNNC(=O)NCCC1CCCC1 512a_100000739158_100016993582 [0,1,0,1,0,0|2,0,0]=4 18685 B13R1.404 CNNC(=O)NCCC1CCCC1 512a_100016993582_100000739158 [0,1,0,1,0,0|2,0,0]=4 18686 B13R1.404 COCC(=O)CCCC1CCCC1 1458a_100000210968_100011713738 [0,1,0,1,0,0|2,0,0]=4 18687 B13R1.404 COCC(=O)CCCN1CCCC1 1458a_100000210968_100011445909 [0,1,0,1,0,0|2,0,0]=4 18688 B13R1.404 COCC(=O)NCCC1CCCC1 11a_100000739158_100000210968 [0,1,0,1,0,0|2,0,0]=4 18689 B13R1.404 COCC(=O)NCCC1CCCC1 1626a_100000739158_100000210968 [0,1,0,1,0,0|2,0,0]=4 18690 B13R1.404 COCC(=O)NCCC1CCCC1 240690a_100000739158_100000210968 [0,1,0,1,0,0|2,0,0]=4 18691 B13R1.404 COCC(=O)NCCC1CCCC1 527a_100000739158_100000210968 [0,1,0,1,0,0|2,0,0]=4 18692 B13R1.404 CSCC(=O)CCCC1CCCC1 1458a_100000184570_100011713738 [0,1,0,1,0,0|2,0,0]=4 18693 B13R1.404 CSCC(=O)CCCN1CCCC1 1458a_100000184570_100011445909 [0,1,0,1,0,0|2,0,0]=4 18694 B13R1.404 CSCC(=O)NCCC1CCCC1 11a_100000739158_100000184570 [0,1,0,1,0,0|2,0,0]=4 18695 B13R1.404 CSCC(=O)NCCC1CCCC1 1626a_100000739158_100000184570 [0,1,0,1,0,0|2,0,0]=4 18696 B13R1.404 CSCC(=O)NCCC1CCCC1 240690a_100000739158_100000184570 [0,1,0,1,0,0|2,0,0]=4 18697 B13R1.404 CSCC(=O)NCCC1CCCC1 527a_100000739158_100000184570 [0,1,0,1,0,0|2,0,0]=4 18698 B13R1.404 O=C(CCF)CCCN1CCCC1 1458a_100000743284_100011217306 [0,1,0,1,0,0|2,0,0]=4 18699 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [0,1,0,1,0,0|2,0,0]=4 18700 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100000743284_100000211926 [0,1,0,1,0,0|2,0,0]=4 18701 B13R1.404 O=C(CCO)CCCN1CCCC1 1458a_100011216618_100011445909 [0,1,0,1,0,0|2,0,0]=4 18702 B13R1.404 O=C(CCO)NCCC1CCCC1 240690a_100000739158_100011216618 [0,1,0,1,0,0|2,0,0]=4 18703 B13R1.404 O=C(CNCC1CCCC1)NCO 2230a_100000737975_100000185155 [0,1,0,1,0,0|2,0,0]=4 18704 B13R1.404 O=C(CNCC1CCCC1)NCO 34a_100000737975_100000185155 [0,1,0,1,0,0|2,0,0]=4 18705 B13R1.404 O=C(COCC1CCCC1)NCO 34a_100000742336_100000185155 [0,1,0,1,0,0|2,0,0]=4 18706 B13R1.404 O=C(COCC1CCCC1)NCO 7a_100000742336_100000185155 [0,1,0,1,0,0|2,0,0]=4 18707 B13R1.404 O=C(CSCC1CCCC1)NCO 62a_100000185155_100000740388 [0,1,0,1,0,0|2,0,0]=4 18708 B13R1.404 O=C(CSCC1CCCC1)NCO 62a_100000740388_100000185155 [0,1,0,1,0,0|2,0,0]=4 18709 B13R1.443 C=COC(=O)CN1CCCC1CC 2230a_100000754278_100000036128 [0,1,0,1,0,0|0,0,2]=4 18710 B13R1.443 C=COC(=O)CN1CCCC1CC 269982a_100000754278_100000036128 [0,1,0,1,0,0|0,0,2]=4 18711 B13R1.443 C=COC(=O)CN1CCCC1CC 34a_100000754278_100000036128 [0,1,0,1,0,0|0,0,2]=4 18712 B13R1.443 CCC1CCCN1CC(=O)NCO 2230a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 18713 B13R1.443 CCC1CCCN1CC(=O)NCO 269982a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 18714 B13R1.443 CCC1CCCN1CC(=O)NCO 34a_100000754278_100000185155 [0,1,0,1,0,0|2,0,0]=4 18715 B13R1.443 CCCC(=O)CN1CCCC1CC 2230a_100000754278_100000747444 [0,1,0,1,0,0|1,0,0]=3 18716 B13R1.443 CCCC(=O)CN1CCCC1CC 269982a_100000754278_100000747444 [0,1,0,1,0,0|1,0,0]=3 18717 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747444 [0,1,0,1,0,0|2,0,0]=4 18718 B13R1.443 CCCC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000747444 [0,1,0,1,0,0|2,0,0]=4 18719 B13R1.443 CCNC(=O)CN1CCCC1CC 2230a_100000754278_100000183381 [0,1,0,1,0,0|1,0,0]=3 18720 B13R1.443 CCNC(=O)CN1CCCC1CC 269982a_100000754278_100000183381 [0,1,0,1,0,0|1,0,0]=3 18721 B13R1.443 CCNC(=O)CN1CCCC1CC 34a_100000754278_100000183381 [0,1,0,1,0,0|1,0,0]=3 18722 B13R1.443 CCNC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000183381 [0,1,0,1,0,0|2,0,0]=4 18723 B13R1.443 CCNC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000183381 [0,1,0,1,0,0|2,0,0]=4 18724 B13R1.443 CCNC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000183381 [0,1,0,1,0,0|2,0,0]=4 18725 B13R1.443 CCOC(=O)CN1CC=CC1CC 2230a_100000730860_100000188475 [0,1,0,1,0,0|0,0,2]=4 18726 B13R1.443 CCOC(=O)CN1CC=CC1CC 269982a_100000730860_100000188475 [0,1,0,1,0,0|0,0,2]=4 18727 B13R1.443 CCOC(=O)CN1CC=CC1CC 34a_100000730860_100000188475 [0,1,0,1,0,0|0,0,2]=4 18728 B13R1.443 CCOC(=O)CN1CCCC1C#N 2230a_100000701862_100000188475 [0,1,0,1,0,0|1,0,1]=4 18729 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [0,1,0,1,0,0|0,0,0]=2 18730 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [0,1,0,1,0,0|0,0,0]=2 18731 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [0,1,0,1,0,0|0,0,0]=2 18732 B13R1.443 CCOC(=O)CN1CCC[C@@H]1C#N 2230a_106645074975_100000188475 [0,1,0,1,0,0|1,0,1]=4 18733 B13R1.443 CCOC(=O)CN1CCC[C@@H]1C#N 269982a_106645074975_100000188475 [0,1,0,1,0,0|1,0,1]=4 18734 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000188475 [0,1,0,1,0,0|1,0,0]=3 18735 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000188475 [0,1,0,1,0,0|1,0,0]=3 18736 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000188475 [0,1,0,1,0,0|1,0,0]=3 18737 B13R1.444 C=COC(=O)COC1CCCC1C 34a_100011216460_100000036128 [0,1,0,1,0,0|0,0,2]=4 18738 B13R1.444 CC#CC(=O)CCC1CCCN1C 1458a_100000763181_100000005710 [0,1,0,1,0,0|1,0,1]=4 18739 B13R1.444 CC(CCN)COC1CCOC1=O 34a_106354213184_100000211211 [0,1,0,1,0,0|2,0,0]=4 18740 B13R1.444 CC1CCCC1OCC(=O)NCO 34a_100011216460_100000185155 [0,1,0,1,0,0|2,0,0]=4 18741 B13R1.444 CC1CCCC1OCC(=O)NCO 7a_100011216460_100000185155 [0,1,0,1,0,0|2,0,0]=4 18742 B13R1.444 CC=CC(=O)CCC1CCCN1C 1458a_100000210699_100000005710 [0,1,0,1,0,0|1,0,1]=4 18743 B13R1.444 CCCC(=O)CCC1CCCN1C 1458a_100000211992_100000005710 [0,1,0,1,0,0|1,0,0]=3 18744 B13R1.444 CCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210303 [0,1,0,1,0,0|0,0,1]=3 18745 B13R1.444 CCCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210303 [0,1,0,1,0,0|1,0,1]=4 18746 B13R1.444 CCCC(=O)COC1CCCC1C 7a_100011216460_100000747444 [0,1,0,1,0,0|1,0,0]=3 18747 B13R1.444 CCCC(=O)CSC1CCOC1=O 62a_100000211211_100000747444 [0,1,0,1,0,0|1,0,1]=4 18748 B13R1.444 CCCC(=O)CSC1CCOC1=O 62a_100000747444_100000211211 [0,1,0,1,0,0|1,0,1]=4 18749 B13R1.444 CCCC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000747444_200016002552 [0,1,0,1,0,0|2,0,0]=4 18750 B13R1.444 CCCC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000747444 [0,1,0,1,0,0|2,0,0]=4 18751 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 240690a_100009821018_100000211992 [0,1,0,1,0,0|2,0,0]=4 18752 B13R1.444 CCCC(=O)NC[C@@H]1CCCN1C 527a_100009821018_100000211992 [0,1,0,1,0,0|2,0,0]=4 18753 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 2230a_100020605311_100000034017 [0,1,0,1,0,0|2,0,0]=4 18754 B13R1.444 CCCC(=O)OCN1CCC[C@@H]1C 269982a_100020605311_100000034017 [0,1,0,1,0,0|2,0,0]=4 18755 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 2230a_100015189458_100000034017 [0,1,0,1,0,0|2,0,0]=4 18756 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 269982a_100015189458_100000034017 [0,1,0,1,0,0|2,0,0]=4 18757 B13R1.444 CCCC(=O)OCN1CCC[C@H]1C 34a_100015189458_100000034017 [0,1,0,1,0,0|2,0,0]=4 18758 B13R1.444 CCCC(C)CNC1CCNC1=O 2230a_100016995588_100011216630 [0,1,0,1,0,0|2,0,0]=4 18759 B13R1.444 CCCC(C)CNC1CCNC1=O 270004a_100016995588_100000243154 [0,1,0,1,0,0|2,0,0]=4 18760 B13R1.444 CCCC(C)CNC1CCNC1=O 34a_100016995588_100011216630 [0,1,0,1,0,0|2,0,0]=4 18761 B13R1.444 CCCC(C)COC1CCCC1=O 34a_100000688023_100000709159 [0,1,0,1,0,0|2,0,0]=4 18762 B13R1.444 CCCC(C)COC1CCCC1=O 34a_200000719330_100011216630 [0,1,0,1,0,0|2,0,0]=4 18763 B13R1.444 CCCC(C)COC1CCCC1=O 7a_100000688023_100000211823 [0,1,0,1,0,0|2,0,0]=4 18764 B13R1.444 CCCC(C)COC1CCOC1=O 34a_100000688023_100000211211 [0,1,0,1,0,0|1,0,0]=3 18765 B13R1.444 CCCC(C)COC1CCOC1=O 7a_100000688023_100000211211 [0,1,0,1,0,0|1,0,0]=3 18766 B13R1.444 CCCC(C)CO[C@H]1CCNC1=O 34a_100000688343_100011216630 [0,1,0,1,0,0|2,0,0]=4 18767 B13R1.444 CCCC(C)CSC1CCCC1=O 62a_100000211823_100011216630 [0,1,0,1,0,0|2,0,0]=4 18768 B13R1.444 CCCC(C)CSC1CCCC1=O 62a_100011216630_100000211823 [0,1,0,1,0,0|2,0,0]=4 18769 B13R1.444 CCCC(C)CSC1CCOC1=O 62a_100000211211_100011216630 [0,1,0,1,0,0|1,0,0]=3 18770 B13R1.444 CCCC(C)CSC1CCOC1=O 62a_100011216630_100000211211 [0,1,0,1,0,0|1,0,0]=3 18771 B13R1.444 CCCC(C)OCC1CCNC1=O 34a_100000133458_100000766640 [0,1,0,1,0,0|2,0,0]=4 18772 B13R1.444 CCC[C@H](N)COC1CCCC1=O 34a_100000732646_100000709159 [0,1,0,1,0,0|2,0,0]=4 18773 B13R1.444 CCC[C@H](N)COC1CCOC1=O 34a_100000732646_100000211211 [0,1,0,1,0,0|1,0,0]=3 18774 B13R1.444 CCNC(=O)CCC1CCOC1=O 11a_100015525214_100000117037 [0,1,0,1,0,0|1,0,1]=4 18775 B13R1.444 CCNC(=O)CCC1CCOC1=O 240690a_100015525214_100000117037 [0,1,0,1,0,0|1,0,1]=4 18776 B13R1.444 CCNC(=O)CCC1CCOC1=O 527a_100015525214_100000117037 [0,1,0,1,0,0|1,0,1]=4 18777 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737597 [0,1,0,1,0,0|1,0,0]=3 18778 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737597 [0,1,0,1,0,0|1,0,0]=3 18779 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737597 [0,1,0,1,0,0|1,0,0]=3 18780 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737597 [0,1,0,1,0,0|1,0,0]=3 18781 B13R1.444 CCNC(=O)CCN1CCSC1C 2230a_200011216479_100000737597 [0,1,0,1,0,0|2,0,0]=4 18782 B13R1.444 CCNC(=O)CCN1CCSC1C 269982a_200011216479_100000737597 [0,1,0,1,0,0|2,0,0]=4 18783 B13R1.444 CCNC(=O)CNC1CCOC1C 270004a_100016988866_100000691750 [0,1,0,1,0,0|2,0,0]=4 18784 B13R1.444 CCNC(=O)COC1CCCC1C 34a_100011216460_100000183381 [0,1,0,1,0,0|1,0,0]=3 18785 B13R1.444 CCNC(=O)COC1CCCC1C 7a_100011216460_100000183381 [0,1,0,1,0,0|1,0,0]=3 18786 B13R1.444 CCNC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000183381 [0,1,0,1,0,0|2,0,0]=4 18787 B13R1.444 CCNC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000183381 [0,1,0,1,0,0|2,0,0]=4 18788 B13R1.444 CCNC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000183381 [0,1,0,1,0,0|2,0,0]=4 18789 B13R1.444 CCNC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000183381_200016002552 [0,1,0,1,0,0|2,0,0]=4 18790 B13R1.444 CCNC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000183381 [0,1,0,1,0,0|2,0,0]=4 18791 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 2708a_100009821018_100015525214 [0,1,0,1,0,0|2,0,0]=4 18792 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 2708a_100015525214_100009821018 [0,1,0,1,0,0|2,0,0]=4 18793 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 273464a_100009821018_100015525214 [0,1,0,1,0,0|2,0,0]=4 18794 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 273464a_100015525214_100009821018 [0,1,0,1,0,0|2,0,0]=4 18795 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 512a_100009821018_100015525214 [0,1,0,1,0,0|2,0,0]=4 18796 B13R1.444 CCNC(=O)NC[C@@H]1CCCN1C 512a_100015525214_100009821018 [0,1,0,1,0,0|2,0,0]=4 18797 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [0,1,0,1,0,0|0,0,0]=2 18798 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [0,1,0,1,0,0|0,0,0]=2 18799 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [0,1,0,1,0,0|0,0,0]=2 18800 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [0,1,0,1,0,0|0,0,0]=2 18801 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [0,1,0,1,0,0|0,0,0]=2 18802 B13R1.444 CCOC(=O)CCN1CCSC1C 2230a_200011216479_100011206558 [0,1,0,1,0,0|1,0,0]=3 18803 B13R1.444 CCOC(=O)CCN1CCSC1C 269982a_200011216479_100011206558 [0,1,0,1,0,0|1,0,0]=3 18804 B13R1.444 CCOC(=O)CCN1CCSC1C 34a_200011216479_100000765890 [0,1,0,1,0,0|1,0,0]=3 18805 B13R1.444 CCOC(=O)CN[C@H]1COC[C@@H]1O 2230a_100015191717_100000188475 [0,1,0,1,0,0|2,0,0]=4 18806 B13R1.444 CCOC(=O)COC1CCCC1=O 34a_200000719330_100000188475 [0,1,0,1,0,0|1,0,1]=4 18807 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [0,1,0,1,0,0|0,0,0]=2 18808 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [0,1,0,1,0,0|0,0,0]=2 18809 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000188475 [0,1,0,1,0,0|1,0,0]=3 18810 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000188475 [0,1,0,1,0,0|1,0,0]=3 18811 B13R1.444 CCOC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000188475 [0,1,0,1,0,0|1,0,0]=3 18812 B13R1.444 CCOC(=O)CO[C@H]1COC[C@@H]1N 34a_100015191717_100000188475 [0,1,0,1,0,0|2,0,0]=4 18813 B13R1.444 CCOC(=O)CSC1CCCC1=O 62a_100000188475_100000211823 [0,1,0,1,0,0|1,0,1]=4 18814 B13R1.444 CCOC(=O)CSC1CCCC1=O 62a_100000211823_100000188475 [0,1,0,1,0,0|1,0,1]=4 18815 B13R1.444 CCOC(=O)CSC1COCC1O 62a_100000188475_200000725654 [0,1,0,1,0,0|2,0,0]=4 18816 B13R1.444 CCOC(=O)CSC1COCC1O 62a_200000725654_100000188475 [0,1,0,1,0,0|2,0,0]=4 18817 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000188475_200016002552 [0,1,0,1,0,0|1,0,0]=3 18818 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000188475 [0,1,0,1,0,0|1,0,0]=3 18819 B13R1.444 CN1CCCC1CCC(=O)CCO 1458a_100011216618_100000005710 [0,1,0,1,0,0|2,0,0]=4 18820 B13R1.444 COCC(=O)CCC1CCCN1C 1458a_100000210968_100000005710 [0,1,0,1,0,0|2,0,0]=4 18821 B13R1.444 COCC(N)COC1CCOC1=O 34a_100000724102_100000211211 [0,1,0,1,0,0|2,0,0]=4 18822 B13R1.444 COCC(O)CNC1CCOC1=O 2230a_100000756049_100000211211 [0,1,0,1,0,0|2,0,0]=4 18823 B13R1.444 COCC(O)CNC1CCOC1=O 34a_100000756049_100000211211 [0,1,0,1,0,0|2,0,0]=4 18824 B13R1.444 COCC(O)CSC1CCOC1=O 62a_100000211211_100011215053 [0,1,0,1,0,0|2,0,0]=4 18825 B13R1.444 COCC(O)CSC1CCOC1=O 62a_100011215053_100000211211 [0,1,0,1,0,0|2,0,0]=4 18826 B13R1.444 CSCC(=O)CCC1CCCN1C 1458a_100000184570_100000005710 [0,1,0,1,0,0|2,0,0]=4 18827 B13R1.444 O=C(CCF)CCC1CCOC1=O 1458a_100000117037_100011217306 [0,1,0,1,0,0|1,0,1]=4 18828 B13R1.444 O=C(CCO)CCC1CCOC1=O 1458a_100000117037_100000211926 [0,1,0,1,0,0|1,0,1]=4 18829 B13R1.447 CCCC(=O)OCOCC1CC1C 34a_100000744939_100000034017 [0,1,0,1,0,0|2,0,0]=4 18830 B13R1.447 CCNC(=O)CCOCC1CC1C 7a_100000744939_100000737597 [0,1,0,1,0,0|1,0,0]=3 18831 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009991533 [0,1,0,1,0,0|1,0,0]=3 18832 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009991533 [0,1,0,1,0,0|1,0,0]=3 18833 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100009991533 [0,1,0,1,0,0|1,0,0]=3 18834 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [0,1,0,1,0,0|0,0,0]=2 18835 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [0,1,0,1,0,0|0,0,0]=2 18836 B13R1.448 CCCC(=O)OCNCC1CCC1 2230a_100000738700_100000034017 [0,1,0,1,0,0|2,0,0]=4 18837 B13R1.448 CCCC(=O)OCNCC1CCC1 34a_100000738700_100000034017 [0,1,0,1,0,0|2,0,0]=4 18838 B13R1.448 CCCC(=O)OCOCC1CCC1 34a_100000760304_100000034017 [0,1,0,1,0,0|2,0,0]=4 18839 B13R1.448 CCCC(=O)OCSCC1CCC1 62a_100000763275_100000034017 [0,1,0,1,0,0|2,0,0]=4 18840 B13R1.448 CCNC(=O)CCNCC1CCC1 2230a_100000738700_100000737597 [0,1,0,1,0,0|1,0,0]=3 18841 B13R1.448 CCNC(=O)CCNCC1CCC1 269862a_100025743525_100000753134 [0,1,0,1,0,0|1,0,0]=3 18842 B13R1.448 CCNC(=O)CCNCC1CCC1 34a_100025743525_100000763275 [0,1,0,1,0,0|1,0,0]=3 18843 B13R1.448 CCNC(=O)CCNCC1CCO1 34a_100025743525_100000103362 [0,1,0,1,0,0|2,0,0]=4 18844 B13R1.448 CCNC(=O)CCNCC1COC1 2230a_100015281925_100000737597 [0,1,0,1,0,0|2,0,0]=4 18845 B13R1.448 CCNC(=O)CCNCC1COC1 34a_100025743525_100010264016 [0,1,0,1,0,0|2,0,0]=4 18846 B13R1.448 CCNC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100000737597 [0,1,0,1,0,0|2,0,0]=4 18847 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000737597_100000763275 [0,1,0,1,0,0|1,0,0]=3 18848 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000763275_100000737597 [0,1,0,1,0,0|1,0,0]=3 18849 B13R1.448 CCNC(=O)CCSCC1CCO1 62a_100000103362_100000737597 [0,1,0,1,0,0|2,0,0]=4 18850 B13R1.448 CCNC(=O)CCSCC1CCO1 62a_100000737597_100000103362 [0,1,0,1,0,0|2,0,0]=4 18851 B13R1.448 CCNC(=O)CCSCC1COC1 62a_100000737597_100010264016 [0,1,0,1,0,0|2,0,0]=4 18852 B13R1.448 CCNC(=O)CCSCC1COC1 62a_100010264016_100000737597 [0,1,0,1,0,0|2,0,0]=4 18853 B13R1.448 CCNC(=O)COCCC1COC1 34a_100009855314_100000183381 [0,1,0,1,0,0|2,0,0]=4 18854 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 2230a_100000749019_100016267167 [0,1,0,1,0,0|0,0,2]=4 18855 B13R1.448 CCOC(=O)/C=C/CNC1CCC1 34a_100000749019_100016267167 [0,1,0,1,0,0|0,0,2]=4 18856 B13R1.448 CCOC(=O)/C=C/COC1CCC1 34a_100000748187_100016267167 [0,1,0,1,0,0|0,0,2]=4 18857 B13R1.448 CCOC(=O)/C=C/CSC1CCC1 62a_100016267167_100000749161 [0,1,0,1,0,0|0,0,2]=4 18858 B13R1.448 CCOC(=O)C=NNCC1CCC1 4a_200020586977_100000742314 [0,1,0,1,0,0|1,0,1]=4 18859 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [0,1,0,1,0,0|0,0,0]=2 18860 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [0,1,0,1,0,0|0,0,0]=2 18861 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [0,1,0,1,0,0|0,0,0]=2 18862 B13R1.448 CCOC(=O)CCCNC1COC1 2230a_100016991112_100009991533 [0,1,0,1,0,0|1,0,0]=3 18863 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [0,1,0,1,0,0|0,0,0]=2 18864 B13R1.448 CCOC(=O)CCCOC1COC1 7a_100012001163_100009818527 [0,1,0,1,0,0|1,0,0]=3 18865 B13R1.448 CCOC(=O)CCCOC1CSC1 7a_100000072292_100011215271 [0,1,0,1,0,0|1,0,0]=3 18866 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [0,1,0,1,0,0|0,0,0]=2 18867 B13R1.448 CCOC(=O)CCCSC1COC1 62a_100009991533_100009818527 [0,1,0,1,0,0|1,0,0]=3 18868 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [0,1,0,1,0,0|0,0,0]=2 18869 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [0,1,0,1,0,0|0,0,0]=2 18870 B13R1.448 CCOC(=O)CCNCC1COC1 2230a_100015281925_100011206558 [0,1,0,1,0,0|1,0,0]=3 18871 B13R1.448 CCOC(=O)CCNCC1COC1 34a_100015281925_100000765890 [0,1,0,1,0,0|1,0,0]=3 18872 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100011206558 [0,1,0,1,0,0|1,0,0]=3 18873 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000765890 [0,1,0,1,0,0|1,0,0]=3 18874 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [0,1,0,1,0,0|0,0,0]=2 18875 B13R1.448 CCOC(=O)CCOCC1CCO1 34a_100000039022_100000765890 [0,1,0,1,0,0|1,0,0]=3 18876 B13R1.448 CCOC(=O)CCOCC1CNC1 34a_100016987283_100000765890 [0,1,0,1,0,0|1,0,0]=3 18877 B13R1.448 CCOC(=O)CCOCC1COC1 34a_100000060846_100000765890 [0,1,0,1,0,0|1,0,0]=3 18878 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [0,1,0,1,0,0|0,0,0]=2 18879 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [0,1,0,1,0,0|0,0,0]=2 18880 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000103362_100000765890 [0,1,0,1,0,0|1,0,0]=3 18881 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000765890_100000103362 [0,1,0,1,0,0|1,0,0]=3 18882 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100000765890_100010264016 [0,1,0,1,0,0|1,0,0]=3 18883 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100010264016_100000765890 [0,1,0,1,0,0|1,0,0]=3 18884 B13R1.448 CCOC(=O)COCCC1COC1 34a_100009855314_100000188475 [0,1,0,1,0,0|1,0,0]=3 18885 B13R1.448 CCOC(=O)COCCN1CCC1 269982a_100000754969_100000088970 [0,1,0,1,0,0|1,0,0]=3 18886 B13R1.448 CCOC(=O)NCCOC1CCC1 34a_100000158857_100000749161 [0,1,0,1,0,0|1,0,0]=3 18887 B13R1.448 CCOC(=O)NCCOC1COC1 34a_100000158857_100009818527 [0,1,0,1,0,0|2,0,0]=4 18888 B13R1.448 CCOC(=O)NCCOC1CSC1 7a_100000072292_200011445536 [0,1,0,1,0,0|2,0,0]=4 18889 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [0,1,0,1,0,0|1,0,0]=3 18890 B13R1.448 CCOC(=O)OCSCC1CCO1 62a_100000103362_100000075025 [0,1,0,1,0,0|2,0,0]=4 18891 B13R1.448 CCOC(=O)OCSCC1COC1 62a_100010264016_100000075025 [0,1,0,1,0,0|2,0,0]=4 18892 B13R1.453 CCCC(=O)CSCCCC1CO1 62a_100000733510_100000747444 [0,1,0,1,0,0|2,0,0]=4 18893 B13R1.453 CCCC(=O)CSCCCC1CO1 62a_100000747444_100000733510 [0,1,0,1,0,0|2,0,0]=4 18894 B13R1.453 CCCC(=O)OCNCCC1CC1 34a_100000764129_100000034017 [0,1,0,1,0,0|2,0,0]=4 18895 B13R1.453 CCCC(=O)OCOCCC1CC1 34a_100000754188_100000034017 [0,1,0,1,0,0|2,0,0]=4 18896 B13R1.453 CCCC(=O)OCSCCC1CC1 62a_100000764125_100000034017 [0,1,0,1,0,0|2,0,0]=4 18897 B13R1.453 CCNC(=O)CCNCCC1CC1 34a_100025743525_100000694398 [0,1,0,1,0,0|1,0,0]=3 18898 B13R1.453 CCNC(=O)CCNCCC1CO1 34a_100025743525_100000732470 [0,1,0,1,0,0|2,0,0]=4 18899 B13R1.453 CCNC(=O)CCOCCC1CC1 7a_100000754188_100000737597 [0,1,0,1,0,0|1,0,0]=3 18900 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000737597_100000764125 [0,1,0,1,0,0|1,0,0]=3 18901 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000764125_100000737597 [0,1,0,1,0,0|1,0,0]=3 18902 B13R1.453 CCNC(=O)CCSCCC1CO1 62a_100000732470_100000737597 [0,1,0,1,0,0|2,0,0]=4 18903 B13R1.453 CCNC(=O)CCSCCC1CO1 62a_100000737597_100000732470 [0,1,0,1,0,0|2,0,0]=4 18904 B13R1.453 CCNC(=O)CNCCCC1CO1 2230a_100016988866_100000733510 [0,1,0,1,0,0|2,0,0]=4 18905 B13R1.453 CCNC(=O)COCCNC1CC1 34a_100000738766_100000183381 [0,1,0,1,0,0|2,0,0]=4 18906 B13R1.453 CCNC(=O)CSCCCC1CO1 62a_100000183381_100000733510 [0,1,0,1,0,0|2,0,0]=4 18907 B13R1.453 CCNC(=O)CSCCCC1CO1 62a_100000733510_100000183381 [0,1,0,1,0,0|2,0,0]=4 18908 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 2230a_100000735609_100016267167 [0,1,0,1,0,0|0,0,2]=4 18909 B13R1.453 CCOC(=O)/C=C/CNCC1CC1 34a_100000735609_100016267167 [0,1,0,1,0,0|0,0,2]=4 18910 B13R1.453 CCOC(=O)/C=C/COCC1CC1 34a_100000211283_100016267167 [0,1,0,1,0,0|0,0,2]=4 18911 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100000756562_100016267167 [0,1,0,1,0,0|0,0,2]=4 18912 B13R1.453 CCOC(=O)/C=C/CSCC1CC1 62a_100016267167_100000742324 [0,1,0,1,0,0|0,0,2]=4 18913 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [0,1,0,1,0,0|0,0,0]=2 18914 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [0,1,0,1,0,0|0,0,0]=2 18915 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [0,1,0,1,0,0|0,0,0]=2 18916 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [0,1,0,1,0,0|0,0,0]=2 18917 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [0,1,0,1,0,0|0,0,0]=2 18918 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [0,1,0,1,0,0|0,0,0]=2 18919 B13R1.453 CCOC(=O)CCCOCC1CO1 7a_100012001163_102125554688 [0,1,0,1,0,0|1,0,0]=3 18920 B13R1.453 CCOC(=O)CCCOCC1CS1 7a_100012001163_100000031435 [0,1,0,1,0,0|1,0,0]=3 18921 B13R1.453 CCOC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100009991533 [0,1,0,1,0,0|1,0,0]=3 18922 B13R1.453 CCOC(=O)CCCOC[C@@H]1CO1 7a_100012001163_100000745022 [0,1,0,1,0,0|1,0,0]=3 18923 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [0,1,0,1,0,0|0,0,0]=2 18924 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [0,1,0,1,0,0|0,0,0]=2 18925 B13R1.453 CCOC(=O)CCCSCC1CO1 62a_100009991533_102125554688 [0,1,0,1,0,0|1,0,0]=3 18926 B13R1.453 CCOC(=O)CCCSCC1CO1 62a_102125554688_100009991533 [0,1,0,1,0,0|1,0,0]=3 18927 B13R1.453 CCOC(=O)CCCSCC1CS1 62a_100000031435_100009991533 [0,1,0,1,0,0|1,0,0]=3 18928 B13R1.453 CCOC(=O)CCCSCC1CS1 62a_100009991533_100000031435 [0,1,0,1,0,0|1,0,0]=3 18929 B13R1.453 CCOC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100009991533 [0,1,0,1,0,0|1,0,0]=3 18930 B13R1.453 CCOC(=O)CCCSC[C@@H]1CO1 62a_100009991533_100000745022 [0,1,0,1,0,0|1,0,0]=3 18931 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [0,1,0,1,0,0|0,0,0]=2 18932 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [0,1,0,1,0,0|0,0,0]=2 18933 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [0,1,0,1,0,0|0,0,0]=2 18934 B13R1.453 CCOC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000765890 [0,1,0,1,0,0|1,0,0]=3 18935 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [0,1,0,1,0,0|0,0,0]=2 18936 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [0,1,0,1,0,0|0,0,0]=2 18937 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000732470_100000765890 [0,1,0,1,0,0|1,0,0]=3 18938 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000765890_100000732470 [0,1,0,1,0,0|1,0,0]=3 18939 B13R1.453 CCOC(=O)COCC#CC1CC1 34a_100000083941_100000188475 [0,1,0,1,0,0|0,0,2]=4 18940 B13R1.453 CCOC(=O)COCC#CC1CC1 7a_100000083941_100000188475 [0,1,0,1,0,0|0,0,2]=4 18941 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000212008_100000088970 [0,1,0,1,0,0|1,0,0]=3 18942 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000738766_100000188475 [0,1,0,1,0,0|1,0,0]=3 18943 B13R1.453 CCOC(=O)COCCSC1CC1 62a_100000088970_100000211595 [0,1,0,1,0,0|1,0,0]=3 18944 B13R1.453 CCOC(=O)CSCC#CC1CC1 62a_100000188475_100009895102 [0,1,0,1,0,0|0,0,2]=4 18945 B13R1.453 CCOC(=O)CSCC#CC1CC1 62a_100009895102_100000188475 [0,1,0,1,0,0|0,0,2]=4 18946 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000188475_100000733510 [0,1,0,1,0,0|1,0,0]=3 18947 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000733510_100000188475 [0,1,0,1,0,0|1,0,0]=3 18948 B13R1.453 CCOC(=O)NCCOCC1CC1 34a_100000158857_100000742324 [0,1,0,1,0,0|1,0,0]=3 18949 B13R1.453 CCOC(=O)NCCOCC1CO1 34a_100000158857_102125554688 [0,1,0,1,0,0|2,0,0]=4 18950 B13R1.453 CCOC(=O)NCCSCC1CC1 62a_100000756562_200011445536 [0,1,0,1,0,0|1,0,0]=3 18951 B13R1.453 CCOC(=O)NCCSCC1CO1 62a_102125554688_200011445536 [0,1,0,1,0,0|2,0,0]=4 18952 B13R1.453 CCOC(=O)NCCSCC1CS1 62a_100000031435_200011445536 [0,1,0,1,0,0|2,0,0]=4 18953 B13R1.453 CCOC(=O)NCCSC[C@@H]1CO1 62a_100000745022_200011445536 [0,1,0,1,0,0|2,0,0]=4 18954 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [0,1,0,1,0,0|1,0,0]=3 18955 B13R1.453 CCOC(=O)OCSCCC1CO1 62a_100000732470_100000075025 [0,1,0,1,0,0|2,0,0]=4 18956 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 269982a_100000755817_100016267167 [0,1,0,1,0,0|0,0,2]=4 18957 B13R1.461 CCOC(=O)/C=C/CN1CCC1C 34a_100000755817_100016267167 [0,1,0,1,0,0|0,0,2]=4 18958 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [0,1,0,1,0,0|0,0,0]=2 18959 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [0,1,0,1,0,0|0,0,0]=2 18960 B13R1.461 CCOC(=O)CCSC1CCC1=O 62a_100000765890_100009892977 [0,1,0,1,0,0|1,0,1]=4 18961 B13R1.461 CCOC(=O)CCSC1CCC1=O 62a_100009892977_100000765890 [0,1,0,1,0,0|1,0,1]=4 18962 B13R1.461 CCOC(=O)NCCN1CCC1C 269982a_100000755817_200011445536 [0,1,0,1,0,0|1,0,0]=3 18963 B13R1.463 CCCC(=O)C1CCCCCC1=O 1458a_100000211992_100000243696 [0,1,0,1,0,0|1,0,1]=4 18964 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [0,1,0,1,0,0|1,0,0]=3 18965 B13R1.463 CCNC(=O)C1CCCCCN1C 240690a_100015525214_100015187800 [0,1,0,1,0,0|1,0,0]=3 18966 B13R1.463 CCNC(=O)C1CCCCCN1C 527a_100015525214_100015187800 [0,1,0,1,0,0|1,0,0]=3 18967 B13R1.463 CN1CCCCCC1C(=O)CCF 1458a_100015187800_100011217306 [0,1,0,1,0,0|2,0,0]=4 18968 B13R1.463 CN1CCCCCC1C(=O)CCO 1458a_100015187800_100000211926 [0,1,0,1,0,0|2,0,0]=4 18969 B13R1.463 CNNC(=O)C1CCCCCN1C 22a_100016993582_100015187800 [0,1,0,1,0,0|2,0,0]=4 18970 B13R1.464 CC=CC(=O)N1CCCCC1CC 11a_100000210034_100000210699 [0,1,0,1,0,0|1,0,1]=4 18971 B13R1.464 CC=CC(=O)N1CCCCC1CC 1626a_100000210034_100000210699 [0,1,0,1,0,0|1,0,1]=4 18972 B13R1.464 CC=CC(=O)N1CCCCC1CC 240690a_100000210034_100000210699 [0,1,0,1,0,0|1,0,1]=4 18973 B13R1.464 CCC1CCCCN1C(=O)CCO 240690a_100000210034_100011216618 [0,1,0,1,0,0|2,0,0]=4 18974 B13R1.464 CCC1CCCCN1C(=O)CNC 2230a_106832991635_100000183412 [0,1,0,1,0,0|2,0,0]=4 18975 B13R1.464 CCC1CCCCN1C(=O)CNC 34a_100102657272_100000183412 [0,1,0,1,0,0|2,0,0]=4 18976 B13R1.464 CCC1CCCCN1C(=O)CNC 7a_106832991635_100000183412 [0,1,0,1,0,0|2,0,0]=4 18977 B13R1.464 CCC1CCCCN1C(=O)COC 11a_100000210034_100000210968 [0,1,0,1,0,0|2,0,0]=4 18978 B13R1.464 CCC1CCCCN1C(=O)COC 1626a_100000210034_100000210968 [0,1,0,1,0,0|2,0,0]=4 18979 B13R1.464 CCC1CCCCN1C(=O)COC 240690a_100000210034_100000210968 [0,1,0,1,0,0|2,0,0]=4 18980 B13R1.464 CCC1CCCCN1C(=O)COC 34a_100138415774_100000183412 [0,1,0,1,0,0|2,0,0]=4 18981 B13R1.464 CCC1CCCCN1C(=O)COC 527a_100000210034_100000210968 [0,1,0,1,0,0|2,0,0]=4 18982 B13R1.464 CCC1CCCCN1C(=O)CSC 11a_100000210034_100000184570 [0,1,0,1,0,0|2,0,0]=4 18983 B13R1.464 CCC1CCCCN1C(=O)CSC 1626a_100000210034_100000184570 [0,1,0,1,0,0|2,0,0]=4 18984 B13R1.464 CCC1CCCCN1C(=O)CSC 240690a_100000210034_100000184570 [0,1,0,1,0,0|2,0,0]=4 18985 B13R1.464 CCC1CCCCN1C(=O)CSC 527a_100000210034_100000184570 [0,1,0,1,0,0|2,0,0]=4 18986 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_100000183412_200000210301 [0,1,0,1,0,0|2,0,0]=4 18987 B13R1.464 CCC1CCCCN1C(=O)CSC 62a_200000210301_100000183412 [0,1,0,1,0,0|2,0,0]=4 18988 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_100000183412_200025704644 [0,1,0,1,0,0|2,0,0]=4 18989 B13R1.464 CCC1CCCCN1C(=O)CS[13CH3] 62a_200025704644_100000183412 [0,1,0,1,0,0|2,0,0]=4 18990 B13R1.464 CCCC(=O)C1CCCCN1CC 1458a_100000743832_100000210303 [0,1,0,1,0,0|1,0,0]=3 18991 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [0,1,0,1,0,0|1,0,0]=3 18992 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [0,1,0,1,0,0|1,0,0]=3 18993 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [0,1,0,1,0,0|1,0,0]=3 18994 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [0,1,0,1,0,0|1,0,0]=3 18995 B13R1.464 CCCC(=O)N1CCCCC1CO 240690a_100000210821_100000211992 [0,1,0,1,0,0|2,0,0]=4 18996 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 11a_100016988097_100000211992 [0,1,0,1,0,0|2,0,0]=4 18997 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 1626a_100016988097_100000211992 [0,1,0,1,0,0|2,0,0]=4 18998 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 240690a_100016988097_100000211992 [0,1,0,1,0,0|2,0,0]=4 18999 B13R1.464 CCCC(=O)N1CCOC[C@@H]1CC 527a_100016988097_100000211992 [0,1,0,1,0,0|2,0,0]=4 19000 B13R1.464 CCN1CCCCC1C(=O)CCF 1458a_100000743832_100011217306 [0,1,0,1,0,0|2,0,0]=4 19001 B13R1.464 CCN1CCCCC1C(=O)CCO 1458a_100000743832_100000211926 [0,1,0,1,0,0|2,0,0]=4 19002 B13R1.464 CCN1CCCCC1C(=O)NNC 22a_100016993582_100000743832 [0,1,0,1,0,0|2,0,0]=4 19003 B13R1.464 CCNC(=O)C1CCCCN1CC 11a_100015525214_100000743832 [0,1,0,1,0,0|1,0,0]=3 19004 B13R1.464 CCNC(=O)C1CCCCN1CC 240690a_100015525214_100000743832 [0,1,0,1,0,0|1,0,0]=3 19005 B13R1.464 CCNC(=O)C1CCCCN1CC 527a_100015525214_100000743832 [0,1,0,1,0,0|1,0,0]=3 19006 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [0,1,0,1,0,0|1,0,0]=3 19007 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [0,1,0,1,0,0|1,0,0]=3 19008 B13R1.464 CCNC(=O)N1CCCCC1CO 2708a_100015525214_100000210821 [0,1,0,1,0,0|2,0,0]=4 19009 B13R1.464 CCNC(=O)N1CCCCC1CO 273464a_100015525214_100000210821 [0,1,0,1,0,0|2,0,0]=4 19010 B13R1.464 CCNC(=O)N1CCOC[C@@H]1CC 2708a_100015525214_100016988097 [0,1,0,1,0,0|2,0,0]=4 19011 B13R1.464 CCNC(=O)N1CCOC[C@@H]1CC 273464a_100015525214_100016988097 [0,1,0,1,0,0|2,0,0]=4 19012 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [0,1,0,1,0,0|0,0,0]=2 19013 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [0,1,0,1,0,0|0,0,0]=2 19014 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [0,1,0,1,0,0|0,0,0]=2 19015 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [0,1,0,1,0,0|0,0,0]=2 19016 B13R1.464 CCOC(=O)C1CCCCN1CF 269982a_100016990872_100015361967 [0,1,0,1,0,0|1,0,0]=3 19017 B13R1.464 CCOC(=O)C1CSCCN1CC 2230a_100000735462_100000210202 [0,1,0,1,0,0|1,0,0]=3 19018 B13R1.464 CCOC(=O)C1CSCCN1CC 269982a_100000735462_100000204670 [0,1,0,1,0,0|1,0,0]=3 19019 B13R1.464 CCOC(=O)C1CSCCN1CF 269982a_100000735462_100015361967 [0,1,0,1,0,0|2,0,0]=4 19020 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 2230a_100015229691_100000210202 [0,1,0,1,0,0|1,0,0]=3 19021 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 269982a_100015229691_100000204670 [0,1,0,1,0,0|1,0,0]=3 19022 B13R1.464 CCOC(=O)[C@@H]1COCCN1CF 269982a_100015229691_100015361967 [0,1,0,1,0,0|2,0,0]=4 19023 B13R1.470 C=COC(=O)CN1CCCCC1C 2230a_100000211376_100000036128 [0,1,0,1,0,0|0,0,2]=4 19024 B13R1.470 C=COC(=O)CN1CCCCC1C 269982a_100000211376_100000036128 [0,1,0,1,0,0|0,0,2]=4 19025 B13R1.470 C=COC(=O)CN1CCCCC1C 34a_100000211376_100000036128 [0,1,0,1,0,0|0,0,2]=4 19026 B13R1.470 CC#CC(=O)CC1CCCCN1C 1458a_100000763181_100015185383 [0,1,0,1,0,0|1,0,1]=4 19027 B13R1.470 CC1CCCCC1NC(=O)CCO 240690a_100000211402_100011216618 [0,1,0,1,0,0|2,0,0]=4 19028 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_100000182742_200025704644 [0,1,0,1,0,0|2,0,0]=4 19029 B13R1.470 CC1CCCCC1NC(=O)CS[13CH3] 62a_200025704644_100000182742 [0,1,0,1,0,0|2,0,0]=4 19030 B13R1.470 CC1CCCCN1CC(=O)NCO 2230a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 19031 B13R1.470 CC1CCCCN1CC(=O)NCO 269982a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 19032 B13R1.470 CC1CCCCN1CC(=O)NCO 34a_100000211376_100000185155 [0,1,0,1,0,0|2,0,0]=4 19033 B13R1.470 CC=CC(=O)CC1CCCCN1C 1458a_100000210699_100015185383 [0,1,0,1,0,0|1,0,1]=4 19034 B13R1.470 CC=CC(=O)NC1CCCCC1C 11a_100000211402_100000210699 [0,1,0,1,0,0|1,0,1]=4 19035 B13R1.470 CC=CC(=O)NC1CCCCC1C 1626a_100000211402_100000210699 [0,1,0,1,0,0|1,0,1]=4 19036 B13R1.470 CC=CC(=O)NC1CCCCC1C 240690a_100000211402_100000210699 [0,1,0,1,0,0|1,0,1]=4 19037 B13R1.470 CCCC(=O)CC1CCCCN1C 1458a_100000211992_100015185383 [0,1,0,1,0,0|1,0,0]=3 19038 B13R1.470 CCCC(=O)CN1CCCCC1C 2230a_100000211376_100000747444 [0,1,0,1,0,0|1,0,0]=3 19039 B13R1.470 CCCC(=O)CN1CCCCC1C 269982a_100000211376_100000747444 [0,1,0,1,0,0|1,0,0]=3 19040 B13R1.470 CCCC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000747444 [0,1,0,1,0,0|2,0,0]=4 19041 B13R1.470 CCCC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000747444 [0,1,0,1,0,0|2,0,0]=4 19042 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [0,1,0,1,0,0|1,0,0]=3 19043 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [0,1,0,1,0,0|1,0,0]=3 19044 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [0,1,0,1,0,0|1,0,0]=3 19045 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [0,1,0,1,0,0|1,0,0]=3 19046 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100000211992 [0,1,0,1,0,0|2,0,0]=4 19047 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100000211992 [0,1,0,1,0,0|2,0,0]=4 19048 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100000211992 [0,1,0,1,0,0|2,0,0]=4 19049 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100000211992 [0,1,0,1,0,0|2,0,0]=4 19050 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100000211992 [0,1,0,1,0,0|2,0,0]=4 19051 B13R1.470 CCCC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100000211992 [0,1,0,1,0,0|2,0,0]=4 19052 B13R1.470 CCNC(=O)CN1CCCCC1C 2230a_100000211376_100000183381 [0,1,0,1,0,0|1,0,0]=3 19053 B13R1.470 CCNC(=O)CN1CCCCC1C 269982a_100000211376_100000183381 [0,1,0,1,0,0|1,0,0]=3 19054 B13R1.470 CCNC(=O)CN1CCCCC1C 34a_100000211376_100000183381 [0,1,0,1,0,0|1,0,0]=3 19055 B13R1.470 CCNC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000183381 [0,1,0,1,0,0|2,0,0]=4 19056 B13R1.470 CCNC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000183381 [0,1,0,1,0,0|2,0,0]=4 19057 B13R1.470 CCNC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000183381 [0,1,0,1,0,0|2,0,0]=4 19058 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [0,1,0,1,0,0|1,0,0]=3 19059 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [0,1,0,1,0,0|1,0,0]=3 19060 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [0,1,0,1,0,0|1,0,0]=3 19061 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [0,1,0,1,0,0|1,0,0]=3 19062 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [0,1,0,1,0,0|1,0,0]=3 19063 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [0,1,0,1,0,0|1,0,0]=3 19064 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@@H]1O 2708a_100015525214_100015191688 [0,1,0,1,0,0|2,0,0]=4 19065 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@@H]1O 273464a_100015525214_100015191688 [0,1,0,1,0,0|2,0,0]=4 19066 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015195156_100015525214 [0,1,0,1,0,0|2,0,0]=4 19067 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 2708a_100015525214_100015195156 [0,1,0,1,0,0|2,0,0]=4 19068 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015195156_100015525214 [0,1,0,1,0,0|2,0,0]=4 19069 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 273464a_100015525214_100015195156 [0,1,0,1,0,0|2,0,0]=4 19070 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015195156_100015525214 [0,1,0,1,0,0|2,0,0]=4 19071 B13R1.470 CCNC(=O)N[C@@H]1CCCC[C@H]1F 512a_100015525214_100015195156 [0,1,0,1,0,0|2,0,0]=4 19072 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [0,1,0,1,0,0|0,0,0]=2 19073 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [0,1,0,1,0,0|0,0,0]=2 19074 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [0,1,0,1,0,0|0,0,0]=2 19075 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [0,1,0,1,0,0|0,0,0]=2 19076 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [0,1,0,1,0,0|0,0,0]=2 19077 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [0,1,0,1,0,0|0,0,0]=2 19078 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [0,1,0,1,0,0|0,0,0]=2 19079 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000188475 [0,1,0,1,0,0|1,0,0]=3 19080 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000188475 [0,1,0,1,0,0|1,0,0]=3 19081 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000188475 [0,1,0,1,0,0|1,0,0]=3 19082 B13R1.470 CN1CCCCC1CC(=O)CCO 1458a_100011216618_100015185383 [0,1,0,1,0,0|2,0,0]=4 19083 B13R1.470 CNCC(=O)NC1CCCCC1C 2230a_106832991635_100000182742 [0,1,0,1,0,0|2,0,0]=4 19084 B13R1.470 CNCC(=O)NC1CCCCC1C 34a_100102657272_100000182742 [0,1,0,1,0,0|2,0,0]=4 19085 B13R1.470 CNCC(=O)NC1CCCCC1C 7a_106832991635_100000182742 [0,1,0,1,0,0|2,0,0]=4 19086 B13R1.470 CNNC(=O)NC1CCCCC1C 273464a_100000211402_100016993582 [0,1,0,1,0,0|2,0,0]=4 19087 B13R1.470 CNNC(=O)NC1CCCCC1C 512a_100000211402_100016993582 [0,1,0,1,0,0|2,0,0]=4 19088 B13R1.470 CNNC(=O)NC1CCCCC1C 512a_100016993582_100000211402 [0,1,0,1,0,0|2,0,0]=4 19089 B13R1.470 COCC(=O)CC1CCCCN1C 1458a_100000210968_100015185383 [0,1,0,1,0,0|2,0,0]=4 19090 B13R1.470 COCC(=O)NC1CCCCC1C 11a_100000211402_100000210968 [0,1,0,1,0,0|2,0,0]=4 19091 B13R1.470 COCC(=O)NC1CCCCC1C 1626a_100000211402_100000210968 [0,1,0,1,0,0|2,0,0]=4 19092 B13R1.470 COCC(=O)NC1CCCCC1C 240690a_100000211402_100000210968 [0,1,0,1,0,0|2,0,0]=4 19093 B13R1.470 COCC(=O)NC1CCCCC1C 34a_100138415774_100000182742 [0,1,0,1,0,0|2,0,0]=4 19094 B13R1.470 COCC(=O)NC1CCCCC1C 527a_100000211402_100000210968 [0,1,0,1,0,0|2,0,0]=4 19095 B13R1.470 CSCC(=O)CC1CCCCN1C 1458a_100000184570_100015185383 [0,1,0,1,0,0|2,0,0]=4 19096 B13R1.470 CSCC(=O)NC1CCCCC1C 11a_100000211402_100000184570 [0,1,0,1,0,0|2,0,0]=4 19097 B13R1.470 CSCC(=O)NC1CCCCC1C 1626a_100000211402_100000184570 [0,1,0,1,0,0|2,0,0]=4 19098 B13R1.470 CSCC(=O)NC1CCCCC1C 240690a_100000211402_100000184570 [0,1,0,1,0,0|2,0,0]=4 19099 B13R1.470 CSCC(=O)NC1CCCCC1C 527a_100000211402_100000184570 [0,1,0,1,0,0|2,0,0]=4 19100 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_100000182742_200000210301 [0,1,0,1,0,0|2,0,0]=4 19101 B13R1.470 CSCC(=O)NC1CCCCC1C 62a_200000210301_100000182742 [0,1,0,1,0,0|2,0,0]=4 19102 B13R1.567 CCCCN1CCCC(C1)OCC 2230a_100000745229_100000210211 [0,1,0,1,0,0|1,0,1]=4 19103 B13R1.567 CCCCN1CCCC(C1)OCC 269982a_100000745229_100000210211 [0,1,0,1,0,0|1,0,1]=4 19104 B13R1.567 CCCCN1CCCC(C1)OCC 34a_100000745229_100000210210 [0,1,0,1,0,0|1,0,1]=4 19105 B13R1.654 C#CCCCCNC1CCOC1=O 2230a_100000706060_100000211211 [0,1,0,1,0,0|0,0,2]=4 19106 B13R1.654 C#CCCCCNC1CCOC1=O 34a_100000706060_100000211211 [0,1,0,1,0,0|0,0,2]=4 19107 B13R1.654 C#CCCCCOC1CCOC1=O 34a_100000766709_100000211211 [0,1,0,1,0,0|0,0,2]=4 19108 B13R1.654 C#CCCCCOC1CCOC1=O 7a_100000766709_100000211211 [0,1,0,1,0,0|0,0,2]=4 19109 B13R1.654 C#CCCCCSC1CCOC1=O 62a_100000211211_100010269958 [0,1,0,1,0,0|0,0,2]=4 19110 B13R1.654 C#CCCCCSC1CCOC1=O 62a_100010269958_100000211211 [0,1,0,1,0,0|0,0,2]=4 19111 B13R1.654 C=CCCCCNC1CCOC1=O 2230a_100000703577_100000211211 [0,1,0,1,0,0|0,0,2]=4 19112 B13R1.654 C=CCCCCNC1CCOC1=O 34a_100000703577_100000211211 [0,1,0,1,0,0|0,0,2]=4 19113 B13R1.654 C=CCCCCOC1CCOC1=O 34a_100000766645_100000211211 [0,1,0,1,0,0|0,0,2]=4 19114 B13R1.654 C=CCCCCOC1CCOC1=O 7a_100000766645_100000211211 [0,1,0,1,0,0|0,0,2]=4 19115 B13R1.654 C=CCCCCSC1CCOC1=O 62a_100000211211_100011215482 [0,1,0,1,0,0|0,0,2]=4 19116 B13R1.654 C=CCCCCSC1CCOC1=O 62a_100011215482_100000211211 [0,1,0,1,0,0|0,0,2]=4 19117 B13R1.654 CC/C=C\CCOC1CCOC1=O 34a_100016288707_100000211211 [0,1,0,1,0,0|0,0,2]=4 19118 B13R1.654 CC/C=C\CCOC1CCOC1=O 7a_100016288707_100000211211 [0,1,0,1,0,0|0,0,2]=4 19119 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100000211211_100015370543 [0,1,0,1,0,0|0,0,2]=4 19120 B13R1.654 CC/C=C\CCSC1CCOC1=O 62a_100015370543_100000211211 [0,1,0,1,0,0|0,0,2]=4 19121 B13R1.654 CC=CCCCOC1CCOC1=O 34a_100020645299_100000211211 [0,1,0,1,0,0|0,0,2]=4 19122 B13R1.654 CCC#CCCOC1CCOC1=O 34a_100000036655_100000211211 [0,1,0,1,0,0|0,0,2]=4 19123 B13R1.654 CCC#CCCOC1CCOC1=O 7a_100000036655_100000211211 [0,1,0,1,0,0|0,0,2]=4 19124 B13R1.654 CCC/C=C/COC1CCOC1=O 34a_100016278788_100000211211 [0,1,0,1,0,0|0,0,2]=4 19125 B13R1.654 CCC/C=C/COC1CCOC1=O 7a_100016278788_100000211211 [0,1,0,1,0,0|0,0,2]=4 19126 B13R1.654 CCCC#CCOC1CCOC1=O 34a_100000034806_100000211211 [0,1,0,1,0,0|0,0,2]=4 19127 B13R1.654 CCCC#CCOC1CCOC1=O 7a_100000034806_100000211211 [0,1,0,1,0,0|0,0,2]=4 19128 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [0,1,0,1,0,0|1,0,0]=3 19129 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [0,1,0,1,0,0|1,0,0]=3 19130 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [0,1,0,1,0,0|1,0,0]=3 19131 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [0,1,0,1,0,0|0,0,0]=2 19132 B13R1.654 CCCCCCNC1CCOC1C 270004a_100000210581_100000691750 [0,1,0,1,0,0|1,0,1]=4 19133 B13R1.654 CCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210314 [0,1,0,1,0,0|2,0,0]=4 19134 B13R1.654 CCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210314 [0,1,0,1,0,0|2,0,0]=4 19135 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [0,1,0,1,0,0|1,0,0]=3 19136 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [0,1,0,1,0,0|1,0,0]=3 19137 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [0,1,0,1,0,0|1,0,0]=3 19138 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [0,1,0,1,0,0|0,0,0]=2 19139 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [0,1,0,1,0,0|0,0,0]=2 19140 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [0,1,0,1,0,0|1,0,0]=3 19141 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [0,1,0,1,0,0|1,0,0]=3 19142 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [0,1,0,1,0,0|1,0,0]=3 19143 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [0,1,0,1,0,0|0,0,0]=2 19144 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [0,1,0,1,0,0|0,0,0]=2 19145 B13R1.654 CCCCCOCC1=CCCC1=O 34a_100000087531_100000718602 [0,1,0,1,0,0|2,0,0]=4 19146 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [0,1,0,1,0,0|1,0,0]=3 19147 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000026320_100000210326 [0,1,0,1,0,0|2,0,0]=4 19148 B13R1.654 CCCCCSCN1CCCC1=O 62a_100000210326_100000026320 [0,1,0,1,0,0|2,0,0]=4 19149 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100000102301_100000739059 [0,1,0,1,0,0|2,0,0]=4 19150 B13R1.654 CCCCNCCN1CCCC1=O 2230a_100011200922_100000210211 [0,1,0,1,0,0|2,0,0]=4 19151 B13R1.654 CCCCNCCN1CCCC1=O 7a_106832991798_100000739059 [0,1,0,1,0,0|2,0,0]=4 19152 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100000102301_100000090651 [0,1,0,1,0,0|2,0,0]=4 19153 B13R1.654 CCCCNCCN1CCNC1=O 2230a_100011207550_100000210211 [0,1,0,1,0,0|2,0,0]=4 19154 B13R1.654 CCCCNCCN1CCNC1=O 7a_106832991798_100000090651 [0,1,0,1,0,0|2,0,0]=4 19155 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000210227_100000739059 [0,1,0,1,0,0|2,0,0]=4 19156 B13R1.654 CCCCOCCN1CCCC1=O 34a_100000211209_100000210210 [0,1,0,1,0,0|2,0,0]=4 19157 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000210227_100000739059 [0,1,0,1,0,0|2,0,0]=4 19158 B13R1.654 CCCCOCCN1CCCC1=O 7a_100000211209_100000210211 [0,1,0,1,0,0|2,0,0]=4 19159 B13R1.654 CCCCOCCN1CCNC1=O 34a_100000216532_100000210210 [0,1,0,1,0,0|2,0,0]=4 19160 B13R1.654 CCCCOCCN1CCNC1=O 7a_100000210227_100000090651 [0,1,0,1,0,0|2,0,0]=4 19161 B13R1.654 CCCCOCNC1CCNC1=O 2230a_100016995588_100011995733 [0,1,0,1,0,0|2,0,0]=4 19162 B13R1.654 CCCCOCNC1CCNC1=O 34a_100016995588_100011995733 [0,1,0,1,0,0|2,0,0]=4 19163 B13R1.654 CCCCOCOC1CCCC1=O 34a_200000719330_100011995733 [0,1,0,1,0,0|2,0,0]=4 19164 B13R1.654 CCCCOCO[C@H]1CCNC1=O 34a_100000688343_100011995733 [0,1,0,1,0,0|2,0,0]=4 19165 B13R1.654 CCCCOCSC1CCCC1=O 62a_100000211823_100011995733 [0,1,0,1,0,0|2,0,0]=4 19166 B13R1.654 CCCCOCSC1CCCC1=O 62a_100011995733_100000211823 [0,1,0,1,0,0|2,0,0]=4 19167 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [0,1,0,1,0,0|1,0,0]=3 19168 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [0,1,0,1,0,0|1,0,0]=3 19169 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000210211_100000739059 [0,1,0,1,0,0|2,0,0]=4 19170 B13R1.654 CCCCSCCN1CCCC1=O 62a_100000739059_100000210210 [0,1,0,1,0,0|2,0,0]=4 19171 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000090651_100000210210 [0,1,0,1,0,0|2,0,0]=4 19172 B13R1.654 CCCCSCCN1CCNC1=O 62a_100000210211_100000090651 [0,1,0,1,0,0|2,0,0]=4 19173 B13R1.654 CCCNCCCN1CCCC1=O 2230a_100000210347_100000210303 [0,1,0,1,0,0|2,0,0]=4 19174 B13R1.654 CCCNCCCN1CCCC1=O 34a_100000210347_100000210303 [0,1,0,1,0,0|2,0,0]=4 19175 B13R1.654 CCCOCCCN1CCCC1=O 34a_100011216539_100000210303 [0,1,0,1,0,0|2,0,0]=4 19176 B13R1.654 CCCOCCCN1CCCC1=O 7a_100011216539_100000210303 [0,1,0,1,0,0|2,0,0]=4 19177 B13R1.654 CCCOCCNC1CCCC1=O 2230a_100161115042_100000211823 [0,1,0,1,0,0|2,0,0]=4 19178 B13R1.654 CCCOCCNC1CCCC1=O 34a_100161115042_100000709159 [0,1,0,1,0,0|2,0,0]=4 19179 B13R1.654 CCCOCCNC1CCNC1=O 2230a_100016995588_100011215938 [0,1,0,1,0,0|2,0,0]=4 19180 B13R1.654 CCCOCCNC1CCNC1=O 34a_100016995588_100011215938 [0,1,0,1,0,0|2,0,0]=4 19181 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [0,1,0,1,0,0|1,0,0]=3 19182 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [0,1,0,1,0,0|1,0,0]=3 19183 B13R1.654 CCCOCCOC1CCCC1=O 34a_100000752267_100000709159 [0,1,0,1,0,0|2,0,0]=4 19184 B13R1.654 CCCOCCOC1CCCC1=O 34a_200000719330_100011215938 [0,1,0,1,0,0|2,0,0]=4 19185 B13R1.654 CCCOCCOC1CCCC1=O 7a_100000752267_100000211823 [0,1,0,1,0,0|2,0,0]=4 19186 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [0,1,0,1,0,0|1,0,0]=3 19187 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [0,1,0,1,0,0|1,0,0]=3 19188 B13R1.654 CCCOCCO[C@H]1CCNC1=O 34a_100000688343_100011215938 [0,1,0,1,0,0|2,0,0]=4 19189 B13R1.654 CCCOCCSC1CCCC1=O 62a_100000211823_100011215938 [0,1,0,1,0,0|2,0,0]=4 19190 B13R1.654 CCCOCCSC1CCCC1=O 62a_100011215938_100000211823 [0,1,0,1,0,0|2,0,0]=4 19191 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [0,1,0,1,0,0|1,0,0]=3 19192 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [0,1,0,1,0,0|1,0,0]=3 19193 B13R1.654 CCCSCCNC1CCCC1=O 2230a_100020603323_100000211823 [0,1,0,1,0,0|2,0,0]=4 19194 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [0,1,0,1,0,0|1,0,0]=3 19195 B13R1.654 CCCSCCOC1CCCC1=O 34a_200000230433_100000709159 [0,1,0,1,0,0|2,0,0]=4 19196 B13R1.654 CCCSCCOC1CCCC1=O 7a_200000230433_100000211823 [0,1,0,1,0,0|2,0,0]=4 19197 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [0,1,0,1,0,0|1,0,0]=3 19198 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [0,1,0,1,0,0|1,0,0]=3 19199 B13R1.654 CCOCCCNC1CCCC1=O 2230a_100000210961_100000211823 [0,1,0,1,0,0|2,0,0]=4 19200 B13R1.654 CCOCCCNC1CCCC1=O 34a_100000210961_100000709159 [0,1,0,1,0,0|2,0,0]=4 19201 B13R1.654 CCOCCCNC1CCNC1=O 2230a_100016995588_100012232248 [0,1,0,1,0,0|2,0,0]=4 19202 B13R1.654 CCOCCCNC1CCNC1=O 34a_100016995588_100012232248 [0,1,0,1,0,0|2,0,0]=4 19203 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [0,1,0,1,0,0|1,0,0]=3 19204 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [0,1,0,1,0,0|1,0,0]=3 19205 B13R1.654 CCOCCCOC1CCCC1=O 34a_100000757476_100000709159 [0,1,0,1,0,0|2,0,0]=4 19206 B13R1.654 CCOCCCOC1CCCC1=O 34a_200000719330_100012232248 [0,1,0,1,0,0|2,0,0]=4 19207 B13R1.654 CCOCCCOC1CCCC1=O 7a_100000757476_100000211823 [0,1,0,1,0,0|2,0,0]=4 19208 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [0,1,0,1,0,0|1,0,0]=3 19209 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [0,1,0,1,0,0|1,0,0]=3 19210 B13R1.654 CCOCCCO[C@H]1CCNC1=O 34a_100000688343_100012232248 [0,1,0,1,0,0|2,0,0]=4 19211 B13R1.654 CCOCCCSC1CCCC1=O 62a_100000211823_100012232248 [0,1,0,1,0,0|2,0,0]=4 19212 B13R1.654 CCOCCCSC1CCCC1=O 62a_100012232248_100000211823 [0,1,0,1,0,0|2,0,0]=4 19213 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [0,1,0,1,0,0|1,0,0]=3 19214 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [0,1,0,1,0,0|1,0,0]=3 19215 B13R1.654 CCOCCOCC1CCNC1=O 34a_100000133458_100000210147 [0,1,0,1,0,0|2,0,0]=4 19216 B13R1.654 CCSCCCOC1CCCC1=O 34a_100011216438_100000709159 [0,1,0,1,0,0|2,0,0]=4 19217 B13R1.654 CCSCCCOC1CCCC1=O 7a_100011216438_100000211823 [0,1,0,1,0,0|2,0,0]=4 19218 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [0,1,0,1,0,0|1,0,0]=3 19219 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [0,1,0,1,0,0|1,0,0]=3 19220 B13R1.654 CCSCCOCC1CCNC1=O 34a_100000133458_100000757381 [0,1,0,1,0,0|2,0,0]=4 19221 B13R1.654 COCCCCNC1CCNC1=O 2230a_100016995588_100000730899 [0,1,0,1,0,0|2,0,0]=4 19222 B13R1.654 COCCCCNC1CCNC1=O 34a_100016995588_100000755781 [0,1,0,1,0,0|2,0,0]=4 19223 B13R1.654 COCCCCOC1CCCC1=O 34a_100000740925_100000709159 [0,1,0,1,0,0|2,0,0]=4 19224 B13R1.654 COCCCCOC1CCCC1=O 34a_200000719330_100000755781 [0,1,0,1,0,0|2,0,0]=4 19225 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [0,1,0,1,0,0|1,0,0]=3 19226 B13R1.654 COCCCCO[C@H]1CCNC1=O 34a_100000688343_100000755781 [0,1,0,1,0,0|2,0,0]=4 19227 B13R1.654 COCCCCSC1CCCC1=O 62a_100000211823_100000730899 [0,1,0,1,0,0|2,0,0]=4 19228 B13R1.654 COCCCCSC1CCCC1=O 62a_100000730899_100000211823 [0,1,0,1,0,0|2,0,0]=4 19229 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [0,1,0,1,0,0|1,0,0]=3 19230 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [0,1,0,1,0,0|1,0,0]=3 19231 B13R1.654 COCCCOCC1CCNC1=O 34a_100000133458_100000740836 [0,1,0,1,0,0|2,0,0]=4 19232 B13R1.654 COCCOCSC1CCOC1=O 62a_100000211211_100000231047 [0,1,0,1,0,0|2,0,0]=4 19233 B13R1.654 COCCOCSC1CCOC1=O 62a_100000231047_100000211211 [0,1,0,1,0,0|2,0,0]=4 19234 B13R1.654 CSCCCCOC1CCCC1=O 34a_100011217163_100000709159 [0,1,0,1,0,0|2,0,0]=4 19235 B13R1.654 CSCCCCOC1CCCC1=O 7a_100011217163_100000211823 [0,1,0,1,0,0|2,0,0]=4 19236 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [0,1,0,1,0,0|1,0,0]=3 19237 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [0,1,0,1,0,0|1,0,0]=3 19238 B13R1.654 N#CCCCCSC1CCOC1=O 62a_100000211211_100000211819 [0,1,0,1,0,0|1,0,1]=4 19239 B13R1.654 N#CCCCCSC1CCOC1=O 62a_100011219923_100000211211 [0,1,0,1,0,0|1,0,1]=4 19240 B13R1.654 NCCCCCOC1CCCC1=O 34a_100000762737_100000709159 [0,1,0,1,0,0|2,0,0]=4 19241 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [0,1,0,1,0,0|1,0,0]=3 19242 B13R1.654 NCCOCCOC1CCOC1=O 34a_100000211614_100000211211 [0,1,0,1,0,0|2,0,0]=4 19243 B13R1.654 O=C1CCCC1NCCCCCO 2230a_100000762737_100000211823 [0,1,0,1,0,0|2,0,0]=4 19244 B13R1.654 O=C1CCCC1NCCCCCO 34a_100000762737_100000709159 [0,1,0,1,0,0|2,0,0]=4 19245 B13R1.654 O=C1CCCC1OCCCCCBr 34a_100000746331_100000709159 [0,1,0,1,0,0|2,0,0]=4 19246 B13R1.654 O=C1CCCC1OCCCCCBr 7a_100000746331_100000211823 [0,1,0,1,0,0|2,0,0]=4 19247 B13R1.654 O=C1CCCC1OCCCCCCl 34a_100000746330_100000709159 [0,1,0,1,0,0|2,0,0]=4 19248 B13R1.654 O=C1CCCC1OCCCCCCl 7a_100000746330_100000211823 [0,1,0,1,0,0|2,0,0]=4 19249 B13R1.654 O=C1CCCC1OCCCCCF 34a_200000719330_100000729378 [0,1,0,1,0,0|2,0,0]=4 19250 B13R1.654 O=C1CCCC1OCCCCCI 34a_200012148887_100000709159 [0,1,0,1,0,0|2,0,0]=4 19251 B13R1.654 O=C1CCCC1OCCCCCI 7a_200012148887_100000211823 [0,1,0,1,0,0|2,0,0]=4 19252 B13R1.654 O=C1CCCC1OCCCCCO 34a_200000719330_100000746330 [0,1,0,1,0,0|2,0,0]=4 19253 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000211823_100000729378 [0,1,0,1,0,0|2,0,0]=4 19254 B13R1.654 O=C1CCCC1SCCCCCF 62a_100000729378_100000211823 [0,1,0,1,0,0|2,0,0]=4 19255 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000211823_100000746330 [0,1,0,1,0,0|2,0,0]=4 19256 B13R1.654 O=C1CCCC1SCCCCCO 62a_100000746330_100000211823 [0,1,0,1,0,0|2,0,0]=4 19257 B13R1.654 O=C1NCCC1COCCCCF 34a_100000133458_100000729493 [0,1,0,1,0,0|2,0,0]=4 19258 B13R1.654 O=C1NCCC1COCCCCO 34a_100000133458_100011216708 [0,1,0,1,0,0|2,0,0]=4 19259 B13R1.654 O=C1NCCC1NCCCCCF 2230a_100016995588_100000729378 [0,1,0,1,0,0|2,0,0]=4 19260 B13R1.654 O=C1NCCC1NCCCCCF 34a_100016995588_100000729378 [0,1,0,1,0,0|2,0,0]=4 19261 B13R1.654 O=C1NCCC1NCCCCCO 2230a_100016995588_100000746330 [0,1,0,1,0,0|2,0,0]=4 19262 B13R1.654 O=C1NCCC1NCCCCCO 34a_100016995588_100000746330 [0,1,0,1,0,0|2,0,0]=4 19263 B13R1.654 O=C1NCC[C@@H]1OCCCCCF 34a_100000688343_100000729378 [0,1,0,1,0,0|2,0,0]=4 19264 B13R1.654 O=C1NCC[C@@H]1OCCCCCO 34a_100000688343_100000746330 [0,1,0,1,0,0|2,0,0]=4 19265 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [0,1,0,1,0,0|1,0,0]=3 19266 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [0,1,0,1,0,0|1,0,0]=3 19267 B13R1.654 O=C1OCCC1NCCOCCO 2230a_100000211614_100000211211 [0,1,0,1,0,0|2,0,0]=4 19268 B13R1.654 O=C1OCCC1NCCOCCO 34a_100000211614_100000211211 [0,1,0,1,0,0|2,0,0]=4 19269 B13R1.654 O=C1OCCC1NCCSCCO 2230a_100011219999_100000211211 [0,1,0,1,0,0|2,0,0]=4 19270 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [0,1,0,1,0,0|1,0,0]=3 19271 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [0,1,0,1,0,0|1,0,0]=3 19272 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [0,1,0,1,0,0|1,0,0]=3 19273 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [0,1,0,1,0,0|1,0,0]=3 19274 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [0,1,0,1,0,0|1,0,0]=3 19275 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [0,1,0,1,0,0|1,0,0]=3 19276 B13R1.654 O=C1OCCC1OCCOCCBr 34a_100000692535_100000211211 [0,1,0,1,0,0|2,0,0]=4 19277 B13R1.654 O=C1OCCC1OCCOCCBr 7a_100000692535_100000211211 [0,1,0,1,0,0|2,0,0]=4 19278 B13R1.654 O=C1OCCC1OCCOCCCl 34a_100011215305_100000211211 [0,1,0,1,0,0|2,0,0]=4 19279 B13R1.654 O=C1OCCC1OCCOCCCl 7a_100011215305_100000211211 [0,1,0,1,0,0|2,0,0]=4 19280 B13R1.654 O=C1OCCC1OCCOCCF 34a_200015357709_100000211211 [0,1,0,1,0,0|2,0,0]=4 19281 B13R1.654 O=C1OCCC1OCCOCCF 7a_200015357709_100000211211 [0,1,0,1,0,0|2,0,0]=4 19282 B13R1.654 O=C1OCCC1OCCOCCI 34a_100012149058_100000211211 [0,1,0,1,0,0|2,0,0]=4 19283 B13R1.654 O=C1OCCC1OCCOCCI 7a_100012149058_100000211211 [0,1,0,1,0,0|2,0,0]=4 19284 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [0,1,0,1,0,0|1,0,0]=3 19285 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [0,1,0,1,0,0|1,0,0]=3 19286 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [0,1,0,1,0,0|1,0,0]=3 19287 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [0,1,0,1,0,0|1,0,0]=3 19288 B13R1.654 O=C1OCCC1SCCOCCO 62a_100000211211_100011215305 [0,1,0,1,0,0|2,0,0]=4 19289 B13R1.654 O=C1OCCC1SCCOCCO 62a_100011215305_100000211211 [0,1,0,1,0,0|2,0,0]=4 19290 B13R1.654 O=CCCCCSC1CCOC1=O 62a_100000139335_100000211211 [0,1,0,1,0,0|1,0,1]=4 19291 B13R1.654 O=CCCCCSC1CCOC1=O 62a_100000211211_100000139335 [0,1,0,1,0,0|1,0,1]=4 19292 B13R1.657 CCCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210326 [0,1,0,1,0,0|1,0,1]=4 19293 B13R1.657 CCCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210215 [0,1,0,1,0,0|1,0,1]=4 19294 B13R1.657 CCCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000718602 [0,1,0,1,0,0|1,0,1]=4 19295 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [0,1,0,1,0,0|1,0,0]=3 19296 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [0,1,0,1,0,0|1,0,0]=3 19297 B13R1.1149 CCOCCN1CCNC(=O)CC1 2230a_100000698595_100011215890 [0,1,0,1,0,0|2,0,0]=4 19298 B13R1.1149 CCOCCN1CCNC(=O)CC1 269982a_100000698595_100011215890 [0,1,0,1,0,0|2,0,0]=4 19299 B13R1.1149 CCSCCN1CCNC(=O)CC1 2230a_100000698595_100000757381 [0,1,0,1,0,0|2,0,0]=4 19300 B13R1.1149 CCSCCN1CCNC(=O)CC1 269982a_100000698595_100000757381 [0,1,0,1,0,0|2,0,0]=4 19301 B13R1.1149 COCCCN1CCNC(=O)CC1 2230a_100000698595_100000740836 [0,1,0,1,0,0|2,0,0]=4 19302 B13R1.1149 COCCCN1CCNC(=O)CC1 269982a_100000698595_100000740836 [0,1,0,1,0,0|2,0,0]=4 19303 B13R1.1149 O=C1CCN(CCN1)CCCCF 2230a_100000698595_100000729493 [0,1,0,1,0,0|2,0,0]=4 19304 B13R1.1149 O=C1CCN(CCN1)CCCCF 269982a_100000698595_100000729493 [0,1,0,1,0,0|2,0,0]=4 19305 B13R1.1149 O=C1CCN(CCN1)CCCCO 2230a_100000698595_100000210776 [0,1,0,1,0,0|2,0,0]=4 19306 B13R1.1149 O=C1CCN(CCN1)CCCCO 269982a_100000698595_100000210776 [0,1,0,1,0,0|2,0,0]=4 19307 B13R1.1464 CC=CC(=O)N1CCCCCCC1 11a_100000211400_100000210699 [0,1,0,1,0,0|1,0,1]=4 19308 B13R1.1464 CC=CC(=O)N1CCCCCCC1 1626a_100000211400_100000210699 [0,1,0,1,0,0|1,0,1]=4 19309 B13R1.1464 CC=CC(=O)N1CCCCCCC1 240690a_100000211400_100000210699 [0,1,0,1,0,0|1,0,1]=4 19310 B13R1.1464 CCCC(=O)C1CC/C=C\CCC1 1458a_100000211992_100021000466 [0,1,0,1,0,0|1,0,1]=4 19311 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [0,1,0,1,0,0|1,0,0]=3 19312 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [0,1,0,1,0,0|1,0,0]=3 19313 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [0,1,0,1,0,0|1,0,0]=3 19314 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [0,1,0,1,0,0|1,0,0]=3 19315 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [0,1,0,1,0,0|1,0,0]=3 19316 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [0,1,0,1,0,0|1,0,0]=3 19317 B13R1.1464 CNCC(=O)N1CCCCCCC1 2230a_106832991635_100000230191 [0,1,0,1,0,0|2,0,0]=4 19318 B13R1.1464 CNCC(=O)N1CCCCCCC1 34a_100102657272_100000230191 [0,1,0,1,0,0|2,0,0]=4 19319 B13R1.1464 CNCC(=O)N1CCCCCCC1 7a_106832991635_100000230191 [0,1,0,1,0,0|2,0,0]=4 19320 B13R1.1464 COCC(=O)N1CCCCCCC1 11a_100000211400_100000210968 [0,1,0,1,0,0|2,0,0]=4 19321 B13R1.1464 COCC(=O)N1CCCCCCC1 1626a_100000211400_100000210968 [0,1,0,1,0,0|2,0,0]=4 19322 B13R1.1464 COCC(=O)N1CCCCCCC1 240690a_100000211400_100000210968 [0,1,0,1,0,0|2,0,0]=4 19323 B13R1.1464 COCC(=O)N1CCCCCCC1 34a_100138415774_100000230191 [0,1,0,1,0,0|2,0,0]=4 19324 B13R1.1464 COCC(=O)N1CCCCCCC1 527a_100000211400_100000210968 [0,1,0,1,0,0|2,0,0]=4 19325 B13R1.1464 CSCC(=O)N1CCCCCCC1 11a_100000211400_100000184570 [0,1,0,1,0,0|2,0,0]=4 19326 B13R1.1464 CSCC(=O)N1CCCCCCC1 1626a_100000211400_100000184570 [0,1,0,1,0,0|2,0,0]=4 19327 B13R1.1464 CSCC(=O)N1CCCCCCC1 240690a_100000211400_100000184570 [0,1,0,1,0,0|2,0,0]=4 19328 B13R1.1464 CSCC(=O)N1CCCCCCC1 527a_100000211400_100000184570 [0,1,0,1,0,0|2,0,0]=4 19329 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_100000230191_200000210301 [0,1,0,1,0,0|2,0,0]=4 19330 B13R1.1464 CSCC(=O)N1CCCCCCC1 62a_200000210301_100000230191 [0,1,0,1,0,0|2,0,0]=4 19331 B13R1.1464 O=C(CCO)N1CCCCCCC1 240690a_100000211400_100011216618 [0,1,0,1,0,0|2,0,0]=4 19332 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_100000230191_200025704644 [0,1,0,1,0,0|2,0,0]=4 19333 B13R1.1464 [13CH3]SCC(=O)N1CCCCCCC1 62a_200025704644_100000230191 [0,1,0,1,0,0|2,0,0]=4 19334 B13R1.1575 C=COC(=O)CN1CCCCCC1 2230a_100000185865_100000036128 [0,1,0,1,0,0|0,0,2]=4 19335 B13R1.1575 C=COC(=O)CN1CCCCCC1 269982a_100000185865_100000036128 [0,1,0,1,0,0|0,0,2]=4 19336 B13R1.1575 C=COC(=O)CN1CCCCCC1 34a_100000185865_100000036128 [0,1,0,1,0,0|0,0,2]=4 19337 B13R1.1575 CC#CC(=O)CC1CCCCCC1 1458a_100000763181_200000696569 [0,1,0,1,0,0|1,0,1]=4 19338 B13R1.1575 CC=CC(=O)CC1CCCCCC1 1458a_100000210699_200000696569 [0,1,0,1,0,0|1,0,1]=4 19339 B13R1.1575 CC=CC(=O)NC1CCCCCC1 11a_100000210984_100000210699 [0,1,0,1,0,0|1,0,1]=4 19340 B13R1.1575 CC=CC(=O)NC1CCCCCC1 1626a_100000210984_100000210699 [0,1,0,1,0,0|1,0,1]=4 19341 B13R1.1575 CC=CC(=O)NC1CCCCCC1 240690a_100000210984_100000210699 [0,1,0,1,0,0|1,0,1]=4 19342 B13R1.1575 CCCC(=O)C=C1CCCCCC1 1458a_100011240665_100000210303 [0,1,0,1,0,0|1,0,1]=4 19343 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [0,1,0,1,0,0|1,0,0]=3 19344 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [0,1,0,1,0,0|1,0,0]=3 19345 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [0,1,0,1,0,0|1,0,0]=3 19346 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [0,1,0,1,0,0|1,0,0]=3 19347 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [0,1,0,1,0,0|1,0,0]=3 19348 B13R1.1575 CCCC(=O)CN1CCCOCC1 2230a_100000685342_100000747444 [0,1,0,1,0,0|2,0,0]=4 19349 B13R1.1575 CCCC(=O)CN1CCCOCC1 269982a_100000685342_100000747444 [0,1,0,1,0,0|2,0,0]=4 19350 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [0,1,0,1,0,0|1,0,0]=3 19351 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [0,1,0,1,0,0|1,0,0]=3 19352 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [0,1,0,1,0,0|1,0,0]=3 19353 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [0,1,0,1,0,0|1,0,0]=3 19354 B13R1.1575 CCNC(=O)C=C1CCCCCC1 11a_100015525214_100011240665 [0,1,0,1,0,0|1,0,1]=4 19355 B13R1.1575 CCNC(=O)C=C1CCCCCC1 240690a_100015525214_100011240665 [0,1,0,1,0,0|1,0,1]=4 19356 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [0,1,0,1,0,0|1,0,0]=3 19357 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [0,1,0,1,0,0|1,0,0]=3 19358 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [0,1,0,1,0,0|1,0,0]=3 19359 B13R1.1575 CCNC(=O)CN1CCCCCC1 11a_100015525214_100000740298 [0,1,0,1,0,0|1,0,0]=3 19360 B13R1.1575 CCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183381 [0,1,0,1,0,0|1,0,0]=3 19361 B13R1.1575 CCNC(=O)CN1CCCCCC1 240690a_100015525214_100000740298 [0,1,0,1,0,0|1,0,0]=3 19362 B13R1.1575 CCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183381 [0,1,0,1,0,0|1,0,0]=3 19363 B13R1.1575 CCNC(=O)CN1CCCCCC1 34a_100000185865_100000183381 [0,1,0,1,0,0|1,0,0]=3 19364 B13R1.1575 CCNC(=O)CN1CCCCCC1 527a_100015525214_100000740298 [0,1,0,1,0,0|1,0,0]=3 19365 B13R1.1575 CCNC(=O)CN1CCCOCC1 2230a_100000685342_100000183381 [0,1,0,1,0,0|2,0,0]=4 19366 B13R1.1575 CCNC(=O)CN1CCCOCC1 269982a_100000685342_100000183381 [0,1,0,1,0,0|2,0,0]=4 19367 B13R1.1575 CCNC(=O)CN1CCCOCC1 34a_100000685342_100000183381 [0,1,0,1,0,0|2,0,0]=4 19368 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [0,1,0,1,0,0|1,0,0]=3 19369 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [0,1,0,1,0,0|1,0,0]=3 19370 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [0,1,0,1,0,0|1,0,0]=3 19371 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [0,1,0,1,0,0|1,0,0]=3 19372 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [0,1,0,1,0,0|1,0,0]=3 19373 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [0,1,0,1,0,0|0,0,0]=2 19374 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [0,1,0,1,0,0|0,0,0]=2 19375 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [0,1,0,1,0,0|0,0,0]=2 19376 B13R1.1575 CCOC(=O)CN1CCCOCC1 2230a_100000685342_100000188475 [0,1,0,1,0,0|1,0,0]=3 19377 B13R1.1575 CCOC(=O)CN1CCCOCC1 269982a_100000685342_100000188475 [0,1,0,1,0,0|1,0,0]=3 19378 B13R1.1575 CCOC(=O)CN1CCCOCC1 34a_100000685342_100000188475 [0,1,0,1,0,0|1,0,0]=3 19379 B13R1.1575 CNCC(=O)NC1CCCCCC1 2230a_106832991635_100000183474 [0,1,0,1,0,0|2,0,0]=4 19380 B13R1.1575 CNCC(=O)NC1CCCCCC1 34a_100102657272_100000183474 [0,1,0,1,0,0|2,0,0]=4 19381 B13R1.1575 CNCC(=O)NC1CCCCCC1 7a_106832991635_100000183474 [0,1,0,1,0,0|2,0,0]=4 19382 B13R1.1575 CNNC(=O)CC1CCCCCC1 22a_100016993582_100000685095 [0,1,0,1,0,0|2,0,0]=4 19383 B13R1.1575 CNNC(=O)CN1CCCCCC1 22a_100016993582_100000740298 [0,1,0,1,0,0|2,0,0]=4 19384 B13R1.1575 CNNC(=O)NC1CCCCCC1 273464a_100000210984_100016993582 [0,1,0,1,0,0|2,0,0]=4 19385 B13R1.1575 CNNC(=O)NC1CCCCCC1 512a_100016993582_100000210984 [0,1,0,1,0,0|2,0,0]=4 19386 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [0,1,0,1,0,0|2,0,0]=4 19387 B13R1.1575 COCC(=O)NC1CCCCCC1 11a_100000210984_100000210968 [0,1,0,1,0,0|2,0,0]=4 19388 B13R1.1575 COCC(=O)NC1CCCCCC1 1626a_100000210984_100000210968 [0,1,0,1,0,0|2,0,0]=4 19389 B13R1.1575 COCC(=O)NC1CCCCCC1 240690a_100000210984_100000210968 [0,1,0,1,0,0|2,0,0]=4 19390 B13R1.1575 COCC(=O)NC1CCCCCC1 34a_100138415774_100000183474 [0,1,0,1,0,0|2,0,0]=4 19391 B13R1.1575 COCC(=O)NC1CCCCCC1 527a_100000210984_100000210968 [0,1,0,1,0,0|2,0,0]=4 19392 B13R1.1575 CSCC(=O)CC1CCCCCC1 1458a_100000184570_200000696569 [0,1,0,1,0,0|2,0,0]=4 19393 B13R1.1575 CSCC(=O)NC1CCCCCC1 11a_100000210984_100000184570 [0,1,0,1,0,0|2,0,0]=4 19394 B13R1.1575 CSCC(=O)NC1CCCCCC1 1626a_100000210984_100000184570 [0,1,0,1,0,0|2,0,0]=4 19395 B13R1.1575 CSCC(=O)NC1CCCCCC1 240690a_100000210984_100000184570 [0,1,0,1,0,0|2,0,0]=4 19396 B13R1.1575 CSCC(=O)NC1CCCCCC1 527a_100000210984_100000184570 [0,1,0,1,0,0|2,0,0]=4 19397 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_100000183474_200000210301 [0,1,0,1,0,0|2,0,0]=4 19398 B13R1.1575 CSCC(=O)NC1CCCCCC1 62a_200000210301_100000183474 [0,1,0,1,0,0|2,0,0]=4 19399 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [0,1,0,1,0,0|2,0,0]=4 19400 B13R1.1575 O=C(CCF)CN1CCCCCC1 1458a_100000740298_100011217306 [0,1,0,1,0,0|2,0,0]=4 19401 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [0,1,0,1,0,0|2,0,0]=4 19402 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [0,1,0,1,0,0|2,0,0]=4 19403 B13R1.1575 O=C(CCO)CN1CCCCCC1 1458a_100000740298_100000211926 [0,1,0,1,0,0|2,0,0]=4 19404 B13R1.1575 O=C(CCO)NC1CCCCCC1 240690a_100000210984_100011216618 [0,1,0,1,0,0|2,0,0]=4 19405 B13R1.1575 O=C(CN1CCCCCC1)NCO 2230a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 19406 B13R1.1575 O=C(CN1CCCCCC1)NCO 269982a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 19407 B13R1.1575 O=C(CN1CCCCCC1)NCO 34a_100000185865_100000185155 [0,1,0,1,0,0|2,0,0]=4 19408 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_100000183474_200025704644 [0,1,0,1,0,0|2,0,0]=4 19409 B13R1.1575 [13CH3]SCC(=O)NC1CCCCCC1 62a_200025704644_100000183474 [0,1,0,1,0,0|2,0,0]=4 19410 B13R1.1892 CCCCCCN1CC(C1)OCC 269982a_100000732654_100000210757 [0,1,0,1,0,0|1,0,1]=4 19411 B13R1.1892 CCCCCCN1CC(C1)OCC 34a_100000732654_100000210314 [0,1,0,1,0,0|1,0,1]=4 19412 B13R1.3151 C#CCCCCCCC(=O)C1CC1 1458a_100000210395_100012276617 [0,1,0,1,0,0|1,0,1]=4 19413 B13R1.3151 C=CCCCCCCC(=O)C1CC1 1458a_100000210395_100011215473 [0,1,0,1,0,0|1,0,1]=4 19414 B13R1.3151 CCCCCC#CCC(=O)C1CC1 1458a_100000210395_100009816472 [0,1,0,1,0,0|1,0,1]=4 19415 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [0,1,0,1,0,0|1,0,0]=3 19416 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [0,1,0,1,0,0|2,0,0]=4 19417 B13R1.3151 CCCCCCCNC(=O)C1CC1 11a_100000229938_100000210395 [0,1,0,1,0,0|1,0,0]=3 19418 B13R1.3151 CCCCCCCNC(=O)C1CC1 1626a_100000229938_100000210395 [0,1,0,1,0,0|1,0,0]=3 19419 B13R1.3151 CCCCCCCNC(=O)C1CC1 240690a_100000229938_100000210395 [0,1,0,1,0,0|1,0,0]=3 19420 B13R1.3151 CCCCCCCNC(=O)C1CC1 527a_100000229938_100000210395 [0,1,0,1,0,0|1,0,0]=3 19421 B13R1.3151 CCCCCCCNC(=O)C1CO1 11a_100000229938_100000701028 [0,1,0,1,0,0|2,0,0]=4 19422 B13R1.3151 CCCCCCCNC(=O)C1CO1 1626a_100000229938_100000701028 [0,1,0,1,0,0|2,0,0]=4 19423 B13R1.3151 CCCCCCCNC(=O)C1CO1 240690a_100000229938_100000701028 [0,1,0,1,0,0|2,0,0]=4 19424 B13R1.3151 CCCCCCCNC(=O)C1CO1 527a_100000229938_100000701028 [0,1,0,1,0,0|2,0,0]=4 19425 B13R1.3151 CCCCCCNCC(=O)C1CC1 2230a_100000210581_100000746382 [0,1,0,1,0,0|1,0,0]=3 19426 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000210259_100000746382 [0,1,0,1,0,0|1,0,0]=3 19427 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000686663_100000210314 [0,1,0,1,0,0|1,0,0]=3 19428 B13R1.3151 CCCCCCOCC(=O)C1CC1 7a_100000210259_100000746382 [0,1,0,1,0,0|1,0,0]=3 19429 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000210314_100000746382 [0,1,0,1,0,0|1,0,0]=3 19430 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000746382_100000210757 [0,1,0,1,0,0|1,0,0]=3 19431 B13R1.3151 CCCCCNCOC(=O)C1CC1 2230a_100000209983_100000140896 [0,1,0,1,0,0|2,0,0]=4 19432 B13R1.3151 CCCCCOCOC(=O)C1CC1 34a_100000210253_100000140896 [0,1,0,1,0,0|2,0,0]=4 19433 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000140896_100000210326 [0,1,0,1,0,0|2,0,0]=4 19434 B13R1.3151 CCCCCSCOC(=O)C1CC1 62a_100000210326_100000140896 [0,1,0,1,0,0|2,0,0]=4 19435 B13R1.3151 CCCCOCOCC(=O)C1CC1 34a_100000686663_100011995733 [0,1,0,1,0,0|2,0,0]=4 19436 B13R1.3151 CCCCOCSCC(=O)C1CC1 62a_100000746382_100011995733 [0,1,0,1,0,0|2,0,0]=4 19437 B13R1.3151 CCCCOCSCC(=O)C1CC1 62a_100011995733_100000746382 [0,1,0,1,0,0|2,0,0]=4 19438 B13R1.3151 CCCCSCCNC(=O)C1CC1 11a_100025743550_100000210395 [0,1,0,1,0,0|2,0,0]=4 19439 B13R1.3151 CCCCSCCNC(=O)C1CC1 1626a_100025743550_100000210395 [0,1,0,1,0,0|2,0,0]=4 19440 B13R1.3151 CCCCSCCNC(=O)C1CC1 240690a_100025743550_100000210395 [0,1,0,1,0,0|2,0,0]=4 19441 B13R1.3151 CCCCSCCNC(=O)C1CC1 527a_100025743550_100000210395 [0,1,0,1,0,0|2,0,0]=4 19442 B13R1.3151 CCCOCCCNC(=O)C1CC1 1626a_100011217757_100000210395 [0,1,0,1,0,0|2,0,0]=4 19443 B13R1.3151 CCCOCCCNC(=O)C1CC1 240690a_100011217757_100000210395 [0,1,0,1,0,0|2,0,0]=4 19444 B13R1.3151 CCCOCCCNC(=O)C1CC1 527a_100011217757_100000210395 [0,1,0,1,0,0|2,0,0]=4 19445 B13R1.3151 CCCOCCNCC(=O)C1CC1 2230a_100161115042_100000746382 [0,1,0,1,0,0|2,0,0]=4 19446 B13R1.3151 CCCOCCNCC(=O)C1CC1 34a_100161115042_100000746382 [0,1,0,1,0,0|2,0,0]=4 19447 B13R1.3151 CCCOCCOCC(=O)C1CC1 34a_100000686663_100011215938 [0,1,0,1,0,0|2,0,0]=4 19448 B13R1.3151 CCCOCCOCC(=O)C1CC1 34a_100000752267_100000746382 [0,1,0,1,0,0|2,0,0]=4 19449 B13R1.3151 CCCOCCOCC(=O)C1CC1 7a_100000752267_100000746382 [0,1,0,1,0,0|2,0,0]=4 19450 B13R1.3151 CCCOCCSCC(=O)C1CC1 62a_100000746382_100011215938 [0,1,0,1,0,0|2,0,0]=4 19451 B13R1.3151 CCCOCCSCC(=O)C1CC1 62a_100011215938_100000746382 [0,1,0,1,0,0|2,0,0]=4 19452 B13R1.3151 CCCSCCNCC(=O)C1CC1 2230a_100020603323_100000746382 [0,1,0,1,0,0|2,0,0]=4 19453 B13R1.3151 CCCSCCOCC(=O)C1CC1 34a_200000230433_100000746382 [0,1,0,1,0,0|2,0,0]=4 19454 B13R1.3151 CCCSCCOCC(=O)C1CC1 7a_200000230433_100000746382 [0,1,0,1,0,0|2,0,0]=4 19455 B13R1.3151 CCOCCCNCC(=O)C1CC1 2230a_100000210961_100000746382 [0,1,0,1,0,0|2,0,0]=4 19456 B13R1.3151 CCOCCCNCC(=O)C1CC1 34a_100000210961_100000746382 [0,1,0,1,0,0|2,0,0]=4 19457 B13R1.3151 CCOCCCOCC(=O)C1CC1 34a_100000686663_100012232248 [0,1,0,1,0,0|2,0,0]=4 19458 B13R1.3151 CCOCCCOCC(=O)C1CC1 34a_100000757476_100000746382 [0,1,0,1,0,0|2,0,0]=4 19459 B13R1.3151 CCOCCCOCC(=O)C1CC1 7a_100000757476_100000746382 [0,1,0,1,0,0|2,0,0]=4 19460 B13R1.3151 CCOCCCSCC(=O)C1CC1 62a_100000746382_100012232248 [0,1,0,1,0,0|2,0,0]=4 19461 B13R1.3151 CCOCCCSCC(=O)C1CC1 62a_100012232248_100000746382 [0,1,0,1,0,0|2,0,0]=4 19462 B13R1.3151 CCOCCOCCC(=O)C1CC1 1458a_100000210395_100011211534 [0,1,0,1,0,0|2,0,0]=4 19463 B13R1.3151 CCSCCCOCC(=O)C1CC1 34a_100011216438_100000746382 [0,1,0,1,0,0|2,0,0]=4 19464 B13R1.3151 CCSCCCOCC(=O)C1CC1 7a_100011216438_100000746382 [0,1,0,1,0,0|2,0,0]=4 19465 B13R1.3151 COCCCCCCC(=O)C1CC1 1458a_100000210395_100011998445 [0,1,0,1,0,0|1,0,0]=3 19466 B13R1.3151 COCCCCCCC(=O)C1CO1 1458a_100000701028_100011998445 [0,1,0,1,0,0|2,0,0]=4 19467 B13R1.3151 COCCCCCNC(=O)C1CC1 11a_100000747528_100000210395 [0,1,0,1,0,0|2,0,0]=4 19468 B13R1.3151 COCCCCCNC(=O)C1CC1 1626a_100000747528_100000210395 [0,1,0,1,0,0|2,0,0]=4 19469 B13R1.3151 COCCCCCNC(=O)C1CC1 240690a_100000747528_100000210395 [0,1,0,1,0,0|2,0,0]=4 19470 B13R1.3151 COCCCCCNC(=O)C1CC1 527a_100000747528_100000210395 [0,1,0,1,0,0|2,0,0]=4 19471 B13R1.3151 COCCCCOCC(=O)C1CC1 34a_100000686663_100000755781 [0,1,0,1,0,0|2,0,0]=4 19472 B13R1.3151 COCCCCOCC(=O)C1CC1 34a_100000740925_100000746382 [0,1,0,1,0,0|2,0,0]=4 19473 B13R1.3151 COCCCCSCC(=O)C1CC1 62a_100000730899_100000746382 [0,1,0,1,0,0|2,0,0]=4 19474 B13R1.3151 COCCCCSCC(=O)C1CC1 62a_100000746382_100000730899 [0,1,0,1,0,0|2,0,0]=4 19475 B13R1.3151 COCCOCCCC(=O)C1CC1 1458a_100000210395_100011216529 [0,1,0,1,0,0|2,0,0]=4 19476 B13R1.3151 CSCCCCOCC(=O)C1CC1 34a_100011217163_100000746382 [0,1,0,1,0,0|2,0,0]=4 19477 B13R1.3151 CSCCCCOCC(=O)C1CC1 7a_100011217163_100000746382 [0,1,0,1,0,0|2,0,0]=4 19478 B13R1.3151 N#CCCCCCCC(=O)C1CC1 1458a_100000210395_100009813337 [0,1,0,1,0,0|1,0,1]=4 19479 B13R1.3151 NCCCCCOCC(=O)C1CC1 34a_100000762737_100000746382 [0,1,0,1,0,0|2,0,0]=4 19480 B13R1.3151 O=C(CCCCCCCO)C1CC1 1458a_100000210395_100000760002 [0,1,0,1,0,0|1,0,0]=3 19481 B13R1.3151 O=C(CCCCCCCO)C1CO1 1458a_100000701028_100000760002 [0,1,0,1,0,0|2,0,0]=4 19482 B13R1.3151 O=C(CNCCCCCO)C1CC1 2230a_100000762737_100000746382 [0,1,0,1,0,0|2,0,0]=4 19483 B13R1.3151 O=C(CNCCCCCO)C1CC1 34a_100000762737_100000746382 [0,1,0,1,0,0|2,0,0]=4 19484 B13R1.3151 O=C(COCCCCCBr)C1CC1 34a_100000746331_100000746382 [0,1,0,1,0,0|2,0,0]=4 19485 B13R1.3151 O=C(COCCCCCBr)C1CC1 7a_100000746331_100000746382 [0,1,0,1,0,0|2,0,0]=4 19486 B13R1.3151 O=C(COCCCCCCl)C1CC1 34a_100000746330_100000746382 [0,1,0,1,0,0|2,0,0]=4 19487 B13R1.3151 O=C(COCCCCCCl)C1CC1 7a_100000746330_100000746382 [0,1,0,1,0,0|2,0,0]=4 19488 B13R1.3151 O=C(COCCCCCF)C1CC1 34a_100000686663_100000729378 [0,1,0,1,0,0|2,0,0]=4 19489 B13R1.3151 O=C(COCCCCCI)C1CC1 34a_200012148887_100000746382 [0,1,0,1,0,0|2,0,0]=4 19490 B13R1.3151 O=C(COCCCCCI)C1CC1 7a_200012148887_100000746382 [0,1,0,1,0,0|2,0,0]=4 19491 B13R1.3151 O=C(COCCCCCO)C1CC1 34a_100000686663_100000746330 [0,1,0,1,0,0|2,0,0]=4 19492 B13R1.3151 O=C(CSCCCCCF)C1CC1 62a_100000729378_100000746382 [0,1,0,1,0,0|2,0,0]=4 19493 B13R1.3151 O=C(CSCCCCCF)C1CC1 62a_100000746382_100000729378 [0,1,0,1,0,0|2,0,0]=4 19494 B13R1.3151 O=C(CSCCCCCO)C1CC1 62a_100000746330_100000746382 [0,1,0,1,0,0|2,0,0]=4 19495 B13R1.3151 O=C(CSCCCCCO)C1CC1 62a_100000746382_100000746330 [0,1,0,1,0,0|2,0,0]=4 19496 B13R1.3151 O=C(NCCCCCCO)C1CC1 240690a_100000686447_100000210395 [0,1,0,1,0,0|2,0,0]=4 19497 B13R1.3151 O=C(NCCCCCCO)C1CC1 527a_100000686447_100000210395 [0,1,0,1,0,0|2,0,0]=4 19498 B13R1.3516 CCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210211 [0,1,0,1,0,0|2,0,0]=4 19499 B13R1.3516 CCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210211 [0,1,0,1,0,0|2,0,0]=4 19500 B13R1.3516 CCCCN1CCNC(=O)C1CC 34a_100000187962_100000210210 [0,1,0,1,0,0|2,0,0]=4 19501 B13R1.27 CCCCCCCc1nc(no1)C 270196a_100000212224_100000211969 [0,1,0,1,0,0|1,0,1]=4 19502 B13R1.27 CCCCCCCc1noc(n1)C 270196a_200011216759_100000070787 [0,1,0,1,0,0|1,0,1]=4 19503 B13R1.201 C=C(C)CC(=O)C1CCCCC1C 1458a_100011215568_100000748629 [0,1,0,1,0,0|1,0,1]=4 19504 B13R1.201 CC(C)CC(=O)C1CCCCC1C 1458a_100011215568_100000210624 [0,1,0,1,0,0|1,0,0]=3 19505 B13R1.201 CC(C)CC(=O)C1CCCCC1O 1458a_100011803323_100000210624 [0,1,0,1,0,0|2,0,0]=4 19506 B13R1.201 CC(C)CC(=O)N1CCCCC1C 11a_100000211376_100000210554 [0,1,0,1,0,0|2,0,0]=4 19507 B13R1.201 CC(C)CC(=O)N1CCCCC1C 1626a_100000211376_100000210554 [0,1,0,1,0,0|2,0,0]=4 19508 B13R1.201 CC(C)CC(=O)N1CCCCC1C 240690a_100000211376_100000210554 [0,1,0,1,0,0|2,0,0]=4 19509 B13R1.201 CC(C)CC(=O)N1CCCCC1C 527a_100000211376_100000210554 [0,1,0,1,0,0|2,0,0]=4 19510 B13R1.201 CC(C)CC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210624 [0,1,0,1,0,0|2,0,0]=4 19511 B13R1.201 CC(C)NC(=O)C1CCCCC1C 11a_100138425928_100011215568 [0,1,0,1,0,0|1,0,0]=3 19512 B13R1.201 CC(C)NC(=O)C1CCCCC1C 1626a_100138425928_100011215568 [0,1,0,1,0,0|1,0,0]=3 19513 B13R1.201 CC(C)NC(=O)C1CCCCC1C 240690a_100138425928_100011215568 [0,1,0,1,0,0|1,0,0]=3 19514 B13R1.201 CC(C)NC(=O)C1CCCCC1C 527a_100138425928_100011215568 [0,1,0,1,0,0|1,0,0]=3 19515 B13R1.201 CC(C)NC(=O)N1CCCCC1C 2708a_100138425928_100000211376 [0,1,0,1,0,0|2,0,0]=4 19516 B13R1.201 CC(C)NC(=O)N1CCCCC1C 273464a_100138425928_100000211376 [0,1,0,1,0,0|2,0,0]=4 19517 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C 11a_100138425928_100000767060 [0,1,0,1,0,0|2,0,0]=4 19518 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C 1626a_100138425928_100000767060 [0,1,0,1,0,0|2,0,0]=4 19519 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C 240690a_100138425928_100000767060 [0,1,0,1,0,0|2,0,0]=4 19520 B13R1.201 CC(C)NC(=O)[C@H]1CCCCN1C 527a_100138425928_100000767060 [0,1,0,1,0,0|2,0,0]=4 19521 B13R1.201 CC(O)CC(=O)C1CCCCC1C 1458a_100011215568_100011218427 [0,1,0,1,0,0|1,0,0]=3 19522 B13R1.201 CC(O)CC(=O)C1CCCCC1O 1458a_100011803323_100011218427 [0,1,0,1,0,0|2,0,0]=4 19523 B13R1.201 CC(O)CC(=O)[C@H]1CCCCN1C 1458a_100000767060_100011218427 [0,1,0,1,0,0|2,0,0]=4 19524 B13R1.201 CC1CCCCC1C(=O)CC(F)F 1458a_100011215568_100011934356 [0,1,0,1,0,0|2,0,0]=4 19525 B13R1.201 CC1CCCCN1C(=O)C[C@@H](C)O 240690a_100000211376_100011933948 [0,1,0,1,0,0|2,0,0]=4 19526 B13R1.282 CC(C)NC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183996 [0,1,0,1,0,0|2,0,0]=4 19527 B13R1.282 CC(C)NC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183996 [0,1,0,1,0,0|2,0,0]=4 19528 B13R1.282 CC(C)NC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183996 [0,1,0,1,0,0|2,0,0]=4 19529 B13R1.282 CC(C)NC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183996 [0,1,0,1,0,0|2,0,0]=4 19530 B13R1.282 CC(C)NC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183996 [0,1,0,1,0,0|2,0,0]=4 19531 B13R1.282 CC(C)OC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100011215430 [0,1,0,1,0,0|1,0,0]=3 19532 B13R1.282 CC(C)OC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100011215430 [0,1,0,1,0,0|1,0,0]=3 19533 B13R1.282 CC(C)OC(=O)CN1CCC[C@H]1C 2230a_100015189458_100011215430 [0,1,0,1,0,0|1,0,0]=3 19534 B13R1.282 CC(C)OC(=O)CN1CCC[C@H]1C 269982a_100015189458_100011215430 [0,1,0,1,0,0|1,0,0]=3 19535 B13R1.282 CC(C)OC(=O)CN1CCC[C@H]1C 34a_100015189458_100011215430 [0,1,0,1,0,0|1,0,0]=3 19536 B13R1.282 CC(C)OC(=O)CN1CCSC1C 2230a_200011216479_100011215430 [0,1,0,1,0,0|2,0,0]=4 19537 B13R1.282 CC(C)OC(=O)CN1CCSC1C 269982a_200011216479_100011215430 [0,1,0,1,0,0|2,0,0]=4 19538 B13R1.282 CC(C)OC(=O)CN1CCSC1C 34a_200011216479_100011215430 [0,1,0,1,0,0|2,0,0]=4 19539 B13R1.296 CC(C)NC(=O)CCN1CCC1C 269982a_100000755817_100000737564 [0,1,0,1,0,0|2,0,0]=4 19540 B13R1.296 CC(C)OC(=O)CCN1CCC1C 269982a_100000755817_100000760027 [0,1,0,1,0,0|1,0,0]=3 19541 B13R1.296 CC(C)OC(=O)OCN1CCC1C 269982a_100000755817_100010125566 [0,1,0,1,0,0|2,0,0]=4 19542 B13R1.348 C=C(C)CC(=O)CC1CCCCC1 1458a_100000211666_100000748629 [0,1,0,1,0,0|1,0,1]=4 19543 B13R1.348 CC(=CC(=O)CC1CCCCC1)C 1458a_100000211388_100000211423 [0,1,0,1,0,0|1,0,1]=4 19544 B13R1.348 CC(=CC(=O)CC1CCCCC1)Cl 1458a_200042562850_100000211423 [0,1,0,1,0,0|1,0,1]=4 19545 B13R1.348 CC(=CC(=O)CC1CCCCC1)I 1458a_100025716642_100000211423 [0,1,0,1,0,0|1,0,1]=4 19546 B13R1.348 CC(C)CC(=O)CC1CCCCC1 1458a_100000210554_100000211423 [0,1,0,1,0,0|1,0,0]=3 19547 B13R1.348 CC(C)CC(=O)CC1CCCCC1 1458a_100000211666_100000210624 [0,1,0,1,0,0|1,0,0]=3 19548 B13R1.348 CC(C)CC(=O)CC1CCCCO1 1458a_100000210554_100000211543 [0,1,0,1,0,0|2,0,0]=4 19549 B13R1.348 CC(C)CC(=O)CC1CCCCO1 1458a_100000238585_100000210624 [0,1,0,1,0,0|2,0,0]=4 19550 B13R1.348 CC(C)CC(=O)CC1CCCOC1 1458a_100000210554_100000741521 [0,1,0,1,0,0|2,0,0]=4 19551 B13R1.348 CC(C)CC(=O)CC1CCCOC1 1458a_100000741523_100000210624 [0,1,0,1,0,0|2,0,0]=4 19552 B13R1.348 CC(C)CC(=O)CC1CCOCC1 1458a_100000210554_100000754603 [0,1,0,1,0,0|2,0,0]=4 19553 B13R1.348 CC(C)CC(=O)CC1CCOCC1 1458a_100000757261_100000210624 [0,1,0,1,0,0|2,0,0]=4 19554 B13R1.348 CC(C)CC(=O)CN1CCCCC1 1458a_100000740322_100000210624 [0,1,0,1,0,0|2,0,0]=4 19555 B13R1.348 CC(C)CC(=O)NC1CCCCC1 11a_100000182618_100000210554 [0,1,0,1,0,0|2,0,0]=4 19556 B13R1.348 CC(C)CC(=O)NC1CCCCC1 1626a_100000182618_100000210554 [0,1,0,1,0,0|2,0,0]=4 19557 B13R1.348 CC(C)CC(=O)NC1CCCCC1 240690a_100000182618_100000210554 [0,1,0,1,0,0|2,0,0]=4 19558 B13R1.348 CC(C)CC(=O)NC1CCCCC1 527a_100000182618_100000210554 [0,1,0,1,0,0|2,0,0]=4 19559 B13R1.348 CC(C)NC(=O)CC1CCCCC1 11a_100138425928_100000211666 [0,1,0,1,0,0|1,0,0]=3 19560 B13R1.348 CC(C)NC(=O)CC1CCCCC1 1626a_100138425928_100000211666 [0,1,0,1,0,0|1,0,0]=3 19561 B13R1.348 CC(C)NC(=O)CC1CCCCC1 240690a_100138425928_100000211666 [0,1,0,1,0,0|1,0,0]=3 19562 B13R1.348 CC(C)NC(=O)CC1CCCCC1 527a_100138425928_100000211666 [0,1,0,1,0,0|1,0,0]=3 19563 B13R1.348 CC(C)NC(=O)CC1CCCCO1 11a_100138425928_100000238585 [0,1,0,1,0,0|2,0,0]=4 19564 B13R1.348 CC(C)NC(=O)CC1CCCCO1 1626a_100138425928_100000238585 [0,1,0,1,0,0|2,0,0]=4 19565 B13R1.348 CC(C)NC(=O)CC1CCCCO1 240690a_100138425928_100000238585 [0,1,0,1,0,0|2,0,0]=4 19566 B13R1.348 CC(C)NC(=O)CC1CCCCO1 527a_100138425928_100000238585 [0,1,0,1,0,0|2,0,0]=4 19567 B13R1.348 CC(C)NC(=O)CC1CCCOC1 11a_100138425928_100000741523 [0,1,0,1,0,0|2,0,0]=4 19568 B13R1.348 CC(C)NC(=O)CC1CCCOC1 1626a_100138425928_100000741523 [0,1,0,1,0,0|2,0,0]=4 19569 B13R1.348 CC(C)NC(=O)CC1CCCOC1 240690a_100138425928_100000741523 [0,1,0,1,0,0|2,0,0]=4 19570 B13R1.348 CC(C)NC(=O)CC1CCCOC1 527a_100138425928_100000741523 [0,1,0,1,0,0|2,0,0]=4 19571 B13R1.348 CC(C)NC(=O)CC1CCOCC1 11a_100138425928_100000757261 [0,1,0,1,0,0|2,0,0]=4 19572 B13R1.348 CC(C)NC(=O)CC1CCOCC1 1626a_100138425928_100000757261 [0,1,0,1,0,0|2,0,0]=4 19573 B13R1.348 CC(C)NC(=O)CC1CCOCC1 240690a_100138425928_100000757261 [0,1,0,1,0,0|2,0,0]=4 19574 B13R1.348 CC(C)NC(=O)CC1CCOCC1 527a_100138425928_100000757261 [0,1,0,1,0,0|2,0,0]=4 19575 B13R1.348 CC(C)NC(=O)CN1CCCCC1 11a_100138425928_100000740322 [0,1,0,1,0,0|2,0,0]=4 19576 B13R1.348 CC(C)NC(=O)CN1CCCCC1 240690a_100138425928_100000740322 [0,1,0,1,0,0|2,0,0]=4 19577 B13R1.348 CC(C)NC(=O)CN1CCCCC1 527a_100138425928_100000740322 [0,1,0,1,0,0|2,0,0]=4 19578 B13R1.348 CC(C)NC(=O)NC1CCCCC1 2708a_100000182618_100138425928 [0,1,0,1,0,0|2,0,0]=4 19579 B13R1.348 CC(C)NC(=O)NC1CCCCC1 2708a_100138425928_100000182618 [0,1,0,1,0,0|2,0,0]=4 19580 B13R1.348 CC(C)NC(=O)NC1CCCCC1 273464a_100138425928_100000182618 [0,1,0,1,0,0|2,0,0]=4 19581 B13R1.348 CC(C)OC(=O)CN1CCCOC1 2230a_100000131196_100011215430 [0,1,0,1,0,0|2,0,0]=4 19582 B13R1.348 CC(C)OC(=O)CN1CCCOC1 269982a_100000131196_100011215430 [0,1,0,1,0,0|2,0,0]=4 19583 B13R1.348 CC(C)OC(=O)CN1CCCOC1 34a_100000131196_100011215430 [0,1,0,1,0,0|2,0,0]=4 19584 B13R1.348 CC(C)OC(=O)CN1CCOCC1 2230a_100015191051_100011215430 [0,1,0,1,0,0|2,0,0]=4 19585 B13R1.348 CC(C)OC(=O)CN1CCOCC1 269982a_100015191051_100011215430 [0,1,0,1,0,0|2,0,0]=4 19586 B13R1.348 CC(C)OC(=O)CN1CCOCC1 34a_100015191051_100011215430 [0,1,0,1,0,0|2,0,0]=4 19587 B13R1.348 CC(C)OC(=O)CN1CCSCC1 2230a_100000737611_100011215430 [0,1,0,1,0,0|2,0,0]=4 19588 B13R1.348 CC(C)OC(=O)CN1CCSCC1 269982a_100000737611_100011215430 [0,1,0,1,0,0|2,0,0]=4 19589 B13R1.348 CC(O)CC(=O)CC1CCCCC1 1458a_100000211666_100011218427 [0,1,0,1,0,0|1,0,0]=3 19590 B13R1.348 CC(O)CC(=O)CC1CCCCO1 1458a_100000238585_100011218427 [0,1,0,1,0,0|2,0,0]=4 19591 B13R1.348 CC(O)CC(=O)CC1CCCOC1 1458a_100000741523_100011218427 [0,1,0,1,0,0|2,0,0]=4 19592 B13R1.348 CC(O)CC(=O)CC1CCOCC1 1458a_100000757261_100011218427 [0,1,0,1,0,0|2,0,0]=4 19593 B13R1.348 CC(O)CC(=O)CN1CCCCC1 1458a_100000740322_100011218427 [0,1,0,1,0,0|2,0,0]=4 19594 B13R1.348 CN(C)CC(=O)CC1CCCCC1 1458a_100000750896_100000211423 [0,1,0,1,0,0|2,0,0]=4 19595 B13R1.348 C[C@@H](O)CC(=O)CC1CCCCC1 1458a_100011933948_100000211423 [0,1,0,1,0,0|1,0,0]=3 19596 B13R1.348 C[C@@H](O)CC(=O)CC1CCCCO1 1458a_100011933948_100000211543 [0,1,0,1,0,0|2,0,0]=4 19597 B13R1.348 C[C@@H](O)CC(=O)CC1CCCOC1 1458a_100011933948_100000741521 [0,1,0,1,0,0|2,0,0]=4 19598 B13R1.348 C[C@@H](O)CC(=O)CC1CCOCC1 1458a_100011933948_100000754603 [0,1,0,1,0,0|2,0,0]=4 19599 B13R1.348 C[C@@H](O)CC(=O)NC1CCCCC1 240690a_100000182618_100011933948 [0,1,0,1,0,0|2,0,0]=4 19600 B13R1.348 C[S+](C)CC(=O)CC1CCCCC1 1458a_200159257847_100000211423 [0,1,0,1,0,0|2,0,0]=4 19601 B13R1.348 O=C(CC(F)F)CC1CCCCC1 1458a_100000211666_100011934356 [0,1,0,1,0,0|2,0,0]=4 19602 B13R1.593 C=C(C)CC(=O)CCC1CCCC1 1458a_100000211120_100000748629 [0,1,0,1,0,0|1,0,1]=4 19603 B13R1.593 CC(=CC(=O)CCC1CCCC1)C 1458a_100000211388_100000760354 [0,1,0,1,0,0|1,0,1]=4 19604 B13R1.593 CC(=CC(=O)CCC1CCCC1)Cl 1458a_200042562850_100000760354 [0,1,0,1,0,0|1,0,1]=4 19605 B13R1.593 CC(=CC(=O)CCC1CCCC1)I 1458a_100025716642_100000760354 [0,1,0,1,0,0|1,0,1]=4 19606 B13R1.593 CC(C)CC(=O)CCC1CCCC1 1458a_100000210554_100000760354 [0,1,0,1,0,0|1,0,0]=3 19607 B13R1.593 CC(C)CC(=O)CCC1CCCC1 1458a_100000211120_100000210624 [0,1,0,1,0,0|1,0,0]=3 19608 B13R1.593 CC(C)CC(=O)CCC1CCCO1 1458a_100011247709_100000210624 [0,1,0,1,0,0|2,0,0]=4 19609 B13R1.593 CC(C)CC(=O)CCN1CCCC1 1458a_100000210554_100000004467 [0,1,0,1,0,0|2,0,0]=4 19610 B13R1.593 CC(C)CC(=O)CCN1CCCC1 1458a_100000738983_100000210624 [0,1,0,1,0,0|2,0,0]=4 19611 B13R1.593 CC(C)CC(=O)COC1CCCC1 1458a_100000741352_100000210624 [0,1,0,1,0,0|2,0,0]=4 19612 B13R1.593 CC(C)CC(=O)NCC1CCCC1 11a_100000737975_100000210554 [0,1,0,1,0,0|2,0,0]=4 19613 B13R1.593 CC(C)CC(=O)NCC1CCCC1 1626a_100000737975_100000210554 [0,1,0,1,0,0|2,0,0]=4 19614 B13R1.593 CC(C)CC(=O)NCC1CCCC1 240690a_100000737975_100000210554 [0,1,0,1,0,0|2,0,0]=4 19615 B13R1.593 CC(C)CC(=O)NCC1CCCC1 527a_100000737975_100000210554 [0,1,0,1,0,0|2,0,0]=4 19616 B13R1.593 CC(C)NC(=O)CCC1CCCC1 11a_100138425928_100000211120 [0,1,0,1,0,0|1,0,0]=3 19617 B13R1.593 CC(C)NC(=O)CCC1CCCC1 1626a_100138425928_100000211120 [0,1,0,1,0,0|1,0,0]=3 19618 B13R1.593 CC(C)NC(=O)CCC1CCCC1 240690a_100138425928_100000211120 [0,1,0,1,0,0|1,0,0]=3 19619 B13R1.593 CC(C)NC(=O)CCC1CCCC1 527a_100138425928_100000211120 [0,1,0,1,0,0|1,0,0]=3 19620 B13R1.593 CC(C)NC(=O)CCC1CCCO1 11a_100138425928_100011247709 [0,1,0,1,0,0|2,0,0]=4 19621 B13R1.593 CC(C)NC(=O)CCC1CCCO1 1626a_100138425928_100011247709 [0,1,0,1,0,0|2,0,0]=4 19622 B13R1.593 CC(C)NC(=O)CCC1CCCO1 240690a_100138425928_100011247709 [0,1,0,1,0,0|2,0,0]=4 19623 B13R1.593 CC(C)NC(=O)CCC1CCCO1 527a_100138425928_100011247709 [0,1,0,1,0,0|2,0,0]=4 19624 B13R1.593 CC(C)NC(=O)CCN1CCCC1 2230a_100000188435_100000737564 [0,1,0,1,0,0|2,0,0]=4 19625 B13R1.593 CC(C)NC(=O)CCN1CCCC1 240690a_100138425928_100000738983 [0,1,0,1,0,0|2,0,0]=4 19626 B13R1.593 CC(C)NC(=O)CCN1CCCC1 269982a_100000188435_100000737564 [0,1,0,1,0,0|2,0,0]=4 19627 B13R1.593 CC(C)NC(=O)CNC1CCCC1 2230a_100000168517_100000179811 [0,1,0,1,0,0|2,0,0]=4 19628 B13R1.593 CC(C)NC(=O)CNC1CCCC1 2230a_100000211070_100000183996 [0,1,0,1,0,0|2,0,0]=4 19629 B13R1.593 CC(C)NC(=O)CNC1CCCC1 270004a_100000168517_100000210133 [0,1,0,1,0,0|2,0,0]=4 19630 B13R1.593 CC(C)NC(=O)CNC1CCCC1 34a_100000211070_100000183996 [0,1,0,1,0,0|2,0,0]=4 19631 B13R1.593 CC(C)NC(=O)COC1CCCC1 11a_100138425928_100000741352 [0,1,0,1,0,0|2,0,0]=4 19632 B13R1.593 CC(C)NC(=O)COC1CCCC1 1626a_100138425928_100000741352 [0,1,0,1,0,0|2,0,0]=4 19633 B13R1.593 CC(C)NC(=O)COC1CCCC1 240690a_100138425928_100000741352 [0,1,0,1,0,0|2,0,0]=4 19634 B13R1.593 CC(C)NC(=O)COC1CCCC1 34a_100000210269_100000183996 [0,1,0,1,0,0|2,0,0]=4 19635 B13R1.593 CC(C)NC(=O)COC1CCCC1 527a_100138425928_100000741352 [0,1,0,1,0,0|2,0,0]=4 19636 B13R1.593 CC(C)NC(=O)COC1CCCC1 7a_100000210269_100000183996 [0,1,0,1,0,0|2,0,0]=4 19637 B13R1.593 CC(C)NC(=O)CSC1CCCC1 62a_100000183996_100000179811 [0,1,0,1,0,0|2,0,0]=4 19638 B13R1.593 CC(C)NC(=O)CSC1CCCC1 62a_100011217020_100000183996 [0,1,0,1,0,0|2,0,0]=4 19639 B13R1.593 CC(C)NC(=O)NCC1CCCC1 2708a_100000737975_100138425928 [0,1,0,1,0,0|2,0,0]=4 19640 B13R1.593 CC(C)NC(=O)NCC1CCCC1 2708a_100138425928_100000737975 [0,1,0,1,0,0|2,0,0]=4 19641 B13R1.593 CC(C)NC(=O)NCC1CCCC1 273464a_100138425928_100000737975 [0,1,0,1,0,0|2,0,0]=4 19642 B13R1.593 CC(C)NC(=O)NCC1CCCC1 512a_100000737975_100138425928 [0,1,0,1,0,0|2,0,0]=4 19643 B13R1.593 CC(C)NC(=O)NCC1CCCC1 512a_100138425928_100000737975 [0,1,0,1,0,0|2,0,0]=4 19644 B13R1.593 CC(C)OC(=O)CCN1CCCC1 2230a_100000188435_100000760027 [0,1,0,1,0,0|1,0,0]=3 19645 B13R1.593 CC(C)OC(=O)CCN1CCCC1 269982a_100000188435_100000760027 [0,1,0,1,0,0|1,0,0]=3 19646 B13R1.593 CC(C)OC(=O)CCN1CCSC1 2230a_100011215254_100000760027 [0,1,0,1,0,0|2,0,0]=4 19647 B13R1.593 CC(C)OC(=O)CCN1CCSC1 269982a_100011215254_100000760027 [0,1,0,1,0,0|2,0,0]=4 19648 B13R1.593 CC(C)OC(=O)CNC1CCCC1 2230a_100000211070_100011215430 [0,1,0,1,0,0|1,0,0]=3 19649 B13R1.593 CC(C)OC(=O)CNC1CCCC1 34a_100000211070_100011215430 [0,1,0,1,0,0|1,0,0]=3 19650 B13R1.593 CC(C)OC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100011215430 [0,1,0,1,0,0|2,0,0]=4 19651 B13R1.593 CC(C)OC(=O)CN[C@H]1CCOC1 2230a_100015188467_100011215430 [0,1,0,1,0,0|2,0,0]=4 19652 B13R1.593 CC(C)OC(=O)CN[C@H]1CCOC1 34a_100015188467_100011215430 [0,1,0,1,0,0|2,0,0]=4 19653 B13R1.593 CC(C)OC(=O)COC1CCCC1 34a_100000210269_100011215430 [0,1,0,1,0,0|1,0,0]=3 19654 B13R1.593 CC(C)OC(=O)COC1CCCC1 7a_100000210269_100011215430 [0,1,0,1,0,0|1,0,0]=3 19655 B13R1.593 CC(C)OC(=O)COC1CCCO1 34a_100000085407_100011215430 [0,1,0,1,0,0|2,0,0]=4 19656 B13R1.593 CC(C)OC(=O)COC1CCSC1 7a_100011232664_100011215430 [0,1,0,1,0,0|2,0,0]=4 19657 B13R1.593 CC(C)OC(=O)CO[C@H]1CCOC1 34a_100000717292_100011215430 [0,1,0,1,0,0|2,0,0]=4 19658 B13R1.593 CC(C)OC(=O)CSC1CCCC1 62a_100011215430_100000179811 [0,1,0,1,0,0|1,0,0]=3 19659 B13R1.593 CC(C)OC(=O)CSC1CCCC1 62a_100011217020_100011215430 [0,1,0,1,0,0|1,0,0]=3 19660 B13R1.593 CC(C)OC(=O)CSC1CCOC1 62a_100011215430_100000690089 [0,1,0,1,0,0|2,0,0]=4 19661 B13R1.593 CC(C)OC(=O)OCN1CCCC1 269982a_100000188435_100010125566 [0,1,0,1,0,0|2,0,0]=4 19662 B13R1.593 CC(O)CC(=O)CCC1CCCC1 1458a_100000211120_100011218427 [0,1,0,1,0,0|1,0,0]=3 19663 B13R1.593 CC(O)CC(=O)CCC1CCCO1 1458a_100011247709_100011218427 [0,1,0,1,0,0|2,0,0]=4 19664 B13R1.593 CC(O)CC(=O)CCN1CCCC1 1458a_100000738983_100011218427 [0,1,0,1,0,0|2,0,0]=4 19665 B13R1.593 CC(O)CC(=O)COC1CCCC1 1458a_100000741352_100011218427 [0,1,0,1,0,0|2,0,0]=4 19666 B13R1.593 CN(C)CC(=O)CCC1CCCC1 1458a_100000750896_100000760354 [0,1,0,1,0,0|2,0,0]=4 19667 B13R1.593 C[C@@H](O)CC(=O)CCC1CCCC1 1458a_100011933948_100000760354 [0,1,0,1,0,0|1,0,0]=3 19668 B13R1.593 C[C@@H](O)CC(=O)CCN1CCCC1 1458a_100011933948_100000004467 [0,1,0,1,0,0|2,0,0]=4 19669 B13R1.593 C[C@@H](O)CC(=O)NCC1CCCC1 240690a_100000737975_100011933948 [0,1,0,1,0,0|2,0,0]=4 19670 B13R1.593 C[S+](C)CC(=O)CCC1CCCC1 1458a_200159257847_100000760354 [0,1,0,1,0,0|2,0,0]=4 19671 B13R1.593 O=C(CCC1CCCC1)CC(F)F 1458a_100000211120_100011934356 [0,1,0,1,0,0|2,0,0]=4 19672 B13R1.2027 CC(C)NC(=O)CCNC1CCC1 2230a_100000749019_100000737564 [0,1,0,1,0,0|2,0,0]=4 19673 B13R1.2027 CC(C)NC(=O)CCSC1CCC1 62a_100000737564_100000749161 [0,1,0,1,0,0|2,0,0]=4 19674 B13R1.2027 CC(C)NC(=O)CNCC1CCC1 2230a_100000168517_100000763275 [0,1,0,1,0,0|2,0,0]=4 19675 B13R1.2027 CC(C)NC(=O)CNCC1CCC1 2230a_100000738700_100000183996 [0,1,0,1,0,0|2,0,0]=4 19676 B13R1.2027 CC(C)NC(=O)CNCC1CCC1 269862a_100000168517_100000753134 [0,1,0,1,0,0|2,0,0]=4 19677 B13R1.2027 CC(C)NC(=O)CNCC1CCC1 34a_100000738700_100000183996 [0,1,0,1,0,0|2,0,0]=4 19678 B13R1.2027 CC(C)NC(=O)COCC1CCC1 34a_100000760304_100000183996 [0,1,0,1,0,0|2,0,0]=4 19679 B13R1.2027 CC(C)NC(=O)CSCC1CCC1 62a_100000183996_100000763275 [0,1,0,1,0,0|2,0,0]=4 19680 B13R1.2027 CC(C)NC(=O)CSCC1CCC1 62a_100000763275_100000183996 [0,1,0,1,0,0|2,0,0]=4 19681 B13R1.2027 CC(C)OC(=O)CCNC1CCC1 2230a_100000749019_100000760027 [0,1,0,1,0,0|1,0,0]=3 19682 B13R1.2027 CC(C)OC(=O)CCNC1COC1 2230a_100016991112_100000760027 [0,1,0,1,0,0|2,0,0]=4 19683 B13R1.2027 CC(C)OC(=O)CCOC1CSC1 7a_100000072292_100000760027 [0,1,0,1,0,0|2,0,0]=4 19684 B13R1.2027 CC(C)OC(=O)CCSC1CCC1 62a_100000760027_100000749161 [0,1,0,1,0,0|1,0,0]=3 19685 B13R1.2027 CC(C)OC(=O)CCSC1COC1 62a_100000760027_100009818527 [0,1,0,1,0,0|2,0,0]=4 19686 B13R1.2027 CC(C)OC(=O)CNCC1CCC1 2230a_100000738700_100011215430 [0,1,0,1,0,0|1,0,0]=3 19687 B13R1.2027 CC(C)OC(=O)CNCC1CCC1 34a_100000738700_100011215430 [0,1,0,1,0,0|1,0,0]=3 19688 B13R1.2027 CC(C)OC(=O)CNCC1COC1 2230a_100015281925_100011215430 [0,1,0,1,0,0|2,0,0]=4 19689 B13R1.2027 CC(C)OC(=O)CNCC1COC1 34a_100015281925_100011215430 [0,1,0,1,0,0|2,0,0]=4 19690 B13R1.2027 CC(C)OC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100011215430 [0,1,0,1,0,0|2,0,0]=4 19691 B13R1.2027 CC(C)OC(=O)CNC[C@@H]1CCO1 34a_100020831831_100011215430 [0,1,0,1,0,0|2,0,0]=4 19692 B13R1.2027 CC(C)OC(=O)COCC1CCC1 34a_100000760304_100011215430 [0,1,0,1,0,0|1,0,0]=3 19693 B13R1.2027 CC(C)OC(=O)COCC1CCO1 34a_100000039022_100011215430 [0,1,0,1,0,0|2,0,0]=4 19694 B13R1.2027 CC(C)OC(=O)COCC1CNC1 34a_100016987283_100011215430 [0,1,0,1,0,0|2,0,0]=4 19695 B13R1.2027 CC(C)OC(=O)COCC1COC1 34a_100000060846_100011215430 [0,1,0,1,0,0|2,0,0]=4 19696 B13R1.2027 CC(C)OC(=O)CSCC1CCC1 62a_100000763275_100011215430 [0,1,0,1,0,0|1,0,0]=3 19697 B13R1.2027 CC(C)OC(=O)CSCC1CCC1 62a_100011215430_100000763275 [0,1,0,1,0,0|1,0,0]=3 19698 B13R1.2027 CC(C)OC(=O)CSCC1CCO1 62a_100000103362_100011215430 [0,1,0,1,0,0|2,0,0]=4 19699 B13R1.2027 CC(C)OC(=O)CSCC1CCO1 62a_100011215430_100000103362 [0,1,0,1,0,0|2,0,0]=4 19700 B13R1.2027 CC(C)OC(=O)CSCC1COC1 62a_100010264016_100011215430 [0,1,0,1,0,0|2,0,0]=4 19701 B13R1.2027 CC(C)OC(=O)CSCC1COC1 62a_100011215430_100010264016 [0,1,0,1,0,0|2,0,0]=4 19702 B13R1.2027 CC(C)OC(=O)OCSC1CCC1 62a_100000003507_100000749161 [0,1,0,1,0,0|2,0,0]=4 19703 B13R1.2028 CC(C)NC(=O)CCNCC1CC1 2230a_100000735609_100000737564 [0,1,0,1,0,0|2,0,0]=4 19704 B13R1.2028 CC(C)NC(=O)CCSCC1CC1 62a_100000737564_100000742324 [0,1,0,1,0,0|2,0,0]=4 19705 B13R1.2028 CC(C)NC(=O)CCSCC1CC1 62a_100000756562_100000737564 [0,1,0,1,0,0|2,0,0]=4 19706 B13R1.2028 CC(C)NC(=O)CNCCC1CC1 2230a_100000168517_100000694398 [0,1,0,1,0,0|2,0,0]=4 19707 B13R1.2028 CC(C)NC(=O)CNCCC1CC1 34a_100000764129_100000183996 [0,1,0,1,0,0|2,0,0]=4 19708 B13R1.2028 CC(C)NC(=O)COCCC1CC1 34a_100000754188_100000183996 [0,1,0,1,0,0|2,0,0]=4 19709 B13R1.2028 CC(C)NC(=O)COCCC1CC1 7a_100000754188_100000183996 [0,1,0,1,0,0|2,0,0]=4 19710 B13R1.2028 CC(C)NC(=O)CSCCC1CC1 62a_100000183996_100000764125 [0,1,0,1,0,0|2,0,0]=4 19711 B13R1.2028 CC(C)NC(=O)CSCCC1CC1 62a_100000764125_100000183996 [0,1,0,1,0,0|2,0,0]=4 19712 B13R1.2028 CC(C)OC(=O)CCNCC1CC1 2230a_100000735609_100000760027 [0,1,0,1,0,0|1,0,0]=3 19713 B13R1.2028 CC(C)OC(=O)CCSCC1CC1 62a_100000756562_100000760027 [0,1,0,1,0,0|1,0,0]=3 19714 B13R1.2028 CC(C)OC(=O)CCSCC1CC1 62a_100000760027_100000742324 [0,1,0,1,0,0|1,0,0]=3 19715 B13R1.2028 CC(C)OC(=O)CCSCC1CO1 62a_100000760027_102125554688 [0,1,0,1,0,0|2,0,0]=4 19716 B13R1.2028 CC(C)OC(=O)CCSCC1CO1 62a_102125554688_100000760027 [0,1,0,1,0,0|2,0,0]=4 19717 B13R1.2028 CC(C)OC(=O)CCSCC1CS1 62a_100000031435_100000760027 [0,1,0,1,0,0|2,0,0]=4 19718 B13R1.2028 CC(C)OC(=O)CCSCC1CS1 62a_100000760027_100000031435 [0,1,0,1,0,0|2,0,0]=4 19719 B13R1.2028 CC(C)OC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000760027 [0,1,0,1,0,0|2,0,0]=4 19720 B13R1.2028 CC(C)OC(=O)CCSC[C@@H]1CO1 62a_100000760027_100000745022 [0,1,0,1,0,0|2,0,0]=4 19721 B13R1.2028 CC(C)OC(=O)CNCCC1CC1 34a_100000764129_100011215430 [0,1,0,1,0,0|1,0,0]=3 19722 B13R1.2028 CC(C)OC(=O)COCCC1CC1 34a_100000754188_100011215430 [0,1,0,1,0,0|1,0,0]=3 19723 B13R1.2028 CC(C)OC(=O)COCCC1CC1 7a_100000754188_100011215430 [0,1,0,1,0,0|1,0,0]=3 19724 B13R1.2028 CC(C)OC(=O)COCC[C@@H]1CO1 34a_100009820653_100011215430 [0,1,0,1,0,0|2,0,0]=4 19725 B13R1.2028 CC(C)OC(=O)CSCCC1CC1 62a_100000764125_100011215430 [0,1,0,1,0,0|1,0,0]=3 19726 B13R1.2028 CC(C)OC(=O)CSCCC1CC1 62a_100011215430_100000764125 [0,1,0,1,0,0|1,0,0]=3 19727 B13R1.2028 CC(C)OC(=O)CSCCC1CO1 62a_100000732470_100011215430 [0,1,0,1,0,0|2,0,0]=4 19728 B13R1.2028 CC(C)OC(=O)CSCCC1CO1 62a_100011215430_100000732470 [0,1,0,1,0,0|2,0,0]=4 19729 B13R1.2028 CC(C)OC(=O)OCSCC1CC1 62a_100000003507_100000742324 [0,1,0,1,0,0|2,0,0]=4 19730 B13R1.2028 CC(C)OC(=O)OCSCC1CC1 62a_100000756562_100000003507 [0,1,0,1,0,0|2,0,0]=4 19731 B13R1.2790 CC(C)NC(=O)COCC1CC1C 34a_100000744939_100000183996 [0,1,0,1,0,0|2,0,0]=4 19732 B13R1.2790 CC(C)NC(=O)COCC1CC1C 7a_100000744939_100000183996 [0,1,0,1,0,0|2,0,0]=4 19733 B13R1.2790 CC(C)OC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000760027 [0,1,0,1,0,0|2,0,0]=4 19734 B13R1.2790 CC(C)OC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000760027 [0,1,0,1,0,0|2,0,0]=4 19735 B13R1.2790 CC(C)OC(=O)COCC1CC1C 34a_100000744939_100011215430 [0,1,0,1,0,0|1,0,0]=3 19736 B13R1.2790 CC(C)OC(=O)COCC1CC1C 7a_100000744939_100011215430 [0,1,0,1,0,0|1,0,0]=3 19737 B13R1.2800 CCC1CCCN1C(=O)CC(C)C 11a_100000754278_100000210554 [0,1,0,1,0,0|2,0,0]=4 19738 B13R1.2800 CCC1CCCN1C(=O)CC(C)C 1626a_100000754278_100000210554 [0,1,0,1,0,0|2,0,0]=4 19739 B13R1.2800 CCC1CCCN1C(=O)CC(C)C 240690a_100000754278_100000210554 [0,1,0,1,0,0|2,0,0]=4 19740 B13R1.2800 CCC1CCCN1C(=O)CC(C)C 527a_100000754278_100000210554 [0,1,0,1,0,0|2,0,0]=4 19741 B13R1.2800 CCC1CCCN1C(=O)C[C@@H](C)O 240690a_100000754278_100011933948 [0,1,0,1,0,0|2,0,0]=4 19742 B13R1.2800 CCC1CCCN1C(=O)NC(C)C 2708a_100138425928_100000754278 [0,1,0,1,0,0|2,0,0]=4 19743 B13R1.2800 CCC1CCCN1C(=O)NC(C)C 273464a_100138425928_100000754278 [0,1,0,1,0,0|2,0,0]=4 19744 B13R1.2800 CCN1CCCC1C(=O)CC(C)C 1458a_106256033941_100000210624 [0,1,0,1,0,0|2,0,0]=4 19745 B13R1.2800 CCN1CCCC1C(=O)CC(C)O 1458a_106256033941_100011218427 [0,1,0,1,0,0|2,0,0]=4 19746 B13R1.2800 CCN1CCCC1C(=O)NC(C)C 240690a_100138425928_106256033941 [0,1,0,1,0,0|2,0,0]=4 19747 B13R1.2800 CCN1CCCC1C(=O)NC(C)C 527a_100138425928_106256033941 [0,1,0,1,0,0|2,0,0]=4 19748 B13R1.2800 CCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100000210202 [0,1,0,1,0,0|2,0,0]=4 19749 B13R1.2800 CCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100000204670 [0,1,0,1,0,0|2,0,0]=4 19750 B13R1.2800 CCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100000210202 [0,1,0,1,0,0|2,0,0]=4 19751 B13R1.3574 CCCCCCCC(=O)CC1CC1 1458a_100000211969_100000742324 [0,1,0,1,0,0|1,0,0]=3 19752 B13R1.3574 CCCCCCCC(=O)CC1CC1 1458a_100000738066_100000210614 [0,1,0,1,0,0|1,0,0]=3 19753 B13R1.3574 CCCCCCCC(=O)CC1CO1 1458a_100000211969_100011216344 [0,1,0,1,0,0|1,0,0]=3 19754 B13R1.3574 CCCCCCCC(=O)CC1CS1 1458a_100000211969_100000031435 [0,1,0,1,0,0|1,0,0]=3 19755 B13R1.3574 CCCCCCCC(=O)C[C@@H]1CO1 1458a_100000211969_100000745022 [0,1,0,1,0,0|1,0,0]=3 19756 B13R1.3574 CCCCCCCC(=O)NC1CC1 1626a_100000212008_100000211969 [0,1,0,1,0,0|1,0,0]=3 19757 B13R1.3574 CCCCCCCC(=O)NC1CC1 240690a_100000212008_100000211969 [0,1,0,1,0,0|1,0,0]=3 19758 B13R1.3574 CCCCCCCC(=O)NC1CC1 527a_100000212008_100000211969 [0,1,0,1,0,0|1,0,0]=3 19759 B13R1.3574 CCCCCCCC(C)OC1CC1 34a_200011215852_100000211595 [0,1,0,1,0,0|1,0,1]=4 19760 B13R1.3574 CCCCCCNC(=O)CC1CC1 11a_100000210581_100000738066 [0,1,0,1,0,0|2,0,0]=4 19761 B13R1.3574 CCCCCCNC(=O)CC1CC1 1626a_100000210581_100000738066 [0,1,0,1,0,0|2,0,0]=4 19762 B13R1.3574 CCCCCCNC(=O)CC1CC1 240690a_100000210581_100000738066 [0,1,0,1,0,0|2,0,0]=4 19763 B13R1.3574 CCCCCCNC(=O)CC1CC1 527a_100000210581_100000738066 [0,1,0,1,0,0|2,0,0]=4 19764 B13R1.3574 CCCCCCNC(=O)NC1CC1 2708a_100000210581_100000212008 [0,1,0,1,0,0|2,0,0]=4 19765 B13R1.3574 CCCCCCNC(=O)NC1CC1 2708a_100000212008_100000210581 [0,1,0,1,0,0|2,0,0]=4 19766 B13R1.3574 CCCCCCNC(=O)NC1CC1 273464a_100000210581_100000212008 [0,1,0,1,0,0|2,0,0]=4 19767 B13R1.3574 CCCCCCNC(=O)NC1CC1 273464a_100000212008_100000210581 [0,1,0,1,0,0|2,0,0]=4 19768 B13R1.3574 CCCCCCNC(=O)NC1CC1 512a_100000212008_100000210581 [0,1,0,1,0,0|2,0,0]=4 19769 B13R1.3574 CCCCCNCC(=O)NC1CC1 2230a_100000209983_100000182950 [0,1,0,1,0,0|2,0,0]=4 19770 B13R1.3574 CCCCCNCC(=O)NC1CC1 2230a_100000702991_100000210326 [0,1,0,1,0,0|2,0,0]=4 19771 B13R1.3574 CCCCCOCC(=O)NC1CC1 34a_100000210253_100000182950 [0,1,0,1,0,0|2,0,0]=4 19772 B13R1.3574 CCCCCOCC(=O)NC1CC1 7a_100000210253_100000182950 [0,1,0,1,0,0|2,0,0]=4 19773 B13R1.3574 CCCCCSCC(=O)NC1CC1 62a_100000182950_100000210326 [0,1,0,1,0,0|2,0,0]=4 19774 B13R1.3574 CCCCCSCC(=O)NC1CC1 62a_100000210326_100000182950 [0,1,0,1,0,0|2,0,0]=4 19775 B13R1.3574 CCCCNCCC(=O)NC1CC1 2230a_100000102301_100000737409 [0,1,0,1,0,0|2,0,0]=4 19776 B13R1.3574 CCCCOCCC(=O)CC1CC1 1458a_100000738066_100000743108 [0,1,0,1,0,0|2,0,0]=4 19777 B13R1.3574 CCCCOCCC(=O)NC1CC1 34a_100000210227_100000737409 [0,1,0,1,0,0|2,0,0]=4 19778 B13R1.3574 CCCCSCCC(=O)NC1CC1 62a_100000210211_100000737409 [0,1,0,1,0,0|2,0,0]=4 19779 B13R1.3574 CCCCSCCC(=O)NC1CC1 62a_100000737409_100000210210 [0,1,0,1,0,0|2,0,0]=4 19780 B13R1.3574 COCCCCCC(=O)CC1CC1 1458a_100011935119_100000742324 [0,1,0,1,0,0|2,0,0]=4 19781 B13R1.3574 COCCCCCC(=O)CC1CO1 1458a_100011935119_100011216344 [0,1,0,1,0,0|2,0,0]=4 19782 B13R1.3574 COCCCCCC(=O)CC1CS1 1458a_100011935119_100000031435 [0,1,0,1,0,0|2,0,0]=4 19783 B13R1.3574 COCCCCCC(=O)C[C@@H]1CO1 1458a_100011935119_100000745022 [0,1,0,1,0,0|2,0,0]=4 19784 B13R1.3574 COCCCCCC(=O)NC1CC1 1626a_100000212008_100011935119 [0,1,0,1,0,0|2,0,0]=4 19785 B13R1.3574 COCCCCCC(=O)NC1CC1 240690a_100000212008_100011935119 [0,1,0,1,0,0|2,0,0]=4 19786 B13R1.3574 COCCCCCC(=O)NC1CC1 527a_100000212008_100011935119 [0,1,0,1,0,0|2,0,0]=4 19787 B13R1.3574 O=C(CCCCCCF)CC1CC1 1458a_100000738066_100015922095 [0,1,0,1,0,0|2,0,0]=4 19788 B13R1.3574 O=C(CCCCCCO)CC1CC1 1458a_100000738066_100000766143 [0,1,0,1,0,0|2,0,0]=4 19789 B13R1.3574 O=C(CCCCCCO)CC1CC1 1458a_100011996774_100000742324 [0,1,0,1,0,0|2,0,0]=4 19790 B13R1.3574 O=C(CCCCCCO)CC1CO1 1458a_100011996774_100011216344 [0,1,0,1,0,0|2,0,0]=4 19791 B13R1.3574 O=C(CCCCCCO)CC1CS1 1458a_100011996774_100000031435 [0,1,0,1,0,0|2,0,0]=4 19792 B13R1.3574 O=C(CCCCCCO)C[C@@H]1CO1 1458a_100011996774_100000745022 [0,1,0,1,0,0|2,0,0]=4 19793 B13R1.3574 O=C(CCCCCCO)NC1CC1 240690a_100000212008_100011996774 [0,1,0,1,0,0|2,0,0]=4 19794 B13R1.6366 CC1CC1C(=O)CCCCCCF 1458a_100000211227_100015922095 [0,1,0,1,0,0|2,0,0]=4 19795 B13R1.6366 CC1CC1C(=O)CCCCCCO 1458a_100000211227_100000766143 [0,1,0,1,0,0|2,0,0]=4 19796 B13R1.6366 CCCCCCCC(=O)C1CC1C 1458a_100000211227_100000210614 [0,1,0,1,0,0|1,0,0]=3 19797 B13R1.6366 CCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210614 [0,1,0,1,0,0|1,0,0]=3 19798 B13R1.6366 CCCCCCNC(=O)C1CC1C 11a_100000210581_100000211227 [0,1,0,1,0,0|2,0,0]=4 19799 B13R1.6366 CCCCCCNC(=O)C1CC1C 1626a_100000210581_100000211227 [0,1,0,1,0,0|2,0,0]=4 19800 B13R1.6366 CCCCCCNC(=O)C1CC1C 527a_100000210581_100000211227 [0,1,0,1,0,0|2,0,0]=4 19801 B13R1.6366 CCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000210581_100015396687 [0,1,0,1,0,0|2,0,0]=4 19802 B13R1.6366 CCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210581_100015396687 [0,1,0,1,0,0|2,0,0]=4 19803 B13R1.6366 CCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000210581_100015396687 [0,1,0,1,0,0|2,0,0]=4 19804 B13R1.6366 CCCCOCCC(=O)C1CC1C 1458a_100000211227_100000743108 [0,1,0,1,0,0|2,0,0]=4 19805 B13R1.6366 CCCCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000743108 [0,1,0,1,0,0|2,0,0]=4 19806 B13R1.6366 O=C(CCCCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015922095 [0,1,0,1,0,0|2,0,0]=4 19807 B13R1.6366 O=C(CCCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000766143 [0,1,0,1,0,0|2,0,0]=4 19808 B13R1.7456 C=C(C)CC(=O)C1CCCCCC1 1458a_100000749507_100000748629 [0,1,0,1,0,0|1,0,1]=4 19809 B13R1.7456 CC(=CC(=O)C1CCCCCC1)C 1458a_100000211388_100011217769 [0,1,0,1,0,0|1,0,1]=4 19810 B13R1.7456 CC(=CC(=O)C1CCCCCC1)Cl 1458a_200042562850_100011217769 [0,1,0,1,0,0|1,0,1]=4 19811 B13R1.7456 CC(=CC(=O)C1CCCCCC1)I 1458a_100025716642_100011217769 [0,1,0,1,0,0|1,0,1]=4 19812 B13R1.7456 CC(C)CC(=O)C1CCCCCC1 1458a_100000210554_100011217769 [0,1,0,1,0,0|1,0,0]=3 19813 B13R1.7456 CC(C)CC(=O)C1CCCCCC1 1458a_100000749507_100000210624 [0,1,0,1,0,0|1,0,0]=3 19814 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 11a_100000185865_100000210554 [0,1,0,1,0,0|2,0,0]=4 19815 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 1626a_100000185865_100000210554 [0,1,0,1,0,0|2,0,0]=4 19816 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 240690a_100000185865_100000210554 [0,1,0,1,0,0|2,0,0]=4 19817 B13R1.7456 CC(C)CC(=O)N1CCCCCC1 527a_100000185865_100000210554 [0,1,0,1,0,0|2,0,0]=4 19818 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 11a_100138425928_100000749507 [0,1,0,1,0,0|1,0,0]=3 19819 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 1626a_100138425928_100000749507 [0,1,0,1,0,0|1,0,0]=3 19820 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 240690a_100138425928_100000749507 [0,1,0,1,0,0|1,0,0]=3 19821 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 527a_100138425928_100000749507 [0,1,0,1,0,0|1,0,0]=3 19822 B13R1.7456 CC(C)NC(=O)N1CCCCCC1 2708a_100138425928_100000185865 [0,1,0,1,0,0|2,0,0]=4 19823 B13R1.7456 CC(C)NC(=O)N1CCCCCC1 273464a_100138425928_100000185865 [0,1,0,1,0,0|2,0,0]=4 19824 B13R1.7456 CC(O)CC(=O)C1CCCCCC1 1458a_100000749507_100011218427 [0,1,0,1,0,0|1,0,0]=3 19825 B13R1.7456 CN(C)CC(=O)C1CCCCCC1 1458a_100000750896_100011217769 [0,1,0,1,0,0|2,0,0]=4 19826 B13R1.7456 C[C@@H](O)CC(=O)C1CCCCCC1 1458a_100011933948_100011217769 [0,1,0,1,0,0|1,0,0]=3 19827 B13R1.7456 C[C@@H](O)CC(=O)N1CCCCCC1 240690a_100000185865_100011933948 [0,1,0,1,0,0|2,0,0]=4 19828 B13R1.7456 C[S+](C)CC(=O)C1CCCCCC1 1458a_200159257847_100011217769 [0,1,0,1,0,0|2,0,0]=4 19829 B13R1.7456 O=C(CC(F)F)C1CCCCCC1 1458a_100000749507_100011934356 [0,1,0,1,0,0|2,0,0]=4 19830 B13R1.102 CCC(C)C(=O)C1CCCN1CC 1458a_106256033941_100000758301 [0,1,0,1,0,0|2,0,0]=4 19831 B13R1.102 CCC(C)C(=O)N1CCCC1CC 11a_100000754278_100011192722 [0,1,0,1,0,0|2,0,0]=4 19832 B13R1.102 CCC(C)C(=O)N1CCCC1CC 1626a_100000754278_100011192722 [0,1,0,1,0,0|2,0,0]=4 19833 B13R1.102 CCC(C)C(=O)N1CCCC1CC 240690a_100000754278_100011192722 [0,1,0,1,0,0|2,0,0]=4 19834 B13R1.102 CCC(C)C(=O)N1CCCC1CC 527a_100000754278_100011192722 [0,1,0,1,0,0|2,0,0]=4 19835 B13R1.102 CCC(O)C(=O)N1CCCC1CC 240690a_100000754278_100011196387 [0,1,0,1,0,0|2,0,0]=4 19836 B13R1.102 CCN(C)C(=O)C1CCCN1CC 240690a_100000225621_106256033941 [0,1,0,1,0,0|2,0,0]=4 19837 B13R1.102 CCN(C)C(=O)C1CCCN1CC 527a_100000225621_106256033941 [0,1,0,1,0,0|2,0,0]=4 19838 B13R1.135 C/C=C(\C)/C(=O)CC1CCCCC1 1458a_100020587367_100000211423 [0,1,0,1,0,0|1,0,1]=4 19839 B13R1.135 CCC(=O)C(=O)NC1CCCCC1 1458a_200011297149_100000210202 [0,1,0,1,0,0|2,0,0]=4 19840 B13R1.135 CCC(C)C(=O)CC1CCCCC1 1458a_100000211666_100000758301 [0,1,0,1,0,0|1,0,0]=3 19841 B13R1.135 CCC(C)C(=O)CC1CCCCC1 1458a_100011192722_100000211423 [0,1,0,1,0,0|1,0,0]=3 19842 B13R1.135 CCC(C)C(=O)CC1CCCCO1 1458a_100000238585_100000758301 [0,1,0,1,0,0|2,0,0]=4 19843 B13R1.135 CCC(C)C(=O)CC1CCCCO1 1458a_100011192722_100000211543 [0,1,0,1,0,0|2,0,0]=4 19844 B13R1.135 CCC(C)C(=O)CC1CCCOC1 1458a_100000741523_100000758301 [0,1,0,1,0,0|2,0,0]=4 19845 B13R1.135 CCC(C)C(=O)CC1CCCOC1 1458a_100011192722_100000741521 [0,1,0,1,0,0|2,0,0]=4 19846 B13R1.135 CCC(C)C(=O)CC1CCOCC1 1458a_100000757261_100000758301 [0,1,0,1,0,0|2,0,0]=4 19847 B13R1.135 CCC(C)C(=O)CC1CCOCC1 1458a_100011192722_100000754603 [0,1,0,1,0,0|2,0,0]=4 19848 B13R1.135 CCC(C)C(=O)CN1CCCCC1 1458a_100000740322_100000758301 [0,1,0,1,0,0|2,0,0]=4 19849 B13R1.135 CCC(C)C(=O)NC1CCCCC1 11a_100000182618_100011192722 [0,1,0,1,0,0|2,0,0]=4 19850 B13R1.135 CCC(C)C(=O)NC1CCCCC1 1626a_100000182618_100011192722 [0,1,0,1,0,0|2,0,0]=4 19851 B13R1.135 CCC(C)C(=O)NC1CCCCC1 240690a_100000182618_100011192722 [0,1,0,1,0,0|2,0,0]=4 19852 B13R1.135 CCC(C)C(=O)NC1CCCCC1 527a_100000182618_100011192722 [0,1,0,1,0,0|2,0,0]=4 19853 B13R1.135 CCC(O)C(=O)CC1CCCCC1 1458a_100011196387_100000211423 [0,1,0,1,0,0|1,0,0]=3 19854 B13R1.135 CCC(O)C(=O)CC1CCCCO1 1458a_100011196387_100000211543 [0,1,0,1,0,0|2,0,0]=4 19855 B13R1.135 CCC(O)C(=O)CC1CCCOC1 1458a_100011196387_100000741521 [0,1,0,1,0,0|2,0,0]=4 19856 B13R1.135 CCC(O)C(=O)CC1CCOCC1 1458a_100011196387_100000754603 [0,1,0,1,0,0|2,0,0]=4 19857 B13R1.135 CCC(O)C(=O)NC1CCCCC1 240690a_100000182618_100011196387 [0,1,0,1,0,0|2,0,0]=4 19858 B13R1.135 CCN(C)C(=O)CC1CCCCC1 11a_100000225621_100000211666 [0,1,0,1,0,0|1,0,0]=3 19859 B13R1.135 CCN(C)C(=O)CC1CCCCC1 1626a_100000225621_100000211666 [0,1,0,1,0,0|1,0,0]=3 19860 B13R1.135 CCN(C)C(=O)CC1CCCCC1 240690a_100000225621_100000211666 [0,1,0,1,0,0|1,0,0]=3 19861 B13R1.135 CCN(C)C(=O)CC1CCCCC1 527a_100000225621_100000211666 [0,1,0,1,0,0|1,0,0]=3 19862 B13R1.135 CCN(C)C(=O)CC1CCCCO1 11a_100000225621_100000238585 [0,1,0,1,0,0|2,0,0]=4 19863 B13R1.135 CCN(C)C(=O)CC1CCCCO1 1626a_100000225621_100000238585 [0,1,0,1,0,0|2,0,0]=4 19864 B13R1.135 CCN(C)C(=O)CC1CCCCO1 240690a_100000225621_100000238585 [0,1,0,1,0,0|2,0,0]=4 19865 B13R1.135 CCN(C)C(=O)CC1CCCCO1 527a_100000225621_100000238585 [0,1,0,1,0,0|2,0,0]=4 19866 B13R1.135 CCN(C)C(=O)CC1CCCOC1 11a_100000225621_100000741523 [0,1,0,1,0,0|2,0,0]=4 19867 B13R1.135 CCN(C)C(=O)CC1CCCOC1 1626a_100000225621_100000741523 [0,1,0,1,0,0|2,0,0]=4 19868 B13R1.135 CCN(C)C(=O)CC1CCCOC1 240690a_100000225621_100000741523 [0,1,0,1,0,0|2,0,0]=4 19869 B13R1.135 CCN(C)C(=O)CC1CCCOC1 527a_100000225621_100000741523 [0,1,0,1,0,0|2,0,0]=4 19870 B13R1.135 CCN(C)C(=O)CC1CCOCC1 11a_100000225621_100000757261 [0,1,0,1,0,0|2,0,0]=4 19871 B13R1.135 CCN(C)C(=O)CC1CCOCC1 1626a_100000225621_100000757261 [0,1,0,1,0,0|2,0,0]=4 19872 B13R1.135 CCN(C)C(=O)CC1CCOCC1 240690a_100000225621_100000757261 [0,1,0,1,0,0|2,0,0]=4 19873 B13R1.135 CCN(C)C(=O)CC1CCOCC1 527a_100000225621_100000757261 [0,1,0,1,0,0|2,0,0]=4 19874 B13R1.135 CCN(C)C(=O)CN1CCCCC1 11a_100000225621_100000740322 [0,1,0,1,0,0|2,0,0]=4 19875 B13R1.135 CCN(C)C(=O)CN1CCCCC1 240690a_100000225621_100000740322 [0,1,0,1,0,0|2,0,0]=4 19876 B13R1.135 CCN(C)C(=O)CN1CCCCC1 527a_100000225621_100000740322 [0,1,0,1,0,0|2,0,0]=4 19877 B13R1.135 CCN(C)C(=O)NC1CCCCC1 2708a_100000182618_100000225621 [0,1,0,1,0,0|2,0,0]=4 19878 B13R1.135 CCN(C)C(=O)NC1CCCCC1 273464a_100000182618_100000225621 [0,1,0,1,0,0|2,0,0]=4 19879 B13R1.135 CNC(=O)C(=O)CC1CCCCC1 1458a_100011218921_100000211423 [0,1,0,1,0,0|2,0,0]=4 19880 B13R1.135 COC(C)C(=O)CC1CCCCC1 1458a_100000743197_100000211423 [0,1,0,1,0,0|2,0,0]=4 19881 B13R1.135 CSC(C)C(=O)CC1CCCCC1 1458a_100000149566_100000211423 [0,1,0,1,0,0|2,0,0]=4 19882 B13R1.135 O=C(CC1CCCCC1)C(O)CO 1458a_100011215603_100000211423 [0,1,0,1,0,0|2,0,0]=4 19883 B13R1.554 C/C=C(\C)/C(=O)CCC1CCCC1 1458a_100020587367_100000760354 [0,1,0,1,0,0|1,0,1]=4 19884 B13R1.554 CCC(C)C(=O)CCC1CCCC1 1458a_100000211120_100000758301 [0,1,0,1,0,0|1,0,0]=3 19885 B13R1.554 CCC(C)C(=O)CCC1CCCC1 1458a_100011192722_100000760354 [0,1,0,1,0,0|1,0,0]=3 19886 B13R1.554 CCC(C)C(=O)CCC1CCCO1 1458a_100011247709_100000758301 [0,1,0,1,0,0|2,0,0]=4 19887 B13R1.554 CCC(C)C(=O)CCN1CCCC1 1458a_100000738983_100000758301 [0,1,0,1,0,0|2,0,0]=4 19888 B13R1.554 CCC(C)C(=O)CCN1CCCC1 1458a_100011192722_100000004467 [0,1,0,1,0,0|2,0,0]=4 19889 B13R1.554 CCC(C)C(=O)COC1CCCC1 1458a_100000741352_100000758301 [0,1,0,1,0,0|2,0,0]=4 19890 B13R1.554 CCC(C)C(=O)NCC1CCCC1 11a_100000737975_100011192722 [0,1,0,1,0,0|2,0,0]=4 19891 B13R1.554 CCC(C)C(=O)NCC1CCCC1 1626a_100000737975_100011192722 [0,1,0,1,0,0|2,0,0]=4 19892 B13R1.554 CCC(C)C(=O)NCC1CCCC1 240690a_100000737975_100011192722 [0,1,0,1,0,0|2,0,0]=4 19893 B13R1.554 CCC(C)C(=O)NCC1CCCC1 527a_100000737975_100011192722 [0,1,0,1,0,0|2,0,0]=4 19894 B13R1.554 CCC(O)C(=O)CCC1CCCC1 1458a_100011196387_100000760354 [0,1,0,1,0,0|1,0,0]=3 19895 B13R1.554 CCC(O)C(=O)CCN1CCCC1 1458a_100011196387_100000004467 [0,1,0,1,0,0|2,0,0]=4 19896 B13R1.554 CCC(O)C(=O)NCC1CCCC1 240690a_100000737975_100011196387 [0,1,0,1,0,0|2,0,0]=4 19897 B13R1.554 CCN(C)C(=O)CCC1CCCC1 11a_100000225621_100000211120 [0,1,0,1,0,0|1,0,0]=3 19898 B13R1.554 CCN(C)C(=O)CCC1CCCC1 1626a_100000225621_100000211120 [0,1,0,1,0,0|1,0,0]=3 19899 B13R1.554 CCN(C)C(=O)CCC1CCCC1 240690a_100000225621_100000211120 [0,1,0,1,0,0|1,0,0]=3 19900 B13R1.554 CCN(C)C(=O)CCC1CCCC1 527a_100000225621_100000211120 [0,1,0,1,0,0|1,0,0]=3 19901 B13R1.554 CCN(C)C(=O)CCC1CCCO1 11a_100000225621_100011247709 [0,1,0,1,0,0|2,0,0]=4 19902 B13R1.554 CCN(C)C(=O)CCC1CCCO1 1626a_100000225621_100011247709 [0,1,0,1,0,0|2,0,0]=4 19903 B13R1.554 CCN(C)C(=O)CCC1CCCO1 240690a_100000225621_100011247709 [0,1,0,1,0,0|2,0,0]=4 19904 B13R1.554 CCN(C)C(=O)CCC1CCCO1 527a_100000225621_100011247709 [0,1,0,1,0,0|2,0,0]=4 19905 B13R1.554 CCN(C)C(=O)CCN1CCCC1 240690a_100000225621_100000738983 [0,1,0,1,0,0|2,0,0]=4 19906 B13R1.554 CCN(C)C(=O)CNC1CCCC1 2230a_100000211070_100000738999 [0,1,0,1,0,0|2,0,0]=4 19907 B13R1.554 CCN(C)C(=O)CNC1CCCC1 34a_100000211070_100000738999 [0,1,0,1,0,0|2,0,0]=4 19908 B13R1.554 CCN(C)C(=O)COC1CCCC1 11a_100000225621_100000741352 [0,1,0,1,0,0|2,0,0]=4 19909 B13R1.554 CCN(C)C(=O)COC1CCCC1 1626a_100000225621_100000741352 [0,1,0,1,0,0|2,0,0]=4 19910 B13R1.554 CCN(C)C(=O)COC1CCCC1 240690a_100000225621_100000741352 [0,1,0,1,0,0|2,0,0]=4 19911 B13R1.554 CCN(C)C(=O)COC1CCCC1 34a_100000210269_100000738999 [0,1,0,1,0,0|2,0,0]=4 19912 B13R1.554 CCN(C)C(=O)COC1CCCC1 527a_100000225621_100000741352 [0,1,0,1,0,0|2,0,0]=4 19913 B13R1.554 CCN(C)C(=O)COC1CCCC1 7a_100000210269_100000738999 [0,1,0,1,0,0|2,0,0]=4 19914 B13R1.554 CCN(C)C(=O)CSC1CCCC1 62a_100000738999_100000179811 [0,1,0,1,0,0|2,0,0]=4 19915 B13R1.554 CCN(C)C(=O)CSC1CCCC1 62a_100011217020_100000738999 [0,1,0,1,0,0|2,0,0]=4 19916 B13R1.554 CCN(C)C(=O)NCC1CCCC1 2708a_100000737975_100000225621 [0,1,0,1,0,0|2,0,0]=4 19917 B13R1.554 CCN(C)C(=O)NCC1CCCC1 273464a_100000737975_100000225621 [0,1,0,1,0,0|2,0,0]=4 19918 B13R1.554 CNC(=O)C(=O)CCC1CCCC1 1458a_100011218921_100000760354 [0,1,0,1,0,0|2,0,0]=4 19919 B13R1.554 COC(C)C(=O)CCC1CCCC1 1458a_100000743197_100000760354 [0,1,0,1,0,0|2,0,0]=4 19920 B13R1.554 CSC(C)C(=O)CCC1CCCC1 1458a_100000149566_100000760354 [0,1,0,1,0,0|2,0,0]=4 19921 B13R1.554 O=C(CCC1CCCC1)C(O)CO 1458a_100011215603_100000760354 [0,1,0,1,0,0|2,0,0]=4 19922 B13R1.664 CCCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210211 [0,1,0,1,0,0|2,0,0]=4 19923 B13R1.664 CCCCNC1CC(=O)N(C1)CC 34a_100015184948_100000210210 [0,1,0,1,0,0|2,0,0]=4 19924 B13R1.664 CCCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210303 [0,1,0,1,0,0|2,0,0]=4 19925 B13R1.664 CCCNCC1CC(=O)N(C1)CC 34a_100011935115_100000210303 [0,1,0,1,0,0|2,0,0]=4 19926 B13R1.664 CCCOCC1CC(=O)N(C1)CC 34a_100000758270_100000210303 [0,1,0,1,0,0|2,0,0]=4 19927 B13R1.664 CCCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210303 [0,1,0,1,0,0|2,0,0]=4 19928 B13R1.669 CCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210326 [0,1,0,1,0,0|2,0,0]=4 19929 B13R1.669 CCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210215 [0,1,0,1,0,0|2,0,0]=4 19930 B13R1.669 CCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210211 [0,1,0,1,0,0|2,0,0]=4 19931 B13R1.669 CCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210210 [0,1,0,1,0,0|2,0,0]=4 19932 B13R1.696 CCC(C)C(=O)C1CCCCC1C 1458a_100011215568_100000758301 [0,1,0,1,0,0|1,0,0]=3 19933 B13R1.696 CCC(C)C(=O)C1CCCCC1O 1458a_100011803323_100000758301 [0,1,0,1,0,0|2,0,0]=4 19934 B13R1.696 CCC(C)C(=O)N1CCCCC1C 11a_100000211376_100011192722 [0,1,0,1,0,0|2,0,0]=4 19935 B13R1.696 CCC(C)C(=O)N1CCCCC1C 1626a_100000211376_100011192722 [0,1,0,1,0,0|2,0,0]=4 19936 B13R1.696 CCC(C)C(=O)N1CCCCC1C 240690a_100000211376_100011192722 [0,1,0,1,0,0|2,0,0]=4 19937 B13R1.696 CCC(C)C(=O)N1CCCCC1C 527a_100000211376_100011192722 [0,1,0,1,0,0|2,0,0]=4 19938 B13R1.696 CCC(C)C(=O)[C@H]1CCCCN1C 1458a_100000767060_100000758301 [0,1,0,1,0,0|2,0,0]=4 19939 B13R1.696 CCC(O)C(=O)N1CCCCC1C 240690a_100000211376_100011196387 [0,1,0,1,0,0|2,0,0]=4 19940 B13R1.696 CCN(C)C(=O)C1CCCCC1C 11a_100000225621_100011215568 [0,1,0,1,0,0|1,0,0]=3 19941 B13R1.696 CCN(C)C(=O)C1CCCCC1C 1626a_100000225621_100011215568 [0,1,0,1,0,0|1,0,0]=3 19942 B13R1.696 CCN(C)C(=O)C1CCCCC1C 240690a_100000225621_100011215568 [0,1,0,1,0,0|1,0,0]=3 19943 B13R1.696 CCN(C)C(=O)C1CCCCC1C 527a_100000225621_100011215568 [0,1,0,1,0,0|1,0,0]=3 19944 B13R1.696 CCN(C)C(=O)[C@H]1CCCCN1C 11a_100000225621_100000767060 [0,1,0,1,0,0|2,0,0]=4 19945 B13R1.696 CCN(C)C(=O)[C@H]1CCCCN1C 1626a_100000225621_100000767060 [0,1,0,1,0,0|2,0,0]=4 19946 B13R1.696 CCN(C)C(=O)[C@H]1CCCCN1C 240690a_100000225621_100000767060 [0,1,0,1,0,0|2,0,0]=4 19947 B13R1.696 CCN(C)C(=O)[C@H]1CCCCN1C 527a_100000225621_100000767060 [0,1,0,1,0,0|2,0,0]=4 19948 B13R1.697 CCN(C)C(=O)CNCCC1CC1 34a_100000764129_100000738999 [0,1,0,1,0,0|2,0,0]=4 19949 B13R1.697 CCN(C)C(=O)COCCC1CC1 34a_100000754188_100000738999 [0,1,0,1,0,0|2,0,0]=4 19950 B13R1.697 CCN(C)C(=O)COCCC1CC1 7a_100000754188_100000738999 [0,1,0,1,0,0|2,0,0]=4 19951 B13R1.697 CCN(C)C(=O)CSCCC1CC1 62a_100000738999_100000764125 [0,1,0,1,0,0|2,0,0]=4 19952 B13R1.697 CCN(C)C(=O)CSCCC1CC1 62a_100000764125_100000738999 [0,1,0,1,0,0|2,0,0]=4 19953 B13R1.702 CCN(C)C(=O)CNCC1CCC1 2230a_100000738700_100000738999 [0,1,0,1,0,0|2,0,0]=4 19954 B13R1.702 CCN(C)C(=O)CNCC1CCC1 34a_100000738700_100000738999 [0,1,0,1,0,0|2,0,0]=4 19955 B13R1.702 CCN(C)C(=O)COCC1CCC1 34a_100000760304_100000738999 [0,1,0,1,0,0|2,0,0]=4 19956 B13R1.702 CCN(C)C(=O)CSCC1CCC1 62a_100000738999_100000763275 [0,1,0,1,0,0|2,0,0]=4 19957 B13R1.702 CCN(C)C(=O)CSCC1CCC1 62a_100000763275_100000738999 [0,1,0,1,0,0|2,0,0]=4 19958 B13R1.704 CCN(C)C(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000738999 [0,1,0,1,0,0|2,0,0]=4 19959 B13R1.704 CCN(C)C(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000738999 [0,1,0,1,0,0|2,0,0]=4 19960 B13R1.704 CCN(C)C(=O)CN1CCC[C@H]1C 2230a_100015189458_100000738999 [0,1,0,1,0,0|2,0,0]=4 19961 B13R1.704 CCN(C)C(=O)CN1CCC[C@H]1C 269982a_100015189458_100000738999 [0,1,0,1,0,0|2,0,0]=4 19962 B13R1.704 CCN(C)C(=O)CN1CCC[C@H]1C 34a_100015189458_100000738999 [0,1,0,1,0,0|2,0,0]=4 19963 B13R1.1602 CCCCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210211 [0,1,0,1,0,0|2,0,0]=4 19964 B13R1.1602 CCCCN1CCC(=O)N(CC1)C 269982a_100020591582_100000210211 [0,1,0,1,0,0|2,0,0]=4 19965 B13R1.1602 CCCCN1CCC(=O)N(CC1)C 34a_100020591582_100000210210 [0,1,0,1,0,0|2,0,0]=4 19966 B13R1.1878 CCN(C)C(=O)COCC1CC1C 34a_100000744939_100000738999 [0,1,0,1,0,0|2,0,0]=4 19967 B13R1.1878 CCN(C)C(=O)COCC1CC1C 7a_100000744939_100000738999 [0,1,0,1,0,0|2,0,0]=4 19968 B13R1.2620 C/C=C(\C)/C(=O)C1CCCCCC1 1458a_100020587367_100011217769 [0,1,0,1,0,0|1,0,1]=4 19969 B13R1.2620 CCC(C)C(=O)C1CCCCCC1 1458a_100000749507_100000758301 [0,1,0,1,0,0|1,0,0]=3 19970 B13R1.2620 CCC(C)C(=O)C1CCCCCC1 1458a_100011192722_100011217769 [0,1,0,1,0,0|1,0,0]=3 19971 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 11a_100000185865_100011192722 [0,1,0,1,0,0|2,0,0]=4 19972 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 1626a_100000185865_100011192722 [0,1,0,1,0,0|2,0,0]=4 19973 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 240690a_100000185865_100011192722 [0,1,0,1,0,0|2,0,0]=4 19974 B13R1.2620 CCC(C)C(=O)N1CCCCCC1 527a_100000185865_100011192722 [0,1,0,1,0,0|2,0,0]=4 19975 B13R1.2620 CCC(O)C(=O)C1CCCCCC1 1458a_100011196387_100011217769 [0,1,0,1,0,0|1,0,0]=3 19976 B13R1.2620 CCC(O)C(=O)N1CCCCCC1 240690a_100000185865_100011196387 [0,1,0,1,0,0|2,0,0]=4 19977 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 11a_100000225621_100000749507 [0,1,0,1,0,0|1,0,0]=3 19978 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 1626a_100000225621_100000749507 [0,1,0,1,0,0|1,0,0]=3 19979 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 240690a_100000225621_100000749507 [0,1,0,1,0,0|1,0,0]=3 19980 B13R1.2620 CCN(C)C(=O)C1CCCCCC1 527a_100000225621_100000749507 [0,1,0,1,0,0|1,0,0]=3 19981 B13R1.2620 CNC(=O)C(=O)C1CCCCCC1 1458a_100011218921_100011217769 [0,1,0,1,0,0|2,0,0]=4 19982 B13R1.2620 COC(C)C(=O)C1CCCCCC1 1458a_100000743197_100011217769 [0,1,0,1,0,0|2,0,0]=4 19983 B13R1.2620 CSC(C)C(=O)C1CCCCCC1 1458a_100000149566_100011217769 [0,1,0,1,0,0|2,0,0]=4 19984 B13R1.2620 O=C(C(O)CO)C1CCCCCC1 1458a_100011215603_100011217769 [0,1,0,1,0,0|2,0,0]=4 19985 B13R1.3440 CCCCCNC1CCN(C1=O)C 2230a_100000209983_100000755940 [0,1,0,1,0,0|2,0,0]=4 19986 B13R1.3440 CCCCCOC1CCN(C1=O)C 34a_100000210253_100000755940 [0,1,0,1,0,0|2,0,0]=4 19987 B13R1.3440 CCCCCOC1CCN(C1=O)C 7a_100000210253_100000755940 [0,1,0,1,0,0|2,0,0]=4 19988 B13R1.3440 CCCCCSC1CCN(C1=O)C 62a_100000210326_100000755940 [0,1,0,1,0,0|2,0,0]=4 19989 B13R1.3440 CCCCCSC1CCN(C1=O)C 62a_100000755940_100000210326 [0,1,0,1,0,0|2,0,0]=4 19990 B13R1.3440 CCCCOCC1CCN(C1=O)C 34a_100009823153_100000210210 [0,1,0,1,0,0|2,0,0]=4 19991 B13R1.3572 C#CCCCCCC(=O)C1CCO1 1458a_100000089072_100012094781 [0,1,0,1,0,0|0,0,2]=4 19992 B13R1.3572 C=CCCCCCC(=O)C1CCO1 1458a_100000089072_100000700193 [0,1,0,1,0,0|0,0,2]=4 19993 B13R1.3572 CCCCCCCC(=O)C1CCC1 1458a_100000209988_100000210614 [0,1,0,1,0,0|1,0,0]=3 19994 B13R1.3572 CCCCCCCC(=O)C1CCC1 1458a_100000211969_100000749161 [0,1,0,1,0,0|1,0,0]=3 19995 B13R1.3572 CCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210614 [0,1,0,1,0,0|0,0,0]=2 19996 B13R1.3572 CCCCCCCC(=O)C1COC1 1458a_100000211969_100000687716 [0,1,0,1,0,0|1,0,0]=3 19997 B13R1.3572 CCCCCCCC(=O)C1COC1 1458a_100000758290_100000210614 [0,1,0,1,0,0|1,0,0]=3 19998 B13R1.3572 CCCCCCCC(=O)N1CCC1 11a_100000754969_100000211969 [0,1,0,1,0,0|1,0,0]=3 19999 B13R1.3572 CCCCCCCC(=O)N1CCC1 240690a_100000754969_100000211969 [0,1,0,1,0,0|1,0,0]=3 20000 B13R1.3572 CCCCCCCC(=O)N1CCC1 527a_100000754969_100000211969 [0,1,0,1,0,0|1,0,0]=3 20001 B13R1.3572 CCCCCCNC(=O)C1CCC1 11a_100000210581_100000209988 [0,1,0,1,0,0|2,0,0]=4 20002 B13R1.3572 CCCCCCNC(=O)C1CCC1 1626a_100000210581_100000209988 [0,1,0,1,0,0|2,0,0]=4 20003 B13R1.3572 CCCCCCNC(=O)C1CCC1 240690a_100000210581_100000209988 [0,1,0,1,0,0|2,0,0]=4 20004 B13R1.3572 CCCCCCNC(=O)C1CCC1 527a_100000210581_100000209988 [0,1,0,1,0,0|2,0,0]=4 20005 B13R1.3572 CCCCCCNC(=O)C1CCO1 11a_100000210581_100000089072 [0,1,0,1,0,0|1,0,0]=3 20006 B13R1.3572 CCCCCCNC(=O)C1CCO1 1626a_100000210581_100000089072 [0,1,0,1,0,0|1,0,0]=3 20007 B13R1.3572 CCCCCCNC(=O)C1CCO1 240690a_100000210581_100000089072 [0,1,0,1,0,0|1,0,0]=3 20008 B13R1.3572 CCCCCCNC(=O)C1CCO1 527a_100000210581_100000089072 [0,1,0,1,0,0|1,0,0]=3 20009 B13R1.3572 CCCCCCNC(=O)C1COC1 11a_100000210581_100000758290 [0,1,0,1,0,0|2,0,0]=4 20010 B13R1.3572 CCCCCCNC(=O)C1COC1 1626a_100000210581_100000758290 [0,1,0,1,0,0|2,0,0]=4 20011 B13R1.3572 CCCCCCNC(=O)C1COC1 240690a_100000210581_100000758290 [0,1,0,1,0,0|2,0,0]=4 20012 B13R1.3572 CCCCCCNC(=O)C1COC1 527a_100000210581_100000758290 [0,1,0,1,0,0|2,0,0]=4 20013 B13R1.3572 CCCCCCNC(=O)N1CCC1 2708a_100000210581_100000754969 [0,1,0,1,0,0|2,0,0]=4 20014 B13R1.3572 CCCCCCNC(=O)N1CCC1 273464a_100000210581_100000754969 [0,1,0,1,0,0|2,0,0]=4 20015 B13R1.3572 CCCCCNCC(=O)C1CCC1 2230a_100000209983_100000686122 [0,1,0,1,0,0|2,0,0]=4 20016 B13R1.3572 CCCCCNCC(=O)N1CCC1 2230a_100000209983_100000185095 [0,1,0,1,0,0|2,0,0]=4 20017 B13R1.3572 CCCCCNNC(=O)C1CCO1 22a_100000694160_100000089072 [0,1,0,1,0,0|2,0,0]=4 20018 B13R1.3572 CCCCCOCC(=O)C1CCC1 34a_100000210253_100000686122 [0,1,0,1,0,0|2,0,0]=4 20019 B13R1.3572 CCCCCOCC(=O)C1CCC1 7a_100000210253_100000686122 [0,1,0,1,0,0|2,0,0]=4 20020 B13R1.3572 CCCCCOCC(=O)N1CCC1 34a_100000210253_100000185095 [0,1,0,1,0,0|2,0,0]=4 20021 B13R1.3572 CCCCCOCC(=O)N1CCC1 7a_100000210253_100000185095 [0,1,0,1,0,0|2,0,0]=4 20022 B13R1.3572 CCCCCSCC(=O)C1CCC1 62a_100000210326_100000686122 [0,1,0,1,0,0|2,0,0]=4 20023 B13R1.3572 CCCCCSCC(=O)C1CCC1 62a_100000686122_100000210326 [0,1,0,1,0,0|2,0,0]=4 20024 B13R1.3572 CCCCCSCC(=O)N1CCC1 62a_100000185095_100000210326 [0,1,0,1,0,0|2,0,0]=4 20025 B13R1.3572 CCCCCSCC(=O)N1CCC1 62a_100000210326_100000185095 [0,1,0,1,0,0|2,0,0]=4 20026 B13R1.3572 CCCCOCCC(=O)C1CCC1 1458a_100000209988_100000743108 [0,1,0,1,0,0|2,0,0]=4 20027 B13R1.3572 CCCCOCCC(=O)C1CCO1 1458a_100000089072_100000743108 [0,1,0,1,0,0|1,0,0]=3 20028 B13R1.3572 CCCCOCCC(=O)C1COC1 1458a_100000758290_100000743108 [0,1,0,1,0,0|2,0,0]=4 20029 B13R1.3572 CCCOCCNC(=O)C1CCO1 1626a_100161115042_100000089072 [0,1,0,1,0,0|2,0,0]=4 20030 B13R1.3572 CCCOCCNC(=O)C1CCO1 240690a_100161115042_100000089072 [0,1,0,1,0,0|2,0,0]=4 20031 B13R1.3572 CCCOCCNC(=O)C1CCO1 527a_100161115042_100000089072 [0,1,0,1,0,0|2,0,0]=4 20032 B13R1.3572 CCCSCCNC(=O)C1CCO1 11a_100020603323_100000089072 [0,1,0,1,0,0|2,0,0]=4 20033 B13R1.3572 CCCSCCNC(=O)C1CCO1 240690a_100020603323_100000089072 [0,1,0,1,0,0|2,0,0]=4 20034 B13R1.3572 CCCSCCNC(=O)C1CCO1 527a_100020603323_100000089072 [0,1,0,1,0,0|2,0,0]=4 20035 B13R1.3572 CCOCCCNC(=O)C1CCO1 11a_100000210961_100000089072 [0,1,0,1,0,0|2,0,0]=4 20036 B13R1.3572 CCOCCCNC(=O)C1CCO1 1626a_100000210961_100000089072 [0,1,0,1,0,0|2,0,0]=4 20037 B13R1.3572 CCOCCCNC(=O)C1CCO1 240690a_100000210961_100000089072 [0,1,0,1,0,0|2,0,0]=4 20038 B13R1.3572 CCOCCCNC(=O)C1CCO1 527a_100000210961_100000089072 [0,1,0,1,0,0|2,0,0]=4 20039 B13R1.3572 COCCCCCC(=O)C1CCC1 1458a_100011935119_100000749161 [0,1,0,1,0,0|2,0,0]=4 20040 B13R1.3572 COCCCCCC(=O)C1COC1 1458a_100011935119_100000687716 [0,1,0,1,0,0|2,0,0]=4 20041 B13R1.3572 COCCCCCC(=O)N1CCC1 11a_100000754969_100011935119 [0,1,0,1,0,0|2,0,0]=4 20042 B13R1.3572 COCCCCCC(=O)N1CCC1 240690a_100000754969_100011935119 [0,1,0,1,0,0|2,0,0]=4 20043 B13R1.3572 COCCCCCC(=O)N1CCC1 527a_100000754969_100011935119 [0,1,0,1,0,0|2,0,0]=4 20044 B13R1.3572 COCCOCCC(=O)C1CCO1 1458a_100000089072_100000695917 [0,1,0,1,0,0|2,0,0]=4 20045 B13R1.3572 N#CCCCCCC(=O)C1CCO1 1458a_100000089072_100009813376 [0,1,0,1,0,0|1,0,1]=4 20046 B13R1.3572 O=C(CCCCCCF)C1CCC1 1458a_100000209988_100015922095 [0,1,0,1,0,0|2,0,0]=4 20047 B13R1.3572 O=C(CCCCCCF)C1CCO1 1458a_100000089072_100015922095 [0,1,0,1,0,0|1,0,0]=3 20048 B13R1.3572 O=C(CCCCCCF)C1COC1 1458a_100000758290_100015922095 [0,1,0,1,0,0|2,0,0]=4 20049 B13R1.3572 O=C(CCCCCCO)C1CCC1 1458a_100000209988_100000766143 [0,1,0,1,0,0|2,0,0]=4 20050 B13R1.3572 O=C(CCCCCCO)C1CCC1 1458a_100011996774_100000749161 [0,1,0,1,0,0|2,0,0]=4 20051 B13R1.3572 O=C(CCCCCCO)C1CCO1 1458a_100000089072_100000766143 [0,1,0,1,0,0|1,0,0]=3 20052 B13R1.3572 O=C(CCCCCCO)C1COC1 1458a_100000758290_100000766143 [0,1,0,1,0,0|2,0,0]=4 20053 B13R1.3572 O=C(CCCCCCO)C1COC1 1458a_100011996774_100000687716 [0,1,0,1,0,0|2,0,0]=4 20054 B13R1.3572 O=C(CCCCCCO)N1CCC1 240690a_100000754969_100011996774 [0,1,0,1,0,0|2,0,0]=4 20055 B13R1.3572 O=C(NCCCCCO)C1CCO1 240690a_100000762737_100000089072 [0,1,0,1,0,0|2,0,0]=4 20056 B13R1.3573 CC1(CC1)C(=O)CCCCCCF 1458a_100000756474_100015922095 [0,1,0,1,0,0|2,0,0]=4 20057 B13R1.3573 CC1(CC1)C(=O)CCCCCCO 1458a_100000756474_100000766143 [0,1,0,1,0,0|2,0,0]=4 20058 B13R1.3573 CCCCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210614 [0,1,0,1,0,0|1,0,0]=3 20059 B13R1.3573 CCCCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210614 [0,1,0,1,0,0|1,0,0]=3 20060 B13R1.3573 CCCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210614 [0,1,0,1,0,0|1,0,0]=3 20061 B13R1.3573 CCCCCCNC(=O)C1(CC1)C 11a_100000210581_100000756474 [0,1,0,1,0,0|2,0,0]=4 20062 B13R1.3573 CCCCCCNC(=O)C1(CC1)C 1626a_100000210581_100000756474 [0,1,0,1,0,0|2,0,0]=4 20063 B13R1.3573 CCCCCCNC(=O)C1(CC1)C 240690a_100000210581_100000756474 [0,1,0,1,0,0|2,0,0]=4 20064 B13R1.3573 CCCCCCNC(=O)C1(CC1)C 527a_100000210581_100000756474 [0,1,0,1,0,0|2,0,0]=4 20065 B13R1.3573 CCCCCCNC(=O)C1(CC1)F 11a_100000210581_100000055089 [0,1,0,1,0,0|2,0,0]=4 20066 B13R1.3573 CCCCCCNC(=O)C1(CC1)F 1626a_100000210581_100000055089 [0,1,0,1,0,0|2,0,0]=4 20067 B13R1.3573 CCCCCCNC(=O)C1(CC1)F 240690a_100000210581_100000055089 [0,1,0,1,0,0|2,0,0]=4 20068 B13R1.3573 CCCCCCNC(=O)C1(CC1)F 527a_100000210581_100000055089 [0,1,0,1,0,0|2,0,0]=4 20069 B13R1.3573 CCCCCCNC(=O)C1(CC1)O 240690a_100000210581_100000241761 [0,1,0,1,0,0|2,0,0]=4 20070 B13R1.3573 CCCCOCCC(=O)C1(CC1)C 1458a_100000756474_100000743108 [0,1,0,1,0,0|2,0,0]=4 20071 B13R1.3573 CCCCOCCC(=O)C1(CC1)F 1458a_100000055089_100000743108 [0,1,0,1,0,0|2,0,0]=4 20072 B13R1.3573 CCCCOCCC(=O)C1(CC1)O 1458a_100000241761_100000743108 [0,1,0,1,0,0|2,0,0]=4 20073 B13R1.3573 O=C(CCCCCCF)C1(CC1)F 1458a_100000055089_100015922095 [0,1,0,1,0,0|2,0,0]=4 20074 B13R1.3573 O=C(CCCCCCF)C1(CC1)O 1458a_100000241761_100015922095 [0,1,0,1,0,0|2,0,0]=4 20075 B13R1.3573 O=C(CCCCCCO)C1(CC1)F 1458a_100000055089_100000766143 [0,1,0,1,0,0|2,0,0]=4 20076 B13R1.3573 O=C(CCCCCCO)C1(CC1)O 1458a_100000241761_100000766143 [0,1,0,1,0,0|2,0,0]=4 20077 B13R1.18 CCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210211 [0,1,0,1,0,0|1,0,1]=4 20078 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210183 [0,1,0,1,0,0|1,0,1]=4 20079 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210183 [0,1,0,1,0,0|1,0,1]=4 20080 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210183 [0,1,0,1,0,0|1,0,1]=4 20081 B13R1.18 CCCCC(C)N1CCNC(=O)C1 2230a_100000184651_200011215066 [0,1,0,1,0,0|2,0,0]=4 20082 B13R1.18 CCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000210087 [0,1,0,1,0,0|2,0,0]=4 20083 B13R1.18 CCCCC(C)N1CCOC(=O)C1 2230a_100000131268_200011215066 [0,1,0,1,0,0|1,0,0]=3 20084 B13R1.18 CCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210087 [0,1,0,1,0,0|1,0,0]=3 20085 B13R1.18 CCSCC(C)N1CCOC(=O)C1 270004a_100000131268_200011216171 [0,1,0,1,0,0|2,0,0]=4 20086 B13R1.18 COCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000742357 [0,1,0,1,0,0|2,0,0]=4 20087 B13R1.18 CSCCC(C)N1CCOC(=O)C1 270004a_100000131268_100011217047 [0,1,0,1,0,0|2,0,0]=4 20088 B13R1.41 CCCC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000747444 [0,1,0,1,0,0|2,0,0]=4 20089 B13R1.41 CCNC(=O)CCN1CCC(C1)O 2230a_100011215560_100000737597 [0,1,0,1,0,0|2,0,0]=4 20090 B13R1.41 CCNC(=O)CCN1CCC(C1)O 269982a_100011215560_100000737597 [0,1,0,1,0,0|2,0,0]=4 20091 B13R1.41 CCNC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100000737597 [0,1,0,1,0,0|2,0,0]=4 20092 B13R1.41 CCNC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100000737597 [0,1,0,1,0,0|2,0,0]=4 20093 B13R1.41 CCNC(=O)CCN1CC[C@H](C1)C 2230a_100016987628_100000737597 [0,1,0,1,0,0|2,0,0]=4 20094 B13R1.41 CCNC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000737597 [0,1,0,1,0,0|2,0,0]=4 20095 B13R1.41 CCNC(=O)CNC1CCC(C1)C 270004a_100016988866_100011215218 [0,1,0,1,0,0|2,0,0]=4 20096 B13R1.41 CCNC(=O)CNC1CCC(C1)O 270004a_100016988866_100012614533 [0,1,0,1,0,0|2,0,0]=4 20097 B13R1.41 CCNC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000183381 [0,1,0,1,0,0|2,0,0]=4 20098 B13R1.41 CCNC(=O)COC1CCC(C1)C 34a_100000698185_100000183381 [0,1,0,1,0,0|2,0,0]=4 20099 B13R1.41 CCOC(=O)CCN1CCC(C1)O 2230a_100011215560_100011206558 [0,1,0,1,0,0|1,0,0]=3 20100 B13R1.41 CCOC(=O)CCN1CCC(C1)O 269982a_100011215560_100011206558 [0,1,0,1,0,0|1,0,0]=3 20101 B13R1.41 CCOC(=O)CCN1CC[C@@H](C1)F 2230a_100015203821_100011206558 [0,1,0,1,0,0|1,0,0]=3 20102 B13R1.41 CCOC(=O)CCN1CC[C@@H](C1)F 269982a_100015203821_100011206558 [0,1,0,1,0,0|1,0,0]=3 20103 B13R1.41 CCOC(=O)CCN1CC[C@@H](C1)F 34a_100015203821_100000765890 [0,1,0,1,0,0|1,0,0]=3 20104 B13R1.41 CCOC(=O)CCN1CC[C@H](C1)C 2230a_100016987628_100011206558 [0,1,0,1,0,0|1,0,0]=3 20105 B13R1.41 CCOC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100011206558 [0,1,0,1,0,0|1,0,0]=3 20106 B13R1.41 CCOC(=O)CCN1CC[C@H](C1)C 34a_100016987628_100000765890 [0,1,0,1,0,0|1,0,0]=3 20107 B13R1.41 CCOC(=O)CN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000188475 [0,1,0,1,0,0|1,0,0]=3 20108 B13R1.41 CCOC(=O)COC1CCC(=O)C1 34a_100012614533_100000188475 [0,1,0,1,0,0|1,0,1]=4 20109 B13R1.41 CCOC(=O)COC1CCC(C1)C 34a_100000698185_100000188475 [0,1,0,1,0,0|1,0,0]=3 20110 B13R1.41 CCOC(=O)CSC1CCN(C1)C 62a_100000188475_200012183744 [0,1,0,1,0,0|2,0,0]=4 20111 B13R1.77 CCCCC1CCC(CC1)OCC 34a_200000035503_100000210202 [0,1,0,1,0,0|1,0,1]=4 20112 B13R1.77 CCCCC1CCC(CC1)OCC 7a_200000035503_100000210202 [0,1,0,1,0,0|1,0,1]=4 20113 B13R1.153 C#CCCC(=O)CCC1CCCC1 1458a_100000211120_100000753159 [0,1,0,1,0,0|1,0,1]=4 20114 B13R1.153 C#CCCC(=O)CCC1CCCC1 1458a_100000692101_100000760354 [0,1,0,1,0,0|1,0,1]=4 20115 B13R1.153 C#CCNC(=O)CCC1CCCC1 11a_100000212058_100000211120 [0,1,0,1,0,0|1,0,1]=4 20116 B13R1.153 C#CCNC(=O)CCC1CCCC1 1626a_100000212058_100000211120 [0,1,0,1,0,0|1,0,1]=4 20117 B13R1.153 C#CCNC(=O)CCC1CCCC1 240690a_100000212058_100000211120 [0,1,0,1,0,0|1,0,1]=4 20118 B13R1.153 C#CCNC(=O)CCC1CCCC1 527a_100000212058_100000211120 [0,1,0,1,0,0|1,0,1]=4 20119 B13R1.153 C/C=C/CC(=O)CCC1CCCC1 1458a_100000211120_100102629194 [0,1,0,1,0,0|1,0,1]=4 20120 B13R1.153 C=C(CNC1CCCC1)OCOC 34a_100000211070_100000042856 [0,1,0,1,0,0|2,0,0]=4 20121 B13R1.153 C=C(COC1CCCC1)OCOC 34a_100000210269_100000042856 [0,1,0,1,0,0|2,0,0]=4 20122 B13R1.153 C=C(CSC1CCCC1)OCOC 62a_100000042856_100000179811 [0,1,0,1,0,0|2,0,0]=4 20123 B13R1.153 C=C(CSC1CCCC1)OCOC 62a_100011217020_100000042856 [0,1,0,1,0,0|2,0,0]=4 20124 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000211120_100000754431 [0,1,0,1,0,0|1,0,1]=4 20125 B13R1.153 C=CCCC(=O)CCC1CCCC1 1458a_100000749702_100000760354 [0,1,0,1,0,0|1,0,1]=4 20126 B13R1.153 C=CCNC(=O)CCC1CCCC1 1626a_100020586998_100000211120 [0,1,0,1,0,0|1,0,1]=4 20127 B13R1.153 C=CCNC(=O)CCC1CCCC1 240690a_100020586998_100000211120 [0,1,0,1,0,0|1,0,1]=4 20128 B13R1.153 C=CCNC(=O)CCC1CCCC1 527a_100020586998_100000211120 [0,1,0,1,0,0|1,0,1]=4 20129 B13R1.153 C=CCOC(=O)CNC1CCCC1 2230a_100000211070_100000033060 [0,1,0,1,0,0|1,0,1]=4 20130 B13R1.153 C=CCOC(=O)CNC1CCCC1 34a_100000211070_100000033060 [0,1,0,1,0,0|1,0,1]=4 20131 B13R1.153 C=CCOC(=O)COC1CCCC1 34a_100000210269_100000033060 [0,1,0,1,0,0|1,0,1]=4 20132 B13R1.153 C=CCOC(=O)COC1CCCC1 7a_100000210269_100000033060 [0,1,0,1,0,0|1,0,1]=4 20133 B13R1.153 C=CCOC(=O)CSC1CCCC1 62a_100000033060_100000179811 [0,1,0,1,0,0|1,0,1]=4 20134 B13R1.153 C=CCOC(=O)CSC1CCCC1 62a_100011217020_100000033060 [0,1,0,1,0,0|1,0,1]=4 20135 B13R1.153 CC#CCC(=O)CCC1CCCC1 1458a_100000211120_100000748600 [0,1,0,1,0,0|1,0,1]=4 20136 B13R1.153 CC=CCC(=O)CCC1CCCC1 1458a_100000211120_100000070051 [0,1,0,1,0,0|1,0,1]=4 20137 B13R1.153 CC=CCC(=O)CCC1CCCC1 1458a_100121576822_100000760354 [0,1,0,1,0,0|1,0,1]=4 20138 B13R1.153 CCC#CC(=O)CCC1CCCC1 1458a_100011827653_100000760354 [0,1,0,1,0,0|1,0,0]=3 20139 B13R1.153 CCC#CC(=O)CCN1CCCC1 1458a_100011827653_100000004467 [0,1,0,1,0,0|2,0,0]=4 20140 B13R1.153 CCC=CC(=O)CCC1CCCC1 1458a_100000212282_100000760354 [0,1,0,1,0,0|1,0,0]=3 20141 B13R1.153 CCC=CC(=O)CCN1CCCC1 1458a_100000212282_100000004467 [0,1,0,1,0,0|2,0,0]=4 20142 B13R1.153 CCC=CC(=O)NCC1CCCC1 11a_100000737975_100000212282 [0,1,0,1,0,0|2,0,0]=4 20143 B13R1.153 CCC=CC(=O)NCC1CCCC1 1626a_100000737975_100000212282 [0,1,0,1,0,0|2,0,0]=4 20144 B13R1.153 CCC=CC(=O)NCC1CCCC1 240690a_100000737975_100000212282 [0,1,0,1,0,0|2,0,0]=4 20145 B13R1.153 CCCCC(=O)CCC1CCCC1 1458a_100000210183_100000760354 [0,1,0,1,0,0|1,0,0]=3 20146 B13R1.153 CCCCC(=O)CCC1CCCC1 1458a_100000211120_100000210211 [0,1,0,1,0,0|1,0,0]=3 20147 B13R1.153 CCCCC(=O)CCC1CCCO1 1458a_100011247709_100000210211 [0,1,0,1,0,0|2,0,0]=4 20148 B13R1.153 CCCCC(=O)CCN1CCCC1 1458a_100000210183_100000004467 [0,1,0,1,0,0|2,0,0]=4 20149 B13R1.153 CCCCC(=O)CCN1CCCC1 1458a_100000738983_100000210211 [0,1,0,1,0,0|2,0,0]=4 20150 B13R1.153 CCCCC(=O)COC1CCCC1 1458a_100000741352_100000210211 [0,1,0,1,0,0|2,0,0]=4 20151 B13R1.153 CCCCC(=O)NCC1CCCC1 11a_100000737975_100000210183 [0,1,0,1,0,0|2,0,0]=4 20152 B13R1.153 CCCCC(=O)NCC1CCCC1 1626a_100000737975_100000210183 [0,1,0,1,0,0|2,0,0]=4 20153 B13R1.153 CCCCC(=O)NCC1CCCC1 240690a_100000737975_100000210183 [0,1,0,1,0,0|2,0,0]=4 20154 B13R1.153 CCCCC(=O)NCC1CCCC1 527a_100000737975_100000210183 [0,1,0,1,0,0|2,0,0]=4 20155 B13R1.153 CCCNC(=O)CCC1CCCC1 11a_100020643023_100000211120 [0,1,0,1,0,0|1,0,0]=3 20156 B13R1.153 CCCNC(=O)CCC1CCCC1 1626a_100020643023_100000211120 [0,1,0,1,0,0|1,0,0]=3 20157 B13R1.153 CCCNC(=O)CCC1CCCC1 240690a_100020643023_100000211120 [0,1,0,1,0,0|1,0,0]=3 20158 B13R1.153 CCCNC(=O)CCC1CCCC1 527a_100020643023_100000211120 [0,1,0,1,0,0|1,0,0]=3 20159 B13R1.153 CCCNC(=O)CCC1CCCO1 11a_100020643023_100011247709 [0,1,0,1,0,0|2,0,0]=4 20160 B13R1.153 CCCNC(=O)CCC1CCCO1 1626a_100020643023_100011247709 [0,1,0,1,0,0|2,0,0]=4 20161 B13R1.153 CCCNC(=O)CCC1CCCO1 240690a_100020643023_100011247709 [0,1,0,1,0,0|2,0,0]=4 20162 B13R1.153 CCCNC(=O)CCC1CCCO1 527a_100020643023_100011247709 [0,1,0,1,0,0|2,0,0]=4 20163 B13R1.153 CCCNC(=O)CCN1CCCC1 240690a_100020643023_100000738983 [0,1,0,1,0,0|2,0,0]=4 20164 B13R1.153 CCCNC(=O)CNC1CCCC1 2230a_100000174927_100000179811 [0,1,0,1,0,0|2,0,0]=4 20165 B13R1.153 CCCNC(=O)CNC1CCCC1 2230a_100000211070_100000183358 [0,1,0,1,0,0|2,0,0]=4 20166 B13R1.153 CCCNC(=O)CNC1CCCC1 270004a_100000174927_100000210133 [0,1,0,1,0,0|2,0,0]=4 20167 B13R1.153 CCCNC(=O)CNC1CCCC1 34a_100000211070_100000183358 [0,1,0,1,0,0|2,0,0]=4 20168 B13R1.153 CCCNC(=O)COC1CCCC1 11a_100020643023_100000741352 [0,1,0,1,0,0|2,0,0]=4 20169 B13R1.153 CCCNC(=O)COC1CCCC1 1626a_100020643023_100000741352 [0,1,0,1,0,0|2,0,0]=4 20170 B13R1.153 CCCNC(=O)COC1CCCC1 240690a_100020643023_100000741352 [0,1,0,1,0,0|2,0,0]=4 20171 B13R1.153 CCCNC(=O)COC1CCCC1 34a_100000210269_100000183358 [0,1,0,1,0,0|2,0,0]=4 20172 B13R1.153 CCCNC(=O)COC1CCCC1 527a_100020643023_100000741352 [0,1,0,1,0,0|2,0,0]=4 20173 B13R1.153 CCCNC(=O)COC1CCCC1 7a_100000210269_100000183358 [0,1,0,1,0,0|2,0,0]=4 20174 B13R1.153 CCCNC(=O)CSC1CCCC1 62a_100000183358_100000179811 [0,1,0,1,0,0|2,0,0]=4 20175 B13R1.153 CCCNC(=O)CSC1CCCC1 62a_100011217020_100000183358 [0,1,0,1,0,0|2,0,0]=4 20176 B13R1.153 CCCNC(=O)NCC1CCCC1 2708a_100000737975_100020643023 [0,1,0,1,0,0|2,0,0]=4 20177 B13R1.153 CCCNC(=O)NCC1CCCC1 2708a_100020643023_100000737975 [0,1,0,1,0,0|2,0,0]=4 20178 B13R1.153 CCCNC(=O)NCC1CCCC1 273464a_100000737975_100020643023 [0,1,0,1,0,0|2,0,0]=4 20179 B13R1.153 CCCNC(=O)NCC1CCCC1 273464a_100020643023_100000737975 [0,1,0,1,0,0|2,0,0]=4 20180 B13R1.153 CCCNC(=O)NCC1CCCC1 512a_100000737975_100020643023 [0,1,0,1,0,0|2,0,0]=4 20181 B13R1.153 CCCNC(=O)NCC1CCCC1 512a_100020643023_100000737975 [0,1,0,1,0,0|2,0,0]=4 20182 B13R1.153 CCCOC(=O)CNC1CCCC1 2230a_100000211070_200011215008 [0,1,0,1,0,0|1,0,0]=3 20183 B13R1.153 CCCOC(=O)CNC1CCCC1 34a_100000211070_200011215008 [0,1,0,1,0,0|1,0,0]=3 20184 B13R1.153 CCCOC(=O)CN[C@@H]1CCOC1 2230a_200015188469_200011215008 [0,1,0,1,0,0|2,0,0]=4 20185 B13R1.153 CCCOC(=O)CN[C@H]1CCOC1 2230a_100015188467_200011215008 [0,1,0,1,0,0|2,0,0]=4 20186 B13R1.153 CCCOC(=O)CN[C@H]1CCOC1 34a_100015188467_200011215008 [0,1,0,1,0,0|2,0,0]=4 20187 B13R1.153 CCCOC(=O)COC1CCCC1 34a_100000210269_200011215008 [0,1,0,1,0,0|1,0,0]=3 20188 B13R1.153 CCCOC(=O)COC1CCCC1 7a_100000210269_200011215008 [0,1,0,1,0,0|1,0,0]=3 20189 B13R1.153 CCCOC(=O)COC1CCCO1 34a_100000085407_200011215008 [0,1,0,1,0,0|2,0,0]=4 20190 B13R1.153 CCCOC(=O)COC1CCSC1 7a_100011232664_200011215008 [0,1,0,1,0,0|2,0,0]=4 20191 B13R1.153 CCCOC(=O)CO[C@H]1CCOC1 34a_100000717292_200011215008 [0,1,0,1,0,0|2,0,0]=4 20192 B13R1.153 CCCOC(=O)CSC1CCCC1 62a_100011217020_200011215008 [0,1,0,1,0,0|1,0,0]=3 20193 B13R1.153 CCCOC(=O)CSC1CCCC1 62a_200011215008_100000179811 [0,1,0,1,0,0|1,0,0]=3 20194 B13R1.153 CCCOC(=O)CSC1CCOC1 62a_200011215008_100000690089 [0,1,0,1,0,0|2,0,0]=4 20195 B13R1.153 CCCOC(=O)OCN1CCCC1 269982a_100000188435_200000139673 [0,1,0,1,0,0|2,0,0]=4 20196 B13R1.153 CCNNC(=O)CCC1CCCC1 22a_100000756455_100000211120 [0,1,0,1,0,0|1,0,0]=3 20197 B13R1.153 CCNNC(=O)CCC1CCCO1 22a_100000756455_100011247709 [0,1,0,1,0,0|2,0,0]=4 20198 B13R1.153 CCNNC(=O)CCN1CCCC1 22a_100000756455_100000738983 [0,1,0,1,0,0|2,0,0]=4 20199 B13R1.153 CCNNC(=O)COC1CCCC1 22a_100000756455_100000741352 [0,1,0,1,0,0|2,0,0]=4 20200 B13R1.153 CCNNC(=O)NCC1CCCC1 273464a_100000737975_100000756455 [0,1,0,1,0,0|2,0,0]=4 20201 B13R1.153 CCNNC(=O)NCC1CCCC1 512a_100000737975_100000756455 [0,1,0,1,0,0|2,0,0]=4 20202 B13R1.153 CCNNC(=O)NCC1CCCC1 512a_100000756455_100000737975 [0,1,0,1,0,0|2,0,0]=4 20203 B13R1.153 CCOCC(=O)CCC1CCCC1 1458a_100000211967_100000760354 [0,1,0,1,0,0|0,0,0]=2 20204 B13R1.153 CCOCC(=O)CCC1OCCO1 1458a_100000211967_100000740749 [0,1,0,1,0,0|2,0,0]=4 20205 B13R1.153 CCOCC(=O)CCN1CCCC1 1458a_100000211967_100000004467 [0,1,0,1,0,0|1,0,0]=3 20206 B13R1.153 CCOCC(=O)NCC1CCCC1 11a_100000737975_100000211967 [0,1,0,1,0,0|1,0,0]=3 20207 B13R1.153 CCOCC(=O)NCC1CCCC1 1626a_100000737975_100000211967 [0,1,0,1,0,0|1,0,0]=3 20208 B13R1.153 CCOCC(=O)NCC1CCCC1 240690a_100000737975_100000211967 [0,1,0,1,0,0|1,0,0]=3 20209 B13R1.153 CCOCC(=O)NCC1CCCC1 527a_100000737975_100000211967 [0,1,0,1,0,0|1,0,0]=3 20210 B13R1.153 CCOCC(=O)NCC1CCOC1 11a_100000737293_100000211967 [0,1,0,1,0,0|2,0,0]=4 20211 B13R1.153 CCOCC(=O)NCC1CCOC1 1626a_100000737293_100000211967 [0,1,0,1,0,0|2,0,0]=4 20212 B13R1.153 CCOCC(=O)NCC1CCOC1 240690a_100000737293_100000211967 [0,1,0,1,0,0|2,0,0]=4 20213 B13R1.153 CCOCC(=O)NCC1CCOC1 527a_100000737293_100000211967 [0,1,0,1,0,0|2,0,0]=4 20214 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 11a_100020590478_100000211967 [0,1,0,1,0,0|2,0,0]=4 20215 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100000211967 [0,1,0,1,0,0|2,0,0]=4 20216 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100000211967 [0,1,0,1,0,0|2,0,0]=4 20217 B13R1.153 CCOCC(=O)NC[C@@H]1CCCO1 527a_100020590478_100000211967 [0,1,0,1,0,0|2,0,0]=4 20218 B13R1.153 CCOCC(=O)NNC1CCCC1 22a_100000737850_100000211967 [0,1,0,1,0,0|2,0,0]=4 20219 B13R1.153 CCSCC(=O)CCC1CCCC1 1458a_100000230394_100000760354 [0,1,0,1,0,0|0,1,0]=3 20220 B13R1.153 CCSCC(=O)CCN1CCCC1 1458a_100000230394_100000004467 [0,1,0,1,0,0|1,1,0]=4 20221 B13R1.153 CCSCC(=O)NCC1CCCC1 11a_100000737975_100000230394 [0,1,0,1,0,0|1,1,0]=4 20222 B13R1.153 CCSCC(=O)NCC1CCCC1 1626a_100000737975_100000230394 [0,1,0,1,0,0|1,1,0]=4 20223 B13R1.153 CCSCC(=O)NCC1CCCC1 240690a_100000737975_100000230394 [0,1,0,1,0,0|1,1,0]=4 20224 B13R1.153 CCSCC(=O)NCC1CCCC1 527a_100000737975_100000230394 [0,1,0,1,0,0|1,1,0]=4 20225 B13R1.153 COC=CC(=O)CCC1CCCC1 1458a_100016268678_100000760354 [0,1,0,1,0,0|1,0,1]=4 20226 B13R1.153 COCCC(=O)CCC1CCCC1 1458a_100000211120_100000233755 [0,1,0,1,0,0|1,0,0]=3 20227 B13R1.153 COCCC(=O)CCC1CCCC1 1458a_100000749529_100000760354 [0,1,0,1,0,0|1,0,0]=3 20228 B13R1.153 COCCC(=O)CCC1CCCO1 1458a_100011247709_100000233755 [0,1,0,1,0,0|2,0,0]=4 20229 B13R1.153 COCCC(=O)CCN1CCCC1 1458a_100000738983_100000233755 [0,1,0,1,0,0|2,0,0]=4 20230 B13R1.153 COCCC(=O)CCN1CCCC1 1458a_100000749529_100000004467 [0,1,0,1,0,0|2,0,0]=4 20231 B13R1.153 COCCC(=O)COC1CCCC1 1458a_100000741352_100000233755 [0,1,0,1,0,0|2,0,0]=4 20232 B13R1.153 COCCC(=O)NCC1CCCC1 11a_100000737975_100000749529 [0,1,0,1,0,0|2,0,0]=4 20233 B13R1.153 COCCC(=O)NCC1CCCC1 1626a_100000737975_100000749529 [0,1,0,1,0,0|2,0,0]=4 20234 B13R1.153 COCCC(=O)NCC1CCCC1 240690a_100000737975_100000749529 [0,1,0,1,0,0|2,0,0]=4 20235 B13R1.153 COCCC(=O)NCC1CCCC1 527a_100000737975_100000749529 [0,1,0,1,0,0|2,0,0]=4 20236 B13R1.153 CSCCC(=O)CCC1CCCC1 1458a_100000174002_100000760354 [0,1,0,1,0,0|1,0,0]=3 20237 B13R1.153 CSCCC(=O)CCC1CCCC1 1458a_100000211120_100000751147 [0,1,0,1,0,0|1,0,0]=3 20238 B13R1.153 CSCCC(=O)CCC1CCCO1 1458a_100011247709_100000751147 [0,1,0,1,0,0|2,0,0]=4 20239 B13R1.153 CSCCC(=O)CCN1CCCC1 1458a_100000174002_100000004467 [0,1,0,1,0,0|2,0,0]=4 20240 B13R1.153 CSCCC(=O)CCN1CCCC1 1458a_100000738983_100000751147 [0,1,0,1,0,0|2,0,0]=4 20241 B13R1.153 CSCCC(=O)COC1CCCC1 1458a_100000741352_100000751147 [0,1,0,1,0,0|2,0,0]=4 20242 B13R1.153 CSCCC(=O)NCC1CCCC1 11a_100000737975_100000174002 [0,1,0,1,0,0|2,0,0]=4 20243 B13R1.153 CSCCC(=O)NCC1CCCC1 1626a_100000737975_100000174002 [0,1,0,1,0,0|2,0,0]=4 20244 B13R1.153 CSCCC(=O)NCC1CCCC1 240690a_100000737975_100000174002 [0,1,0,1,0,0|2,0,0]=4 20245 B13R1.153 CSCCC(=O)NCC1CCCC1 527a_100000737975_100000174002 [0,1,0,1,0,0|2,0,0]=4 20246 B13R1.153 N#CCCC(=O)CCC1CCCC1 1458a_100000211120_100011215226 [0,1,0,1,0,0|1,0,1]=4 20247 B13R1.153 N#CCCC(=O)CCC1CCCC1 1458a_100011934036_100000760354 [0,1,0,1,0,0|1,0,1]=4 20248 B13R1.153 N#CCNC(=O)CCC1CCCC1 1626a_100000734998_100000211120 [0,1,0,1,0,0|1,0,1]=4 20249 B13R1.153 N#CCNC(=O)CCC1CCCC1 527a_100000734998_100000211120 [0,1,0,1,0,0|1,0,1]=4 20250 B13R1.153 O=C(C#CCO)CCC1CCCC1 1458a_100000049017_100000760354 [0,1,0,1,0,0|1,0,1]=4 20251 B13R1.153 O=C(CCC1CCCC1)NCCF 11a_100000724931_100000211120 [0,1,0,1,0,0|1,0,0]=3 20252 B13R1.153 O=C(CCC1CCCC1)NCCF 1626a_100000724931_100000211120 [0,1,0,1,0,0|1,0,0]=3 20253 B13R1.153 O=C(CCC1CCCC1)NCCF 240690a_100000724931_100000211120 [0,1,0,1,0,0|1,0,0]=3 20254 B13R1.153 O=C(CCC1CCCC1)NCCF 527a_100000724931_100000211120 [0,1,0,1,0,0|1,0,0]=3 20255 B13R1.153 O=C(CCC1CCCC1)NCCO 240690a_100000210304_100000211120 [0,1,0,1,0,0|1,0,0]=3 20256 B13R1.153 O=C(CCC1CCCC1)NCCO 527a_100000210304_100000211120 [0,1,0,1,0,0|1,0,0]=3 20257 B13R1.153 O=C(CCC1CCCO1)NCCF 11a_100000724931_100011247709 [0,1,0,1,0,0|2,0,0]=4 20258 B13R1.153 O=C(CCC1CCCO1)NCCF 1626a_100000724931_100011247709 [0,1,0,1,0,0|2,0,0]=4 20259 B13R1.153 O=C(CCC1CCCO1)NCCF 240690a_100000724931_100011247709 [0,1,0,1,0,0|2,0,0]=4 20260 B13R1.153 O=C(CCC1CCCO1)NCCF 527a_100000724931_100011247709 [0,1,0,1,0,0|2,0,0]=4 20261 B13R1.153 O=C(CCC1CCCO1)NCCO 240690a_100000210304_100011247709 [0,1,0,1,0,0|2,0,0]=4 20262 B13R1.153 O=C(CCC1CCCO1)NCCO 527a_100000210304_100011247709 [0,1,0,1,0,0|2,0,0]=4 20263 B13R1.153 O=C(CCCF)CCC1CCCC1 1458a_100000211120_100011934791 [0,1,0,1,0,0|1,0,0]=3 20264 B13R1.153 O=C(CCCF)CCC1CCCO1 1458a_100011247709_100011934791 [0,1,0,1,0,0|2,0,0]=4 20265 B13R1.153 O=C(CCCF)CCN1CCCC1 1458a_100000738983_100011934791 [0,1,0,1,0,0|2,0,0]=4 20266 B13R1.153 O=C(CCCF)COC1CCCC1 1458a_100000741352_100011934791 [0,1,0,1,0,0|2,0,0]=4 20267 B13R1.153 O=C(CCCO)CCC1CCCC1 1458a_100000211120_100011215043 [0,1,0,1,0,0|1,0,0]=3 20268 B13R1.153 O=C(CCCO)CCC1CCCO1 1458a_100011247709_100011215043 [0,1,0,1,0,0|2,0,0]=4 20269 B13R1.153 O=C(CCCO)CCN1CCCC1 1458a_100000738983_100011215043 [0,1,0,1,0,0|2,0,0]=4 20270 B13R1.153 O=C(CCCO)COC1CCCC1 1458a_100000741352_100011215043 [0,1,0,1,0,0|2,0,0]=4 20271 B13R1.153 O=C(CCN1CCCC1)NCCF 240690a_100000724931_100000738983 [0,1,0,1,0,0|2,0,0]=4 20272 B13R1.153 O=C(CCN1CCCC1)NCCO 240690a_100000210304_100000738983 [0,1,0,1,0,0|2,0,0]=4 20273 B13R1.153 O=C(CNC1CCCC1)NCCF 2230a_100000725713_100000179811 [0,1,0,1,0,0|2,0,0]=4 20274 B13R1.153 O=C(CNC1CCCC1)NCCF 270004a_100000725713_100000210133 [0,1,0,1,0,0|2,0,0]=4 20275 B13R1.153 O=C(COC1CCCC1)NCCF 11a_100000724931_100000741352 [0,1,0,1,0,0|2,0,0]=4 20276 B13R1.153 O=C(COC1CCCC1)NCCF 1626a_100000724931_100000741352 [0,1,0,1,0,0|2,0,0]=4 20277 B13R1.153 O=C(COC1CCCC1)NCCF 240690a_100000724931_100000741352 [0,1,0,1,0,0|2,0,0]=4 20278 B13R1.153 O=C(COC1CCCC1)NCCF 527a_100000724931_100000741352 [0,1,0,1,0,0|2,0,0]=4 20279 B13R1.153 O=C(COC1CCCC1)NCCO 240690a_100000210304_100000741352 [0,1,0,1,0,0|2,0,0]=4 20280 B13R1.153 O=C(COC1CCCC1)NCCO 527a_100000210304_100000741352 [0,1,0,1,0,0|2,0,0]=4 20281 B13R1.153 O=C(NCCF)NCC1CCCC1 2708a_100000737975_100000724931 [0,1,0,1,0,0|2,0,0]=4 20282 B13R1.153 O=C(NCCF)NCC1CCCC1 273464a_100000724931_100000737975 [0,1,0,1,0,0|2,0,0]=4 20283 B13R1.153 O=C(NCCF)NCC1CCCC1 273464a_100000737975_100000724931 [0,1,0,1,0,0|2,0,0]=4 20284 B13R1.153 O=C(NCCF)NCC1CCCC1 512a_100000737975_100000724931 [0,1,0,1,0,0|2,0,0]=4 20285 B13R1.153 O=C(NCCO)NCC1CCCC1 2708a_100000737975_100000210304 [0,1,0,1,0,0|2,0,0]=4 20286 B13R1.153 O=C(NCCO)NCC1CCCC1 273464a_100000210304_100000737975 [0,1,0,1,0,0|2,0,0]=4 20287 B13R1.153 O=C(NCCO)NCC1CCCC1 273464a_100000737975_100000210304 [0,1,0,1,0,0|2,0,0]=4 20288 B13R1.153 O=C(NCCO)NCC1CCCC1 512a_100000737975_100000210304 [0,1,0,1,0,0|2,0,0]=4 20289 B13R1.446 CCOC(=O)[C@@H]1C[C@H](CCN1C)C 2230a_200015568886_200000210301 [0,1,0,1,0,0|1,0,0]=3 20290 B13R1.446 CCOC(=O)[C@@H]1C[C@H](CCN1C)C 269982a_200015568886_200000210301 [0,1,0,1,0,0|1,0,0]=3 20291 B13R1.446 CCOC(=O)[C@@H]1C[C@H](CCN1[13CH3])C 2230a_200015568886_200025704644 [0,1,0,1,0,0|1,0,0]=3 20292 B13R1.446 CCOC(=O)[C@@H]1C[C@H](CCN1[13CH3])C 269982a_200015568886_200025704644 [0,1,0,1,0,0|1,0,0]=3 20293 B13R1.454 CCOC(=O)[C@@H]1C[C@H](CN1CC)O 2230a_100020626377_100000210202 [0,1,0,1,0,0|1,0,0]=3 20294 B13R1.454 CCOC(=O)[C@@H]1C[C@H](CN1CC)O 269982a_100020626377_100000204670 [0,1,0,1,0,0|1,0,0]=3 20295 B13R1.454 CCOC(=O)[C@@H]1C[C@H](CN1CF)O 269982a_100020626377_100015361967 [0,1,0,1,0,0|2,0,0]=4 20296 B13R1.494 CCCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210211 [0,1,0,1,0,0|1,0,0]=3 20297 B13R1.494 CCCOC1CC(C1)C(=O)OCC 7a_100000093532_100000210303 [0,1,0,1,0,0|1,0,0]=3 20298 B13R1.494 CCOC(=O)C1CC(C1)OCCF 7a_100000093532_100011217306 [0,1,0,1,0,0|2,0,0]=4 20299 B13R1.494 CCOC(=O)C1CC(C1)OCCO 7a_100000093532_100000211926 [0,1,0,1,0,0|2,0,0]=4 20300 B13R1.494 CCOC(=O)C1CN(C1)CCCF 269982a_100015188541_100011934791 [0,1,0,1,0,0|2,0,0]=4 20301 B13R1.494 CCOC(=O)C1CN(C1)CCCO 269982a_100015188541_100011215043 [0,1,0,1,0,0|2,0,0]=4 20302 B13R1.494 CCOC(=O)C1CN(C1)CCOC 269982a_100015188541_100000233755 [0,1,0,1,0,0|2,0,0]=4 20303 B13R1.494 CCOC(=O)C1CN(C1)CCSC 269982a_100015188541_100000212216 [0,1,0,1,0,0|2,0,0]=4 20304 B13R1.494 CCOCN1CC(C1)C(=O)OCC 269982a_100015188541_100000739092 [0,1,0,1,0,0|2,0,0]=4 20305 B13R1.686 C=C(CN1CCC[C@@H]1C)OCOC 269982a_100020605311_100000042856 [0,1,0,1,0,0|2,0,0]=4 20306 B13R1.686 C=C(CN1CCC[C@H]1C)OCOC 269982a_100015189458_100000042856 [0,1,0,1,0,0|2,0,0]=4 20307 B13R1.686 C=C(CN1CCC[C@H]1C)OCOC 34a_100015189458_100000042856 [0,1,0,1,0,0|2,0,0]=4 20308 B13R1.686 C=CCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000033060 [0,1,0,1,0,0|1,0,1]=4 20309 B13R1.686 C=CCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000033060 [0,1,0,1,0,0|1,0,1]=4 20310 B13R1.686 C=CCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000033060 [0,1,0,1,0,0|1,0,1]=4 20311 B13R1.686 C=CCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000033060 [0,1,0,1,0,0|1,0,1]=4 20312 B13R1.686 C=CCOC(=O)CN1CCC[C@H]1C 34a_100015189458_100000033060 [0,1,0,1,0,0|1,0,1]=4 20313 B13R1.686 CC(CCCCl)OC1CCOC1=O 34a_200000718107_100000211211 [0,1,0,1,0,0|2,0,0]=4 20314 B13R1.686 CC(CCCCl)OC1CCOC1=O 7a_200000718107_100000211211 [0,1,0,1,0,0|2,0,0]=4 20315 B13R1.686 CCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210211 [0,1,0,1,0,0|1,0,1]=4 20316 B13R1.686 CCCCC(C)NC1CCCC1=O 2230a_100000126638_100000211823 [0,1,0,1,0,0|2,0,0]=4 20317 B13R1.686 CCCCC(C)NC1CCNC1=O 2230a_100016995588_200011215066 [0,1,0,1,0,0|2,0,0]=4 20318 B13R1.686 CCCCC(C)NC1CCNC1=O 270004a_100016995588_100000210087 [0,1,0,1,0,0|2,0,0]=4 20319 B13R1.686 CCCCC(C)NC1CCNC1=O 34a_100016995588_200011215066 [0,1,0,1,0,0|2,0,0]=4 20320 B13R1.686 CCCCC(C)NC1CCOC1=O 2230a_100000126638_100000211211 [0,1,0,1,0,0|1,0,0]=3 20321 B13R1.686 CCCCC(C)OC1CCCC1=O 34a_100000687866_100000709159 [0,1,0,1,0,0|2,0,0]=4 20322 B13R1.686 CCCCC(C)OC1CCCC1=O 34a_200000719330_200011215066 [0,1,0,1,0,0|2,0,0]=4 20323 B13R1.686 CCCCC(C)OC1CCCC1=O 7a_100000687866_100000211823 [0,1,0,1,0,0|2,0,0]=4 20324 B13R1.686 CCCCC(C)OC1CCOC1=O 34a_100000687866_100000211211 [0,1,0,1,0,0|1,0,0]=3 20325 B13R1.686 CCCCC(C)OC1CCOC1=O 7a_100000687866_100000211211 [0,1,0,1,0,0|1,0,0]=3 20326 B13R1.686 CCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_200011215066 [0,1,0,1,0,0|2,0,0]=4 20327 B13R1.686 CCCCC(C)SC1CCCC1=O 62a_100000211823_200011215066 [0,1,0,1,0,0|2,0,0]=4 20328 B13R1.686 CCCCC(C)SC1CCCC1=O 62a_200011215066_100000211823 [0,1,0,1,0,0|2,0,0]=4 20329 B13R1.686 CCCCC(C)SC1CCOC1=O 62a_100000211211_200011215066 [0,1,0,1,0,0|1,0,0]=3 20330 B13R1.686 CCCCC(C)SC1CCOC1=O 62a_200011215066_100000211211 [0,1,0,1,0,0|1,0,0]=3 20331 B13R1.686 CCCNC(=O)CN1CCC[C@@H]1C 2230a_100020605311_100000183358 [0,1,0,1,0,0|2,0,0]=4 20332 B13R1.686 CCCNC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000183358 [0,1,0,1,0,0|2,0,0]=4 20333 B13R1.686 CCCNC(=O)CN1CCC[C@H]1C 2230a_100015189458_100000183358 [0,1,0,1,0,0|2,0,0]=4 20334 B13R1.686 CCCNC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000183358 [0,1,0,1,0,0|2,0,0]=4 20335 B13R1.686 CCCNC(=O)CN1CCC[C@H]1C 34a_100015189458_100000183358 [0,1,0,1,0,0|2,0,0]=4 20336 B13R1.686 CCCOC(=O)CN1CCC[C@@H]1C 2230a_100020605311_200011215008 [0,1,0,1,0,0|1,0,0]=3 20337 B13R1.686 CCCOC(=O)CN1CCC[C@@H]1C 269982a_100020605311_200011215008 [0,1,0,1,0,0|1,0,0]=3 20338 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 2230a_100015189458_200011215008 [0,1,0,1,0,0|1,0,0]=3 20339 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 269982a_100015189458_200011215008 [0,1,0,1,0,0|1,0,0]=3 20340 B13R1.686 CCCOC(=O)CN1CCC[C@H]1C 34a_100015189458_200011215008 [0,1,0,1,0,0|1,0,0]=3 20341 B13R1.686 CCCOC(=O)CN1CCSC1C 2230a_200011216479_200011215008 [0,1,0,1,0,0|2,0,0]=4 20342 B13R1.686 CCCOC(=O)CN1CCSC1C 269982a_200011216479_200011215008 [0,1,0,1,0,0|2,0,0]=4 20343 B13R1.686 CCCOC(=O)CN1CCSC1C 34a_200011216479_200011215008 [0,1,0,1,0,0|2,0,0]=4 20344 B13R1.686 CCOCC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100000211967 [0,1,0,1,0,0|2,0,0]=4 20345 B13R1.686 CCOCC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100000211967 [0,1,0,1,0,0|2,0,0]=4 20346 B13R1.686 CCOCC(C)OC1CCOC1=O 34a_100000718985_100000211211 [0,1,0,1,0,0|2,0,0]=4 20347 B13R1.686 CCOCC(C)OC1CCOC1=O 7a_100000718985_100000211211 [0,1,0,1,0,0|2,0,0]=4 20348 B13R1.1309 CCCCC(C)NCC(=O)C1CC1 2230a_100000126638_100000746382 [0,1,0,1,0,0|2,0,0]=4 20349 B13R1.1309 CCCCC(C)OCC(=O)C1CC1 34a_100000686663_200011215066 [0,1,0,1,0,0|2,0,0]=4 20350 B13R1.1309 CCCCC(C)OCC(=O)C1CC1 34a_100000687866_100000746382 [0,1,0,1,0,0|2,0,0]=4 20351 B13R1.1309 CCCCC(C)OCC(=O)C1CC1 7a_100000687866_100000746382 [0,1,0,1,0,0|2,0,0]=4 20352 B13R1.1309 CCCCC(C)SCC(=O)C1CC1 62a_100000746382_200011215066 [0,1,0,1,0,0|2,0,0]=4 20353 B13R1.1309 CCCCC(C)SCC(=O)C1CC1 62a_200011215066_100000746382 [0,1,0,1,0,0|2,0,0]=4 20354 B13R1.1462 CCCC(=O)N1CCCCC(C1)O 240690a_100025706797_100000211992 [0,1,0,1,0,0|2,0,0]=4 20355 B13R1.1462 CCNC(=O)N1CCCCC(C1)O 2708a_100015525214_100025706797 [0,1,0,1,0,0|2,0,0]=4 20356 B13R1.1462 CCNC(=O)N1CCCCC(C1)O 273464a_100015525214_100025706797 [0,1,0,1,0,0|2,0,0]=4 20357 B13R1.1483 CCCC(=O)COC1(CCCC1)C 7a_100000751722_100000747444 [0,1,0,1,0,0|2,0,0]=4 20358 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 11a_100000737848_100000211992 [0,1,0,1,0,0|2,0,0]=4 20359 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 1626a_100000737848_100000211992 [0,1,0,1,0,0|2,0,0]=4 20360 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 240690a_100000737848_100000211992 [0,1,0,1,0,0|2,0,0]=4 20361 B13R1.1483 CCCC(=O)NCC1(CCCC1)O 527a_100000737848_100000211992 [0,1,0,1,0,0|2,0,0]=4 20362 B13R1.1483 CCNC(=O)COC1(CCCC1)C 34a_100000751722_100000183381 [0,1,0,1,0,0|2,0,0]=4 20363 B13R1.1483 CCNC(=O)COC1(CCCC1)C 7a_100000751722_100000183381 [0,1,0,1,0,0|2,0,0]=4 20364 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 2708a_100000737848_100015525214 [0,1,0,1,0,0|2,0,0]=4 20365 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 2708a_100015525214_100000737848 [0,1,0,1,0,0|2,0,0]=4 20366 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 273464a_100015525214_100000737848 [0,1,0,1,0,0|2,0,0]=4 20367 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 512a_100000737848_100015525214 [0,1,0,1,0,0|2,0,0]=4 20368 B13R1.1483 CCNC(=O)NCC1(CCCC1)O 512a_100015525214_100000737848 [0,1,0,1,0,0|2,0,0]=4 20369 B13R1.1483 CCOC(=O)CNC1(CCOC1)C 2230a_100000693475_100000188475 [0,1,0,1,0,0|2,0,0]=4 20370 B13R1.1483 CCOC(=O)COC1(CCCC1)C 34a_100000751722_100000188475 [0,1,0,1,0,0|1,0,0]=3 20371 B13R1.1483 CCOC(=O)COC1(CCCC1)C 7a_100000751722_100000188475 [0,1,0,1,0,0|1,0,0]=3 20372 B13R1.1486 CCNC(=O)CCN1CC(C1)CC 2230a_100015205115_100000737597 [0,1,0,1,0,0|2,0,0]=4 20373 B13R1.1486 CCNC(=O)CCN1CC(C1)CC 269982a_100015205115_100000737597 [0,1,0,1,0,0|2,0,0]=4 20374 B13R1.1486 CCOC(=O)CCN1CC(C1)CC 2230a_100015205115_100011206558 [0,1,0,1,0,0|1,0,0]=3 20375 B13R1.1486 CCOC(=O)CCN1CC(C1)CC 269982a_100015205115_100011206558 [0,1,0,1,0,0|1,0,0]=3 20376 B13R1.1486 CCOC(=O)CCN1CC(C1)CF 269982a_100010363649_100011206558 [0,1,0,1,0,0|2,0,0]=4 20377 B13R1.1486 CCOC(=O)CCN1CC(C1)CF 34a_100010363649_100000765890 [0,1,0,1,0,0|2,0,0]=4 20378 B13R1.1486 CCOC(=O)CCN1CC(C1)CO 269982a_100016987283_100011206558 [0,1,0,1,0,0|2,0,0]=4 20379 B13R1.1486 CCOC(=O)CCN1CC(C1)CO 34a_100016987283_100000765890 [0,1,0,1,0,0|2,0,0]=4 20380 B13R1.1486 CCOC(=O)CCN1CC(C1)OC 269982a_100000755009_100011206558 [0,1,0,1,0,0|2,0,0]=4 20381 B13R1.1486 CCOC(=O)CCN1CC(C1)SC 269982a_100016990038_100011206558 [0,1,0,1,0,0|2,0,0]=4 20382 B13R1.1486 CCOC(=O)CNC1CN(C1)CC 2230a_200015199589_100000188475 [0,1,0,1,0,0|2,0,0]=4 20383 B13R1.1486 CCOC(=O)CN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100000188475 [0,1,0,1,0,0|2,0,0]=4 20384 B13R1.1486 CCOC(=O)CSC1CC(C1)CO 62a_100000188475_100009874164 [0,1,0,1,0,0|2,0,0]=4 20385 B13R1.1486 CCOC(=O)CSC1CC(C1)CO 62a_100009874164_100000188475 [0,1,0,1,0,0|2,0,0]=4 20386 B13R1.2565 CCCC(=O)CN1C(CCC1C)C 2230a_100000687148_100000747444 [0,1,0,1,0,0|2,0,0]=4 20387 B13R1.2565 CCCC(=O)CN1C(CCC1C)C 269982a_100000687148_100000747444 [0,1,0,1,0,0|2,0,0]=4 20388 B13R1.2565 CCNC(=O)CN1C(CCC1C)C 2230a_100000687148_100000183381 [0,1,0,1,0,0|2,0,0]=4 20389 B13R1.2565 CCNC(=O)CN1C(CCC1C)C 269982a_100000687148_100000183381 [0,1,0,1,0,0|2,0,0]=4 20390 B13R1.2565 CCNC(=O)CN1C(CCC1C)C 34a_100000687148_100000183381 [0,1,0,1,0,0|2,0,0]=4 20391 B13R1.2565 CCOC(=O)CN1C(CCC1C)C 2230a_100000687148_100000188475 [0,1,0,1,0,0|1,0,0]=3 20392 B13R1.2565 CCOC(=O)CN1C(CCC1C)C 269982a_100000687148_100000188475 [0,1,0,1,0,0|1,0,0]=3 20393 B13R1.2565 CCOC(=O)CN1C(CCC1C)C 34a_100000687148_100000188475 [0,1,0,1,0,0|1,0,0]=3 20394 B13R1.3130 CCCC(=O)CNC(C)C1CCC1 2230a_100016994624_100000747444 [0,1,0,1,0,0|2,0,0]=4 20395 B13R1.3130 CCCC(=O)COC(C)C1CCC1 7a_100000766398_100000747444 [0,1,0,1,0,0|2,0,0]=4 20396 B13R1.3130 CCNC(=O)CCC(=O)C1CCC1 1458a_100000199579_100000749161 [0,1,0,1,0,0|1,0,1]=4 20397 B13R1.3130 CCNC(=O)CCN(C)C1CCC1 2230a_100000758072_100000737597 [0,1,0,1,0,0|2,0,0]=4 20398 B13R1.3130 CCNC(=O)CCN(C)C1CCC1 269982a_100000758072_100000737597 [0,1,0,1,0,0|2,0,0]=4 20399 B13R1.3130 CCNC(=O)CNC(C)C1CCC1 2230a_100016994624_100000183381 [0,1,0,1,0,0|2,0,0]=4 20400 B13R1.3130 CCNC(=O)CNC(C)C1CCC1 34a_100016994624_100000183381 [0,1,0,1,0,0|2,0,0]=4 20401 B13R1.3130 CCNC(=O)COC(C)C1CCC1 34a_100000766398_100000183381 [0,1,0,1,0,0|2,0,0]=4 20402 B13R1.3130 CCNC(=O)COC(C)C1CCC1 7a_100000766398_100000183381 [0,1,0,1,0,0|2,0,0]=4 20403 B13R1.3130 CCOC(=O)CCC(=O)C1CCC1 1458a_100000183558_100000749161 [0,1,0,1,0,0|0,0,1]=3 20404 B13R1.3130 CCOC(=O)CCC(=O)C1COC1 1458a_100000183558_100000687716 [0,1,0,1,0,0|1,0,1]=4 20405 B13R1.3130 CCOC(=O)CCC(=O)N1CCC1 11a_100000754969_100000183558 [0,1,0,1,0,0|1,0,1]=4 20406 B13R1.3130 CCOC(=O)CCC(=O)N1CCC1 240690a_100000754969_100000183558 [0,1,0,1,0,0|1,0,1]=4 20407 B13R1.3130 CCOC(=O)CCC(C)N1CCC1 269982a_100000754969_100000748298 [0,1,0,1,0,0|1,0,0]=3 20408 B13R1.3130 CCOC(=O)CCN(C)C1CCC1 2230a_100000758072_100011206558 [0,1,0,1,0,0|1,0,0]=3 20409 B13R1.3130 CCOC(=O)CCN(C)C1CCC1 269982a_100000745921_100000749161 [0,1,0,1,0,0|1,0,0]=3 20410 B13R1.3130 CCOC(=O)CCN(C)C1CCC1 269982a_100000758072_100011206558 [0,1,0,1,0,0|1,0,0]=3 20411 B13R1.3130 CCOC(=O)CCN(C)C1CCC1 34a_100000758072_100000765890 [0,1,0,1,0,0|1,0,0]=3 20412 B13R1.3130 CCOC(=O)CCN(C)C1COC1 2230a_100102693430_100011206558 [0,1,0,1,0,0|2,0,0]=4 20413 B13R1.3130 CCOC(=O)CCN(C)C1COC1 269982a_100000745921_100000687716 [0,1,0,1,0,0|2,0,0]=4 20414 B13R1.3130 CCOC(=O)CCN(C)C1COC1 269982a_100102693430_100011206558 [0,1,0,1,0,0|2,0,0]=4 20415 B13R1.3130 CCOC(=O)CNC(=O)C1CCC1 188690a_100000741813_100000209988 [0,1,0,1,0,0|1,0,1]=4 20416 B13R1.3130 CCOC(=O)CNC(C)C1CCC1 2230a_100016994624_100000188475 [0,1,0,1,0,0|1,0,0]=3 20417 B13R1.3130 CCOC(=O)CNC(C)C1CCC1 34a_100016994624_100000188475 [0,1,0,1,0,0|1,0,0]=3 20418 B13R1.3130 CCOC(=O)COC(C)C1CCC1 34a_100000766398_100000188475 [0,1,0,1,0,0|1,0,0]=3 20419 B13R1.3130 CCOC(=O)COC(C)C1CCC1 7a_100000766398_100000188475 [0,1,0,1,0,0|1,0,0]=3 20420 B13R1.3130 CCOC(=O)NCC(=O)C1CCC1 1458a_100000190774_100000749161 [0,1,0,1,0,0|1,0,1]=4 20421 B13R1.3132 CCNC(=O)CCC(=O)CC1CC1 1458a_100000199579_100000742324 [0,1,0,1,0,0|1,0,1]=4 20422 B13R1.3132 CCNC(=O)CCN(C)CC1CC1 2230a_100000741881_100000737597 [0,1,0,1,0,0|2,0,0]=4 20423 B13R1.3132 CCNC(=O)CCN(C)CC1CC1 269982a_100000741881_100000737597 [0,1,0,1,0,0|2,0,0]=4 20424 B13R1.3132 CCNC(=O)CNC(C)CC1CC1 270004a_100016988866_200000686933 [0,1,0,1,0,0|2,0,0]=4 20425 B13R1.3132 CCOC(=O)CCC(=O)CC1CC1 1458a_100000183558_100000742324 [0,1,0,1,0,0|0,0,1]=3 20426 B13R1.3132 CCOC(=O)CCC(=O)CC1CO1 1458a_100000183558_100011216344 [0,1,0,1,0,0|1,0,1]=4 20427 B13R1.3132 CCOC(=O)CCC(=O)CC1CS1 1458a_100000183558_100000031435 [0,1,0,1,0,0|1,0,1]=4 20428 B13R1.3132 CCOC(=O)CCC(=O)C[C@@H]1CO1 1458a_100000183558_100000745022 [0,1,0,1,0,0|1,0,1]=4 20429 B13R1.3132 CCOC(=O)CCC(=O)NC1CC1 1626a_100000212008_100000183558 [0,1,0,1,0,0|1,0,1]=4 20430 B13R1.3132 CCOC(=O)CCC(=O)NC1CC1 240690a_100000212008_100000183558 [0,1,0,1,0,0|1,0,1]=4 20431 B13R1.3132 CCOC(=O)CCC(C)NC1CC1 34a_100000212008_100000748298 [0,1,0,1,0,0|1,0,0]=3 20432 B13R1.3132 CCOC(=O)CCC(C)SC1CC1 62a_100000748298_100000211595 [0,1,0,1,0,0|1,0,0]=3 20433 B13R1.3132 CCOC(=O)CCN(C)CC1CC1 2230a_100000741881_100011206558 [0,1,0,1,0,0|1,0,0]=3 20434 B13R1.3132 CCOC(=O)CCN(C)CC1CC1 2230a_100000745921_100000742324 [0,1,0,1,0,0|1,0,0]=3 20435 B13R1.3132 CCOC(=O)CCN(C)CC1CC1 269982a_100000741881_100011206558 [0,1,0,1,0,0|1,0,0]=3 20436 B13R1.3132 CCOC(=O)CCN(C)CC1CC1 269982a_100000745921_100000756562 [0,1,0,1,0,0|1,0,0]=3 20437 B13R1.3132 CCOC(=O)CCN(C)CC1CO1 2230a_100000745921_100011216344 [0,1,0,1,0,0|2,0,0]=4 20438 B13R1.3132 CCOC(=O)CCN(C)CC1CO1 269982a_100000745921_102125554688 [0,1,0,1,0,0|2,0,0]=4 20439 B13R1.3132 CCOC(=O)CCN(C)CC1CS1 269982a_100000745921_100000031435 [0,1,0,1,0,0|2,0,0]=4 20440 B13R1.3132 CCOC(=O)CCN(C)C[C@@H]1CO1 269982a_100000745921_100000745022 [0,1,0,1,0,0|2,0,0]=4 20441 B13R1.3132 CCOC(=O)CNC(=O)CC1CC1 188690a_100000741813_100000738066 [0,1,0,1,0,0|1,0,1]=4 20442 B13R1.3132 CCOC(=O)NCC(=O)CC1CC1 1458a_100000190774_100000742324 [0,1,0,1,0,0|1,0,1]=4 20443 B13R1.5541 CCOC(=O)CNC(=O)C1CC1C 188690a_100000741813_100000211227 [0,1,0,1,0,0|1,0,1]=4 20444 B13R1.16 CCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210326 [0,1,0,1,0,0|2,0,0]=4 20445 B13R1.16 CCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210215 [0,1,0,1,0,0|2,0,0]=4 20446 B13R1.16 CCCCCN1CCNC(=O)C1C 34a_100000750721_100000718602 [0,1,0,1,0,0|2,0,0]=4 20447 B13R1.47 CC(C(=O)CCF)C1CCCCC1 1458a_100011435303_100011217306 [0,1,0,1,0,0|2,0,0]=4 20448 B13R1.47 CC(C(=O)CCO)C1CCCCC1 1458a_100011435303_100000211926 [0,1,0,1,0,0|2,0,0]=4 20449 B13R1.47 CCCC(=O)C(C)C1CCCCC1 1458a_100011435303_100000210303 [0,1,0,1,0,0|1,0,0]=3 20450 B13R1.47 CCCC(=O)C(O)C1CCCCC1 1458a_100000242593_100000210303 [0,1,0,1,0,0|1,0,0]=3 20451 B13R1.47 CCCC(=O)N(C)C1CCCCC1 11a_100000207522_100000211992 [0,1,0,1,0,0|2,0,0]=4 20452 B13R1.47 CCCC(=O)N(C)C1CCCCC1 1626a_100000207522_100000211992 [0,1,0,1,0,0|2,0,0]=4 20453 B13R1.47 CCCC(=O)N(C)C1CCCCC1 240690a_100000207522_100000211992 [0,1,0,1,0,0|2,0,0]=4 20454 B13R1.47 CCCC(=O)N(C)C1CCCCC1 527a_100000207522_100000211992 [0,1,0,1,0,0|2,0,0]=4 20455 B13R1.47 CCNC(=O)C(=O)C1CCCCC1 1458a_200011297158_100000210327 [0,1,0,1,0,0|1,0,1]=4 20456 B13R1.47 CCNC(=O)C(C)C1CCCCC1 11a_100015525214_100011435303 [0,1,0,1,0,0|1,0,0]=3 20457 B13R1.47 CCNC(=O)C(C)C1CCCCC1 240690a_100015525214_100011435303 [0,1,0,1,0,0|1,0,0]=3 20458 B13R1.47 CCNC(=O)C(C)C1CCCCC1 527a_100015525214_100011435303 [0,1,0,1,0,0|1,0,0]=3 20459 B13R1.47 CCNC(=O)C(O)C1CCCCC1 240690a_100015525214_100000242593 [0,1,0,1,0,0|1,0,0]=3 20460 B13R1.47 CCNC(=O)N(C)C1CCCCC1 2708a_100015525214_100000207522 [0,1,0,1,0,0|2,0,0]=4 20461 B13R1.47 CCNC(=O)N(C)C1CCCCC1 273464a_100015525214_100000207522 [0,1,0,1,0,0|2,0,0]=4 20462 B13R1.47 CCOC(=O)C(C)N1CCCOC1 2230a_100000131196_100011215307 [0,1,0,1,0,0|2,0,0]=4 20463 B13R1.47 CCOC(=O)C(C)N1CCCOC1 269982a_100000131196_100011216346 [0,1,0,1,0,0|2,0,0]=4 20464 B13R1.47 CCOC(=O)C(C)N1CCCOC1 34a_100000131196_100011216346 [0,1,0,1,0,0|2,0,0]=4 20465 B13R1.47 CCOC(=O)C(C)N1CCOCC1 2230a_100015191051_100011215307 [0,1,0,1,0,0|2,0,0]=4 20466 B13R1.47 CCOC(=O)C(C)N1CCOCC1 269982a_100015191051_100011216346 [0,1,0,1,0,0|2,0,0]=4 20467 B13R1.47 CCOC(=O)C(C)N1CCOCC1 34a_100015191051_100011216346 [0,1,0,1,0,0|2,0,0]=4 20468 B13R1.47 CCOC(=O)C(C)N1CCSCC1 2230a_100000737611_100011215307 [0,1,0,1,0,0|2,0,0]=4 20469 B13R1.47 CCOC(=O)C(C)N1CCSCC1 269982a_100000737611_100011216346 [0,1,0,1,0,0|2,0,0]=4 20470 B13R1.47 CCOC(=O)C(F)N1CCCOC1 2230a_100000131196_100000760018 [0,1,0,1,0,0|2,0,0]=4 20471 B13R1.47 CCOC(=O)C(F)N1CCCOC1 269982a_100000131196_100000760018 [0,1,0,1,0,0|2,0,0]=4 20472 B13R1.47 CCOC(=O)C(F)N1CCCOC1 34a_100000131196_100000760018 [0,1,0,1,0,0|2,0,0]=4 20473 B13R1.47 CCOC(=O)C(F)N1CCOCC1 2230a_100015191051_100000760018 [0,1,0,1,0,0|2,0,0]=4 20474 B13R1.47 CCOC(=O)C(F)N1CCOCC1 269982a_100015191051_100000760018 [0,1,0,1,0,0|2,0,0]=4 20475 B13R1.47 CCOC(=O)C(F)N1CCOCC1 34a_100015191051_100000760018 [0,1,0,1,0,0|2,0,0]=4 20476 B13R1.47 CCOC(=O)C(F)N1CCSCC1 2230a_100000737611_100000760018 [0,1,0,1,0,0|2,0,0]=4 20477 B13R1.47 CCOC(=O)C(F)N1CCSCC1 269982a_100000737611_100000760018 [0,1,0,1,0,0|2,0,0]=4 20478 B13R1.47 CNNC(=O)C(C)C1CCCCC1 22a_100016993582_100011435303 [0,1,0,1,0,0|2,0,0]=4 20479 B13R1.47 CNNC(=O)C(O)C1CCCCC1 22a_100016993582_100000242593 [0,1,0,1,0,0|2,0,0]=4 20480 B13R1.47 O=C(CCF)C(O)C1CCCCC1 1458a_100000242593_100011217306 [0,1,0,1,0,0|2,0,0]=4 20481 B13R1.47 O=C(CCO)C(O)C1CCCCC1 1458a_100000242593_100000211926 [0,1,0,1,0,0|2,0,0]=4 20482 B13R1.66 C=C(CN1CCCC1)C(=O)OCC 269982a_100000188435_100000755967 [0,1,0,1,0,0|1,0,1]=4 20483 B13R1.66 CCNC(=O)C(=O)CC1CCCC1 1458a_200011297158_100000740388 [0,1,0,1,0,0|1,0,1]=4 20484 B13R1.66 CCNC(=O)C(C)NC1CCCC1 2230a_100000211070_100000230173 [0,1,0,1,0,0|2,0,0]=4 20485 B13R1.66 CCNC(=O)C(C)NC1CCCC1 2230a_100000736553_100000179811 [0,1,0,1,0,0|2,0,0]=4 20486 B13R1.66 CCNC(=O)C(C)NC1CCCC1 270004a_100000736553_100000210133 [0,1,0,1,0,0|2,0,0]=4 20487 B13R1.66 CCNC(=O)C(C)NC1CCCC1 34a_100000211070_100000230173 [0,1,0,1,0,0|2,0,0]=4 20488 B13R1.66 CCNC(=O)C(C)NC1CCCC1 34a_100000736553_100000179811 [0,1,0,1,0,0|2,0,0]=4 20489 B13R1.66 CCNC(=O)C(C)OC1CCCC1 34a_100000210269_100000230173 [0,1,0,1,0,0|2,0,0]=4 20490 B13R1.66 CCNC(=O)C(C)OC1CCCC1 7a_100000210269_100000230173 [0,1,0,1,0,0|2,0,0]=4 20491 B13R1.66 CCNC(=O)C(C)SC1CCCC1 62a_100000230173_100000179811 [0,1,0,1,0,0|2,0,0]=4 20492 B13R1.66 CCNC(=O)C(C)SC1CCCC1 62a_100011217020_100000230173 [0,1,0,1,0,0|2,0,0]=4 20493 B13R1.66 CCOC(=O)C(=O)CN1CCCC1 269982a_100000188435_100000211299 [0,1,0,1,0,0|1,0,1]=4 20494 B13R1.66 CCOC(=O)C(=O)NC1CCCC1 11a_100000211070_100014798877 [0,1,0,1,0,0|1,0,1]=4 20495 B13R1.66 CCOC(=O)C(=O)NC1CCCC1 1626a_100000211070_100014798877 [0,1,0,1,0,0|1,0,1]=4 20496 B13R1.66 CCOC(=O)C(=O)NC1CCCC1 240690a_100000211070_100014798877 [0,1,0,1,0,0|1,0,1]=4 20497 B13R1.66 CCOC(=O)C(C)NC1CCCC1 2230a_100000211070_100011215307 [0,1,0,1,0,0|1,0,0]=3 20498 B13R1.66 CCOC(=O)C(C)NC1CCCC1 34a_100000211070_100011216346 [0,1,0,1,0,0|1,0,0]=3 20499 B13R1.66 CCOC(=O)C(C)N[C@@H]1CCOC1 2230a_200015188469_100011215307 [0,1,0,1,0,0|2,0,0]=4 20500 B13R1.66 CCOC(=O)C(C)N[C@H]1CCOC1 2230a_100015188467_100011215307 [0,1,0,1,0,0|2,0,0]=4 20501 B13R1.66 CCOC(=O)C(C)N[C@H]1CCOC1 34a_100015188467_100011216346 [0,1,0,1,0,0|2,0,0]=4 20502 B13R1.66 CCOC(=O)C(C)OC1CCCC1 34a_100000210269_100011216346 [0,1,0,1,0,0|1,0,0]=3 20503 B13R1.66 CCOC(=O)C(C)OC1CCCC1 7a_100000210269_100011216346 [0,1,0,1,0,0|1,0,0]=3 20504 B13R1.66 CCOC(=O)C(C)OC1CCCO1 34a_100000085407_100011216346 [0,1,0,1,0,0|2,0,0]=4 20505 B13R1.66 CCOC(=O)C(C)OC1CCSC1 7a_100011232664_100011216346 [0,1,0,1,0,0|2,0,0]=4 20506 B13R1.66 CCOC(=O)C(C)O[C@H]1CCOC1 34a_100000717292_100011216346 [0,1,0,1,0,0|2,0,0]=4 20507 B13R1.66 CCOC(=O)C(C)SC1CCCC1 62a_100011216346_100000179811 [0,1,0,1,0,0|1,0,0]=3 20508 B13R1.66 CCOC(=O)C(C)SC1CCCC1 62a_100011217020_100011216346 [0,1,0,1,0,0|1,0,0]=3 20509 B13R1.66 CCOC(=O)C(C)SC1CCOC1 62a_100011216346_100000690089 [0,1,0,1,0,0|2,0,0]=4 20510 B13R1.66 CCOC(=O)C(F)NC1CCCC1 2230a_100000211070_100000760018 [0,1,0,1,0,0|1,0,0]=3 20511 B13R1.66 CCOC(=O)C(F)NC1CCCC1 34a_100000211070_100000760018 [0,1,0,1,0,0|1,0,0]=3 20512 B13R1.66 CCOC(=O)C(F)N[C@@H]1CCOC1 2230a_200015188469_100000760018 [0,1,0,1,0,0|2,0,0]=4 20513 B13R1.66 CCOC(=O)C(F)N[C@H]1CCOC1 2230a_100015188467_100000760018 [0,1,0,1,0,0|2,0,0]=4 20514 B13R1.66 CCOC(=O)C(F)N[C@H]1CCOC1 34a_100015188467_100000760018 [0,1,0,1,0,0|2,0,0]=4 20515 B13R1.66 CCOC(=O)C(F)OC1CCCC1 34a_100000210269_100000760018 [0,1,0,1,0,0|1,0,0]=3 20516 B13R1.66 CCOC(=O)C(F)OC1CCCC1 7a_100000210269_100000040065 [0,1,0,1,0,0|1,0,0]=3 20517 B13R1.66 CCOC(=O)C(F)OC1CCCO1 34a_100000085407_100000760018 [0,1,0,1,0,0|2,0,0]=4 20518 B13R1.66 CCOC(=O)C(F)OC1CCSC1 7a_100011232664_100000040065 [0,1,0,1,0,0|2,0,0]=4 20519 B13R1.66 CCOC(=O)C(F)O[C@H]1CCOC1 34a_100000717292_100000760018 [0,1,0,1,0,0|2,0,0]=4 20520 B13R1.66 CCOC(=O)C(F)SC1CCCC1 62a_100000760018_100000179811 [0,1,0,1,0,0|1,0,0]=3 20521 B13R1.66 CCOC(=O)C(F)SC1CCCC1 62a_100011217020_100000760018 [0,1,0,1,0,0|1,0,0]=3 20522 B13R1.66 CCOC(=O)C(F)SC1CCOC1 62a_100000760018_100000690089 [0,1,0,1,0,0|2,0,0]=4 20523 B13R1.66 CCOC(=O)[C@H](C)OC1CCCC1 7a_100000751109_100000179811 [0,1,0,1,0,0|1,0,0]=3 20524 B13R1.66 CCOC(=O)[C@H](C)OC1CCOC1 7a_100000751109_100000731011 [0,1,0,1,0,0|2,0,0]=4 20525 B13R1.66 CCSC(=O)[C@H](C)NC1CCCC1 2230a_100103168634_100000179811 [0,1,0,1,0,0|1,1,0]=4 20526 B13R1.361 CCCN1CCC(C1)C(=O)OCC 2230a_100016987290_100000210303 [0,1,0,1,0,0|1,0,0]=3 20527 B13R1.361 CCCN1CCC(C1)C(=O)OCC 269982a_100016987290_100000210303 [0,1,0,1,0,0|1,0,0]=3 20528 B13R1.361 CCNC1CCC(C1)C(=O)OCC 270004a_100015525214_100000077466 [0,1,0,1,0,0|1,0,0]=3 20529 B13R1.361 CCOC(=O)C1CCN(C1)CCF 2230a_100016987290_100011217306 [0,1,0,1,0,0|2,0,0]=4 20530 B13R1.361 CCOC(=O)C1CCN(C1)CCF 269982a_100016987290_100011217306 [0,1,0,1,0,0|2,0,0]=4 20531 B13R1.361 CCOC(=O)C1CCN(C1)CCO 2230a_100016987290_100000211926 [0,1,0,1,0,0|2,0,0]=4 20532 B13R1.361 CCOC(=O)C1CCN(C1)CCO 269982a_100016987290_100000211926 [0,1,0,1,0,0|2,0,0]=4 20533 B13R1.361 CCOC(=O)C1CCN(C1)COC 2230a_100016987290_100000766300 [0,1,0,1,0,0|2,0,0]=4 20534 B13R1.361 CCOC(=O)C1CCN(C1)COC 269982a_100016987290_100000766300 [0,1,0,1,0,0|2,0,0]=4 20535 B13R1.361 CCOC(=O)C1CCN(C1)CSC 2230a_100016987290_100011218213 [0,1,0,1,0,0|2,0,0]=4 20536 B13R1.361 CCOC(=O)C1CCN(C1)CSC 269982a_100016987290_100011218213 [0,1,0,1,0,0|2,0,0]=4 20537 B13R1.460 CCCC(=O)C1CCCC(C1)OC 1458a_100011215561_100000210303 [0,1,0,1,0,0|2,0,0]=4 20538 B13R1.460 CCCC(=O)C1CCCN(C1)CC 1458a_100000743261_100000210303 [0,1,0,1,0,0|2,0,0]=4 20539 B13R1.460 CCNC(=O)C1CCCC(C1)OC 11a_100015525214_100011215561 [0,1,0,1,0,0|2,0,0]=4 20540 B13R1.460 CCNC(=O)C1CCCC(C1)OC 240690a_100015525214_100011215561 [0,1,0,1,0,0|2,0,0]=4 20541 B13R1.460 CCNC(=O)C1CCCC(C1)OC 527a_100015525214_100011215561 [0,1,0,1,0,0|2,0,0]=4 20542 B13R1.460 CCNC(=O)C1CCCN(C1)CC 11a_100015525214_100000743261 [0,1,0,1,0,0|2,0,0]=4 20543 B13R1.460 CCNC(=O)C1CCCN(C1)CC 240690a_100015525214_100000743261 [0,1,0,1,0,0|2,0,0]=4 20544 B13R1.460 CCNC(=O)C1CCCN(C1)CC 527a_100015525214_100000743261 [0,1,0,1,0,0|2,0,0]=4 20545 B13R1.460 CCOC(=O)C1CC(CCO1)NC 270004a_106832991635_100010274582 [0,1,0,1,0,0|2,0,0]=4 20546 B13R1.460 CCOC(=O)C1CCCC(C1)OC 7a_100011934014_200000210301 [0,1,0,1,0,0|1,0,0]=3 20547 B13R1.460 CCOC(=O)C1CCCC(C1)O[13CH3] 7a_100011934014_200025704644 [0,1,0,1,0,0|1,0,0]=3 20548 B13R1.460 CCOC(=O)C1CN(CCO1)CC 2230a_100016995033_100000210202 [0,1,0,1,0,0|2,0,0]=4 20549 B13R1.460 CCOC(=O)C1CN(CCO1)CC 269982a_100016995033_100000204670 [0,1,0,1,0,0|2,0,0]=4 20550 B13R1.460 CCOC(=O)[C@H]1CCCN(C1)CC 2230a_100000759086_100000210202 [0,1,0,1,0,0|1,0,0]=3 20551 B13R1.460 CCOC(=O)[C@H]1CCCN(C1)CC 269982a_100000759086_100000204670 [0,1,0,1,0,0|1,0,0]=3 20552 B13R1.460 CCOC(=O)[C@H]1CCCN(C1)CF 269982a_100000759086_100015361967 [0,1,0,1,0,0|2,0,0]=4 20553 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000209983_100000687798 [0,1,0,1,0,0|2,0,0]=4 20554 B13R1.555 CCCCCNC1CCCNC1=O 2230a_100000747585_100000210326 [0,1,0,1,0,0|2,0,0]=4 20555 B13R1.555 CCCCCNC1CCCNC1=O 34a_100000747585_100000718602 [0,1,0,1,0,0|2,0,0]=4 20556 B13R1.555 CCCCCOC1CCCCC1=O 34a_100000210253_100000754470 [0,1,0,1,0,0|2,0,0]=4 20557 B13R1.555 CCCCCOC1CCCCC1=O 34a_100011214950_100000718602 [0,1,0,1,0,0|2,0,0]=4 20558 B13R1.555 CCCCCOC1CCCCC1=O 7a_100000210253_100000204591 [0,1,0,1,0,0|2,0,0]=4 20559 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000073722_100000718602 [0,1,0,1,0,0|2,0,0]=4 20560 B13R1.555 CCCCCOC1CCCNC1=O 34a_100000210253_100000687798 [0,1,0,1,0,0|2,0,0]=4 20561 B13R1.555 CCCCCOC1CCCNC1=O 7a_100000210253_100000687798 [0,1,0,1,0,0|2,0,0]=4 20562 B13R1.555 CCCCCOC1COCCC1=O 34a_100000210253_100012180262 [0,1,0,1,0,0|2,0,0]=4 20563 B13R1.555 CCCCCOC1COCCC1=O 7a_100000210253_100012180262 [0,1,0,1,0,0|2,0,0]=4 20564 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000204591_100000210326 [0,1,0,1,0,0|2,0,0]=4 20565 B13R1.555 CCCCCSC1CCCCC1=O 62a_100000210326_100000204591 [0,1,0,1,0,0|2,0,0]=4 20566 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000210326_100000687798 [0,1,0,1,0,0|2,0,0]=4 20567 B13R1.555 CCCCCSC1CCCNC1=O 62a_100000687798_100000210326 [0,1,0,1,0,0|2,0,0]=4 20568 B13R1.555 CCCCCSC1COCCC1=O 62a_100000210326_100012180262 [0,1,0,1,0,0|2,0,0]=4 20569 B13R1.555 CCCCCSC1COCCC1=O 62a_100012180262_100000210326 [0,1,0,1,0,0|2,0,0]=4 20570 B13R1.555 CCCCOCC1CCCCC1=O 34a_100009861125_100000210210 [0,1,0,1,0,0|2,0,0]=4 20571 B13R1.555 CCCCOCC1CCCCC1=O 7a_100009861125_100000210211 [0,1,0,1,0,0|2,0,0]=4 20572 B13R1.555 CCCOCCC1NCCNC1=O 34a_100000044719_100000210303 [0,1,0,1,0,0|2,0,0]=4 20573 B13R1.1313 CCCCCCC(C)C(=O)C1CC1 1458a_100000210395_100011215978 [0,1,0,1,0,0|1,0,0]=3 20574 B13R1.1313 CCCCCCC(C)C(=O)C1CO1 1458a_100000701028_100011215978 [0,1,0,1,0,0|2,0,0]=4 20575 B13R1.1313 CCCCCCN(C)C(=O)C1CC1 11a_106256046315_100000210395 [0,1,0,1,0,0|2,0,0]=4 20576 B13R1.1313 CCCCCCN(C)C(=O)C1CC1 1626a_106256046315_100000210395 [0,1,0,1,0,0|2,0,0]=4 20577 B13R1.1313 CCCCCCN(C)C(=O)C1CC1 240690a_106256046315_100000210395 [0,1,0,1,0,0|2,0,0]=4 20578 B13R1.1313 CCCCCCN(C)C(=O)C1CC1 527a_106256046315_100000210395 [0,1,0,1,0,0|2,0,0]=4 20579 B13R1.2909 CCNC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100000230173 [0,1,0,1,0,0|2,0,0]=4 20580 B13R1.2909 CCNC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100000230173 [0,1,0,1,0,0|2,0,0]=4 20581 B13R1.2909 CCNC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100000230173 [0,1,0,1,0,0|2,0,0]=4 20582 B13R1.2909 CCNC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100000230173 [0,1,0,1,0,0|2,0,0]=4 20583 B13R1.2909 CCNC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100000230173 [0,1,0,1,0,0|2,0,0]=4 20584 B13R1.2909 CCOC(=O)C(=O)N1CCC[C@@H]1C 240690a_100020605311_100014798877 [0,1,0,1,0,0|1,0,1]=4 20585 B13R1.2909 CCOC(=O)C(=O)N1CCC[C@H]1C 11a_100015189458_100014798877 [0,1,0,1,0,0|1,0,1]=4 20586 B13R1.2909 CCOC(=O)C(=O)N1CCC[C@H]1C 240690a_100015189458_100014798877 [0,1,0,1,0,0|1,0,1]=4 20587 B13R1.2909 CCOC(=O)C(C)N1CCC[C@@H]1C 2230a_100020605311_100011215307 [0,1,0,1,0,0|1,0,0]=3 20588 B13R1.2909 CCOC(=O)C(C)N1CCC[C@@H]1C 269982a_100020605311_100011216346 [0,1,0,1,0,0|1,0,0]=3 20589 B13R1.2909 CCOC(=O)C(C)N1CCC[C@H]1C 2230a_100015189458_100011215307 [0,1,0,1,0,0|1,0,0]=3 20590 B13R1.2909 CCOC(=O)C(C)N1CCC[C@H]1C 269982a_100015189458_100011216346 [0,1,0,1,0,0|1,0,0]=3 20591 B13R1.2909 CCOC(=O)C(C)N1CCC[C@H]1C 34a_100015189458_100011216346 [0,1,0,1,0,0|1,0,0]=3 20592 B13R1.2909 CCOC(=O)C(C)N1CCSC1C 2230a_200011216479_100011215307 [0,1,0,1,0,0|2,0,0]=4 20593 B13R1.2909 CCOC(=O)C(C)N1CCSC1C 269982a_200011216479_100011216346 [0,1,0,1,0,0|2,0,0]=4 20594 B13R1.2909 CCOC(=O)C(C)N1CCSC1C 34a_200011216479_100011216346 [0,1,0,1,0,0|2,0,0]=4 20595 B13R1.2909 CCOC(=O)C(F)N1CCC[C@@H]1C 2230a_100020605311_100000760018 [0,1,0,1,0,0|1,0,0]=3 20596 B13R1.2909 CCOC(=O)C(F)N1CCC[C@@H]1C 269982a_100020605311_100000760018 [0,1,0,1,0,0|1,0,0]=3 20597 B13R1.2909 CCOC(=O)C(F)N1CCC[C@H]1C 2230a_100015189458_100000760018 [0,1,0,1,0,0|1,0,0]=3 20598 B13R1.2909 CCOC(=O)C(F)N1CCC[C@H]1C 269982a_100015189458_100000760018 [0,1,0,1,0,0|1,0,0]=3 20599 B13R1.2909 CCOC(=O)C(F)N1CCC[C@H]1C 34a_100015189458_100000760018 [0,1,0,1,0,0|1,0,0]=3 20600 B13R1.2909 CCOC(=O)C(F)N1CCSC1C 2230a_200011216479_100000760018 [0,1,0,1,0,0|2,0,0]=4 20601 B13R1.2909 CCOC(=O)C(F)N1CCSC1C 269982a_200011216479_100000760018 [0,1,0,1,0,0|2,0,0]=4 20602 B13R1.2909 CCOC(=O)C(F)N1CCSC1C 34a_200011216479_100000760018 [0,1,0,1,0,0|2,0,0]=4 20603 B13R1.2965 CCNC(=O)C(C)OCC1CC1C 34a_100000744939_100000230173 [0,1,0,1,0,0|2,0,0]=4 20604 B13R1.2965 CCNC(=O)C(C)OCC1CC1C 7a_100000744939_100000230173 [0,1,0,1,0,0|2,0,0]=4 20605 B13R1.2965 CCOC(=O)C(C)OCC1CC1C 34a_100000744939_100011216346 [0,1,0,1,0,0|1,0,0]=3 20606 B13R1.2965 CCOC(=O)C(C)OCC1CC1C 7a_100000744939_100011216346 [0,1,0,1,0,0|1,0,0]=3 20607 B13R1.2965 CCOC(=O)C(F)OCC1CC1C 34a_100000744939_100000760018 [0,1,0,1,0,0|1,0,0]=3 20608 B13R1.2965 CCOC(=O)C(F)OCC1CC1C 7a_100000744939_100000040065 [0,1,0,1,0,0|1,0,0]=3 20609 B13R1.2966 C=C(CNC1CCC1)C(=O)OCC 34a_100000749019_100000755967 [0,1,0,1,0,0|1,0,1]=4 20610 B13R1.2966 C=C(COC1CCC1)C(=O)OCC 34a_100000748187_100000755967 [0,1,0,1,0,0|1,0,1]=4 20611 B13R1.2966 C=C(CSC1CCC1)C(=O)OCC 62a_100000755967_100000749161 [0,1,0,1,0,0|1,0,1]=4 20612 B13R1.2966 CCNC(=O)C(C)NCC1CCC1 2230a_100000736553_100000763275 [0,1,0,1,0,0|2,0,0]=4 20613 B13R1.2966 CCNC(=O)C(C)NCC1CCC1 2230a_100000738700_100000230173 [0,1,0,1,0,0|2,0,0]=4 20614 B13R1.2966 CCNC(=O)C(C)NCC1CCC1 34a_100000736553_100000763275 [0,1,0,1,0,0|2,0,0]=4 20615 B13R1.2966 CCNC(=O)C(C)NCC1CCC1 34a_100000738700_100000230173 [0,1,0,1,0,0|2,0,0]=4 20616 B13R1.2966 CCNC(=O)C(C)OCC1CCC1 34a_100000760304_100000230173 [0,1,0,1,0,0|2,0,0]=4 20617 B13R1.2966 CCNC(=O)C(C)SCC1CCC1 62a_100000230173_100000763275 [0,1,0,1,0,0|2,0,0]=4 20618 B13R1.2966 CCNC(=O)C(C)SCC1CCC1 62a_100000763275_100000230173 [0,1,0,1,0,0|2,0,0]=4 20619 B13R1.2966 CCOC(=O)C(=O)CSC1CCC1 62a_100000211299_100000749161 [0,1,0,1,0,0|1,0,1]=4 20620 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 11a_100000738700_100014798877 [0,1,0,1,0,0|1,0,1]=4 20621 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 1626a_100000738700_100014798877 [0,1,0,1,0,0|1,0,1]=4 20622 B13R1.2966 CCOC(=O)C(=O)NCC1CCC1 240690a_100000738700_100014798877 [0,1,0,1,0,0|1,0,1]=4 20623 B13R1.2966 CCOC(=O)C(C)NCC1CCC1 2230a_100000738700_100011215307 [0,1,0,1,0,0|1,0,0]=3 20624 B13R1.2966 CCOC(=O)C(C)NCC1CCC1 34a_100000738700_100011216346 [0,1,0,1,0,0|1,0,0]=3 20625 B13R1.2966 CCOC(=O)C(C)NCC1COC1 2230a_100015281925_100011215307 [0,1,0,1,0,0|2,0,0]=4 20626 B13R1.2966 CCOC(=O)C(C)NCC1COC1 34a_100015281925_100011216346 [0,1,0,1,0,0|2,0,0]=4 20627 B13R1.2966 CCOC(=O)C(C)NC[C@@H]1CCO1 2230a_100020831831_100011215307 [0,1,0,1,0,0|2,0,0]=4 20628 B13R1.2966 CCOC(=O)C(C)NC[C@@H]1CCO1 34a_100020831831_100011216346 [0,1,0,1,0,0|2,0,0]=4 20629 B13R1.2966 CCOC(=O)C(C)OCC1CCC1 34a_100000760304_100011216346 [0,1,0,1,0,0|1,0,0]=3 20630 B13R1.2966 CCOC(=O)C(C)OCC1CCO1 34a_100000039022_100011216346 [0,1,0,1,0,0|2,0,0]=4 20631 B13R1.2966 CCOC(=O)C(C)OCC1CNC1 34a_100016987283_100011216346 [0,1,0,1,0,0|2,0,0]=4 20632 B13R1.2966 CCOC(=O)C(C)OCC1COC1 34a_100000060846_100011216346 [0,1,0,1,0,0|2,0,0]=4 20633 B13R1.2966 CCOC(=O)C(C)SCC1CCC1 62a_100000763275_100011216346 [0,1,0,1,0,0|1,0,0]=3 20634 B13R1.2966 CCOC(=O)C(C)SCC1CCC1 62a_100011216346_100000763275 [0,1,0,1,0,0|1,0,0]=3 20635 B13R1.2966 CCOC(=O)C(C)SCC1CCO1 62a_100000103362_100011216346 [0,1,0,1,0,0|2,0,0]=4 20636 B13R1.2966 CCOC(=O)C(C)SCC1CCO1 62a_100011216346_100000103362 [0,1,0,1,0,0|2,0,0]=4 20637 B13R1.2966 CCOC(=O)C(C)SCC1COC1 62a_100010264016_100011216346 [0,1,0,1,0,0|2,0,0]=4 20638 B13R1.2966 CCOC(=O)C(C)SCC1COC1 62a_100011216346_100010264016 [0,1,0,1,0,0|2,0,0]=4 20639 B13R1.2966 CCOC(=O)C(F)NCC1CCC1 2230a_100000738700_100000760018 [0,1,0,1,0,0|1,0,0]=3 20640 B13R1.2966 CCOC(=O)C(F)NCC1CCC1 34a_100000738700_100000760018 [0,1,0,1,0,0|1,0,0]=3 20641 B13R1.2966 CCOC(=O)C(F)NCC1COC1 2230a_100015281925_100000760018 [0,1,0,1,0,0|2,0,0]=4 20642 B13R1.2966 CCOC(=O)C(F)NCC1COC1 34a_100015281925_100000760018 [0,1,0,1,0,0|2,0,0]=4 20643 B13R1.2966 CCOC(=O)C(F)NC[C@@H]1CCO1 2230a_100020831831_100000760018 [0,1,0,1,0,0|2,0,0]=4 20644 B13R1.2966 CCOC(=O)C(F)NC[C@@H]1CCO1 34a_100020831831_100000760018 [0,1,0,1,0,0|2,0,0]=4 20645 B13R1.2966 CCOC(=O)C(F)OCC1CCC1 34a_100000760304_100000760018 [0,1,0,1,0,0|1,0,0]=3 20646 B13R1.2966 CCOC(=O)C(F)OCC1CCO1 34a_100000039022_100000760018 [0,1,0,1,0,0|2,0,0]=4 20647 B13R1.2966 CCOC(=O)C(F)OCC1CNC1 34a_100016987283_100000760018 [0,1,0,1,0,0|2,0,0]=4 20648 B13R1.2966 CCOC(=O)C(F)OCC1COC1 34a_100000060846_100000760018 [0,1,0,1,0,0|2,0,0]=4 20649 B13R1.2966 CCOC(=O)C(F)SCC1CCC1 62a_100000760018_100000763275 [0,1,0,1,0,0|1,0,0]=3 20650 B13R1.2966 CCOC(=O)C(F)SCC1CCC1 62a_100000763275_100000760018 [0,1,0,1,0,0|1,0,0]=3 20651 B13R1.2966 CCOC(=O)C(F)SCC1CCO1 62a_100000103362_100000760018 [0,1,0,1,0,0|2,0,0]=4 20652 B13R1.2966 CCOC(=O)C(F)SCC1CCO1 62a_100000760018_100000103362 [0,1,0,1,0,0|2,0,0]=4 20653 B13R1.2966 CCOC(=O)C(F)SCC1COC1 62a_100000760018_100010264016 [0,1,0,1,0,0|2,0,0]=4 20654 B13R1.2966 CCOC(=O)C(F)SCC1COC1 62a_100010264016_100000760018 [0,1,0,1,0,0|2,0,0]=4 20655 B13R1.2966 CCOC(=O)[C@H](C)OCC1CCC1 7a_100000751109_100000763275 [0,1,0,1,0,0|1,0,0]=3 20656 B13R1.2966 CCOC(=O)[C@H](C)OCC1CCO1 7a_100000751109_100000103362 [0,1,0,1,0,0|2,0,0]=4 20657 B13R1.2966 CCOC(=O)[C@H](C)OCC1COC1 7a_100000751109_100010264016 [0,1,0,1,0,0|2,0,0]=4 20658 B13R1.2966 CCSC(=O)[C@H](C)NCC1CCC1 2230a_100103168634_100000763275 [0,1,0,1,0,0|1,1,0]=4 20659 B13R1.2967 C=C(CNCC1CC1)C(=O)OCC 34a_100000735609_100000755967 [0,1,0,1,0,0|1,0,1]=4 20660 B13R1.2967 C=C(COCC1CC1)C(=O)OCC 34a_100000211283_100000755967 [0,1,0,1,0,0|1,0,1]=4 20661 B13R1.2967 C=C(CSCC1CC1)C(=O)OCC 62a_100000755967_100000742324 [0,1,0,1,0,0|1,0,1]=4 20662 B13R1.2967 C=C(CSCC1CC1)C(=O)OCC 62a_100000756562_100000755967 [0,1,0,1,0,0|1,0,1]=4 20663 B13R1.2967 CCNC(=O)C(C)NCCC1CC1 2230a_100000736553_100000694398 [0,1,0,1,0,0|2,0,0]=4 20664 B13R1.2967 CCNC(=O)C(C)NCCC1CC1 34a_100000736553_100000694398 [0,1,0,1,0,0|2,0,0]=4 20665 B13R1.2967 CCNC(=O)C(C)NCCC1CC1 34a_100000764129_100000230173 [0,1,0,1,0,0|2,0,0]=4 20666 B13R1.2967 CCNC(=O)C(C)OCCC1CC1 34a_100000754188_100000230173 [0,1,0,1,0,0|2,0,0]=4 20667 B13R1.2967 CCNC(=O)C(C)OCCC1CC1 7a_100000754188_100000230173 [0,1,0,1,0,0|2,0,0]=4 20668 B13R1.2967 CCNC(=O)C(C)SCCC1CC1 62a_100000230173_100000764125 [0,1,0,1,0,0|2,0,0]=4 20669 B13R1.2967 CCNC(=O)C(C)SCCC1CC1 62a_100000764125_100000230173 [0,1,0,1,0,0|2,0,0]=4 20670 B13R1.2967 CCOC(=O)C(=O)CSCC1CC1 62a_100000211299_100000742324 [0,1,0,1,0,0|1,0,1]=4 20671 B13R1.2967 CCOC(=O)C(=O)CSCC1CC1 62a_100000756562_100000211299 [0,1,0,1,0,0|1,0,1]=4 20672 B13R1.2967 CCOC(=O)C(=O)NCCC1CC1 1626a_100000764129_100014798877 [0,1,0,1,0,0|1,0,1]=4 20673 B13R1.2967 CCOC(=O)C(=O)NCCC1CC1 240690a_100000764129_100014798877 [0,1,0,1,0,0|1,0,1]=4 20674 B13R1.2967 CCOC(=O)C(C)NCCC1CC1 34a_100000764129_100011216346 [0,1,0,1,0,0|1,0,0]=3 20675 B13R1.2967 CCOC(=O)C(C)OCCC1CC1 34a_100000754188_100011216346 [0,1,0,1,0,0|1,0,0]=3 20676 B13R1.2967 CCOC(=O)C(C)OCCC1CC1 7a_100000754188_100011216346 [0,1,0,1,0,0|1,0,0]=3 20677 B13R1.2967 CCOC(=O)C(C)OCC[C@@H]1CO1 34a_100009820653_100011216346 [0,1,0,1,0,0|2,0,0]=4 20678 B13R1.2967 CCOC(=O)C(C)SCCC1CC1 62a_100000764125_100011216346 [0,1,0,1,0,0|1,0,0]=3 20679 B13R1.2967 CCOC(=O)C(C)SCCC1CC1 62a_100011216346_100000764125 [0,1,0,1,0,0|1,0,0]=3 20680 B13R1.2967 CCOC(=O)C(C)SCCC1CO1 62a_100000732470_100011216346 [0,1,0,1,0,0|2,0,0]=4 20681 B13R1.2967 CCOC(=O)C(C)SCCC1CO1 62a_100011216346_100000732470 [0,1,0,1,0,0|2,0,0]=4 20682 B13R1.2967 CCOC(=O)C(F)NCCC1CC1 34a_100000764129_100000760018 [0,1,0,1,0,0|1,0,0]=3 20683 B13R1.2967 CCOC(=O)C(F)OCCC1CC1 34a_100000754188_100000760018 [0,1,0,1,0,0|1,0,0]=3 20684 B13R1.2967 CCOC(=O)C(F)OCCC1CC1 7a_100000754188_100000040065 [0,1,0,1,0,0|1,0,0]=3 20685 B13R1.2967 CCOC(=O)C(F)OCC[C@@H]1CO1 34a_100009820653_100000760018 [0,1,0,1,0,0|2,0,0]=4 20686 B13R1.2967 CCOC(=O)C(F)SCCC1CC1 62a_100000760018_100000764125 [0,1,0,1,0,0|1,0,0]=3 20687 B13R1.2967 CCOC(=O)C(F)SCCC1CC1 62a_100000764125_100000760018 [0,1,0,1,0,0|1,0,0]=3 20688 B13R1.2967 CCOC(=O)C(F)SCCC1CO1 62a_100000732470_100000760018 [0,1,0,1,0,0|2,0,0]=4 20689 B13R1.2967 CCOC(=O)C(F)SCCC1CO1 62a_100000760018_100000732470 [0,1,0,1,0,0|2,0,0]=4 20690 B13R1.2967 CCOC(=O)[C@H](C)OCCC1CC1 7a_100000751109_100000764125 [0,1,0,1,0,0|1,0,0]=3 20691 B13R1.2967 CCOC(=O)[C@H](C)OCCC1CO1 7a_100000751109_100000732470 [0,1,0,1,0,0|2,0,0]=4 20692 B13R1.2967 CCSC(=O)[C@H](C)NCCC1CC1 2230a_100103168634_100000694398 [0,1,0,1,0,0|1,1,0]=4 20693 B13R1.2968 C=C(CN1CCC1C)C(=O)OCC 269982a_100000755817_100000755967 [0,1,0,1,0,0|1,0,1]=4 20694 B13R1.2968 C=C(CN1CCC1C)C(=O)OCC 34a_100000755817_100000755967 [0,1,0,1,0,0|1,0,1]=4 20695 B13R1.2968 CCOC(=O)C(=O)CN1CCC1C 269982a_100000755817_100000211299 [0,1,0,1,0,0|1,0,1]=4 20696 B13R1.28 CCCCCCCN1CCCOC1 2230a_100000131196_100000210681 [0,1,0,1,0,0|2,0,0]=4 20697 B13R1.28 CCCCCCCN1CCCOC1 269982a_100000131196_100000210681 [0,1,0,1,0,0|2,0,0]=4 20698 B13R1.28 CCCCCCCN1CCCOC1 34a_100000131196_100000210614 [0,1,0,1,0,0|2,0,0]=4 20699 B13R1.44 C#CCCC(=O)CC1CCCCC1 1458a_100000211666_100000753159 [0,1,0,1,0,0|1,0,1]=4 20700 B13R1.44 C#CCCC(=O)CC1CCCCC1 1458a_100000692101_100000211423 [0,1,0,1,0,0|1,0,1]=4 20701 B13R1.44 C#CCNC(=O)CC1CCCCC1 11a_100000212058_100000211666 [0,1,0,1,0,0|1,0,1]=4 20702 B13R1.44 C#CCNC(=O)CC1CCCCC1 1626a_100000212058_100000211666 [0,1,0,1,0,0|1,0,1]=4 20703 B13R1.44 C#CCNC(=O)CC1CCCCC1 240690a_100000212058_100000211666 [0,1,0,1,0,0|1,0,1]=4 20704 B13R1.44 C#CCNC(=O)CC1CCCCC1 527a_100000212058_100000211666 [0,1,0,1,0,0|1,0,1]=4 20705 B13R1.44 C/C=C/CC(=O)CC1CCCCC1 1458a_100000211666_100102629194 [0,1,0,1,0,0|1,0,1]=4 20706 B13R1.44 C=CCCC(=O)CC1CCCCC1 1458a_100000211666_100000754431 [0,1,0,1,0,0|1,0,1]=4 20707 B13R1.44 C=CCCC(=O)CC1CCCCC1 1458a_100000749702_100000211423 [0,1,0,1,0,0|1,0,1]=4 20708 B13R1.44 C=CCNC(=O)CC1CCCCC1 1626a_100020586998_100000211666 [0,1,0,1,0,0|1,0,1]=4 20709 B13R1.44 C=CCNC(=O)CC1CCCCC1 240690a_100020586998_100000211666 [0,1,0,1,0,0|1,0,1]=4 20710 B13R1.44 C=CCNC(=O)CC1CCCCC1 527a_100020586998_100000211666 [0,1,0,1,0,0|1,0,1]=4 20711 B13R1.44 CC#CCC(=O)CC1CCCCC1 1458a_100000211666_100000748600 [0,1,0,1,0,0|1,0,1]=4 20712 B13R1.44 CC=CCC(=O)CC1CCCCC1 1458a_100000211666_100000070051 [0,1,0,1,0,0|1,0,1]=4 20713 B13R1.44 CC=CCC(=O)CC1CCCCC1 1458a_100121576822_100000211423 [0,1,0,1,0,0|1,0,1]=4 20714 B13R1.44 CC=NNC(=O)CC1CCCCC1 4a_100000189929_200000210099 [0,1,0,1,0,0|1,0,1]=4 20715 B13R1.44 CCC#CC(=O)CC1CCCCC1 1458a_100011827653_100000211423 [0,1,0,1,0,0|1,0,0]=3 20716 B13R1.44 CCC#CC(=O)CC1CCCCO1 1458a_100011827653_100000211543 [0,1,0,1,0,0|2,0,0]=4 20717 B13R1.44 CCC#CC(=O)CC1CCCOC1 1458a_100011827653_100000741521 [0,1,0,1,0,0|2,0,0]=4 20718 B13R1.44 CCC#CC(=O)CC1CCOCC1 1458a_100011827653_100000754603 [0,1,0,1,0,0|2,0,0]=4 20719 B13R1.44 CCC=CC(=O)CC1CCCCC1 1458a_100000212282_100000211423 [0,1,0,1,0,0|1,0,0]=3 20720 B13R1.44 CCC=CC(=O)CC1CCCCO1 1458a_100000212282_100000211543 [0,1,0,1,0,0|2,0,0]=4 20721 B13R1.44 CCC=CC(=O)CC1CCCOC1 1458a_100000212282_100000741521 [0,1,0,1,0,0|2,0,0]=4 20722 B13R1.44 CCC=CC(=O)CC1CCOCC1 1458a_100000212282_100000754603 [0,1,0,1,0,0|2,0,0]=4 20723 B13R1.44 CCC=CC(=O)NC1CCCCC1 11a_100000182618_100000212282 [0,1,0,1,0,0|2,0,0]=4 20724 B13R1.44 CCC=CC(=O)NC1CCCCC1 1626a_100000182618_100000212282 [0,1,0,1,0,0|2,0,0]=4 20725 B13R1.44 CCC=CC(=O)NC1CCCCC1 240690a_100000182618_100000212282 [0,1,0,1,0,0|2,0,0]=4 20726 B13R1.44 CCCCC(=O)CC1CCCCC1 1458a_100000210183_100000211423 [0,1,0,1,0,0|1,0,0]=3 20727 B13R1.44 CCCCC(=O)CC1CCCCC1 1458a_100000211666_100000210211 [0,1,0,1,0,0|1,0,0]=3 20728 B13R1.44 CCCCC(=O)CC1CCCCO1 1458a_100000210183_100000211543 [0,1,0,1,0,0|2,0,0]=4 20729 B13R1.44 CCCCC(=O)CC1CCCCO1 1458a_100000238585_100000210211 [0,1,0,1,0,0|2,0,0]=4 20730 B13R1.44 CCCCC(=O)CC1CCCOC1 1458a_100000210183_100000741521 [0,1,0,1,0,0|2,0,0]=4 20731 B13R1.44 CCCCC(=O)CC1CCCOC1 1458a_100000741523_100000210211 [0,1,0,1,0,0|2,0,0]=4 20732 B13R1.44 CCCCC(=O)CC1CCOCC1 1458a_100000210183_100000754603 [0,1,0,1,0,0|2,0,0]=4 20733 B13R1.44 CCCCC(=O)CC1CCOCC1 1458a_100000757261_100000210211 [0,1,0,1,0,0|2,0,0]=4 20734 B13R1.44 CCCCC(=O)CN1CCCCC1 1458a_100000740322_100000210211 [0,1,0,1,0,0|2,0,0]=4 20735 B13R1.44 CCCCC(=O)NC1CCCCC1 11a_100000182618_100000210183 [0,1,0,1,0,0|2,0,0]=4 20736 B13R1.44 CCCCC(=O)NC1CCCCC1 1626a_100000182618_100000210183 [0,1,0,1,0,0|2,0,0]=4 20737 B13R1.44 CCCCC(=O)NC1CCCCC1 240690a_100000182618_100000210183 [0,1,0,1,0,0|2,0,0]=4 20738 B13R1.44 CCCCC(=O)NC1CCCCC1 527a_100000182618_100000210183 [0,1,0,1,0,0|2,0,0]=4 20739 B13R1.44 CCCNC(=O)CC1CCCCC1 11a_100020643023_100000211666 [0,1,0,1,0,0|1,0,0]=3 20740 B13R1.44 CCCNC(=O)CC1CCCCC1 1626a_100020643023_100000211666 [0,1,0,1,0,0|1,0,0]=3 20741 B13R1.44 CCCNC(=O)CC1CCCCC1 240690a_100020643023_100000211666 [0,1,0,1,0,0|1,0,0]=3 20742 B13R1.44 CCCNC(=O)CC1CCCCC1 527a_100020643023_100000211666 [0,1,0,1,0,0|1,0,0]=3 20743 B13R1.44 CCCNC(=O)CC1CCCCO1 11a_100020643023_100000238585 [0,1,0,1,0,0|2,0,0]=4 20744 B13R1.44 CCCNC(=O)CC1CCCCO1 1626a_100020643023_100000238585 [0,1,0,1,0,0|2,0,0]=4 20745 B13R1.44 CCCNC(=O)CC1CCCCO1 240690a_100020643023_100000238585 [0,1,0,1,0,0|2,0,0]=4 20746 B13R1.44 CCCNC(=O)CC1CCCCO1 527a_100020643023_100000238585 [0,1,0,1,0,0|2,0,0]=4 20747 B13R1.44 CCCNC(=O)CC1CCCOC1 11a_100020643023_100000741523 [0,1,0,1,0,0|2,0,0]=4 20748 B13R1.44 CCCNC(=O)CC1CCCOC1 1626a_100020643023_100000741523 [0,1,0,1,0,0|2,0,0]=4 20749 B13R1.44 CCCNC(=O)CC1CCCOC1 240690a_100020643023_100000741523 [0,1,0,1,0,0|2,0,0]=4 20750 B13R1.44 CCCNC(=O)CC1CCCOC1 527a_100020643023_100000741523 [0,1,0,1,0,0|2,0,0]=4 20751 B13R1.44 CCCNC(=O)CC1CCOCC1 11a_100020643023_100000757261 [0,1,0,1,0,0|2,0,0]=4 20752 B13R1.44 CCCNC(=O)CC1CCOCC1 1626a_100020643023_100000757261 [0,1,0,1,0,0|2,0,0]=4 20753 B13R1.44 CCCNC(=O)CC1CCOCC1 240690a_100020643023_100000757261 [0,1,0,1,0,0|2,0,0]=4 20754 B13R1.44 CCCNC(=O)CC1CCOCC1 527a_100020643023_100000757261 [0,1,0,1,0,0|2,0,0]=4 20755 B13R1.44 CCCNC(=O)CN1CCCCC1 11a_100020643023_100000740322 [0,1,0,1,0,0|2,0,0]=4 20756 B13R1.44 CCCNC(=O)CN1CCCCC1 240690a_100020643023_100000740322 [0,1,0,1,0,0|2,0,0]=4 20757 B13R1.44 CCCNC(=O)CN1CCCCC1 527a_100020643023_100000740322 [0,1,0,1,0,0|2,0,0]=4 20758 B13R1.44 CCCNC(=O)NC1CCCCC1 2708a_100000182618_100020643023 [0,1,0,1,0,0|2,0,0]=4 20759 B13R1.44 CCCNC(=O)NC1CCCCC1 2708a_100020643023_100000182618 [0,1,0,1,0,0|2,0,0]=4 20760 B13R1.44 CCCNC(=O)NC1CCCCC1 273464a_100000182618_100020643023 [0,1,0,1,0,0|2,0,0]=4 20761 B13R1.44 CCCNC(=O)NC1CCCCC1 273464a_100020643023_100000182618 [0,1,0,1,0,0|2,0,0]=4 20762 B13R1.44 CCCOC(=O)CN1CCCOC1 2230a_100000131196_200011215008 [0,1,0,1,0,0|2,0,0]=4 20763 B13R1.44 CCCOC(=O)CN1CCCOC1 269982a_100000131196_200011215008 [0,1,0,1,0,0|2,0,0]=4 20764 B13R1.44 CCCOC(=O)CN1CCCOC1 34a_100000131196_200011215008 [0,1,0,1,0,0|2,0,0]=4 20765 B13R1.44 CCCOC(=O)CN1CCOCC1 2230a_100015191051_200011215008 [0,1,0,1,0,0|2,0,0]=4 20766 B13R1.44 CCCOC(=O)CN1CCOCC1 269982a_100015191051_200011215008 [0,1,0,1,0,0|2,0,0]=4 20767 B13R1.44 CCCOC(=O)CN1CCOCC1 34a_100015191051_200011215008 [0,1,0,1,0,0|2,0,0]=4 20768 B13R1.44 CCCOC(=O)CN1CCSCC1 2230a_100000737611_200011215008 [0,1,0,1,0,0|2,0,0]=4 20769 B13R1.44 CCCOC(=O)CN1CCSCC1 269982a_100000737611_200011215008 [0,1,0,1,0,0|2,0,0]=4 20770 B13R1.44 CCNCC(=O)NC1CCCCC1 2230a_100015207117_100000210202 [0,1,0,1,0,0|2,0,0]=4 20771 B13R1.44 CCNCC(=O)NC1CCCCC1 2230a_100015525214_100000183541 [0,1,0,1,0,0|2,0,0]=4 20772 B13R1.44 CCNCC(=O)OC1CCCCC1 2230a_100015525214_100000041653 [0,1,0,1,0,0|2,0,0]=4 20773 B13R1.44 CCNN=C(C)CC1CCCCC1 4a_100000756455_100011215996 [0,1,0,1,0,0|2,0,0]=4 20774 B13R1.44 CCNNC(=O)CC1CCCCC1 22a_100000756455_100000211666 [0,1,0,1,0,0|1,0,0]=3 20775 B13R1.44 CCNNC(=O)CC1CCCCO1 22a_100000756455_100000238585 [0,1,0,1,0,0|2,0,0]=4 20776 B13R1.44 CCNNC(=O)CC1CCCOC1 22a_100000756455_100000741523 [0,1,0,1,0,0|2,0,0]=4 20777 B13R1.44 CCNNC(=O)CC1CCOCC1 22a_100000756455_100000757261 [0,1,0,1,0,0|2,0,0]=4 20778 B13R1.44 CCNNC(=O)CN1CCCCC1 22a_100000756455_100000740322 [0,1,0,1,0,0|2,0,0]=4 20779 B13R1.44 CCNNC(=O)NC1CCCCC1 273464a_100000182618_100000756455 [0,1,0,1,0,0|2,0,0]=4 20780 B13R1.44 CCOCC(=O)CC1CCCCC1 1458a_100000211967_100000211423 [0,1,0,1,0,0|0,0,0]=2 20781 B13R1.44 CCOCC(=O)CC1CCCCO1 1458a_100000211967_100000211543 [0,1,0,1,0,0|1,0,0]=3 20782 B13R1.44 CCOCC(=O)CC1CCCOC1 1458a_100000211967_100000741521 [0,1,0,1,0,0|1,0,0]=3 20783 B13R1.44 CCOCC(=O)CC1CCOCC1 1458a_100000211967_100000754603 [0,1,0,1,0,0|1,0,0]=3 20784 B13R1.44 CCOCC(=O)NC1CCCCC1 11a_100000182618_100000211967 [0,1,0,1,0,0|1,0,0]=3 20785 B13R1.44 CCOCC(=O)NC1CCCCC1 1626a_100000182618_100000211967 [0,1,0,1,0,0|1,0,0]=3 20786 B13R1.44 CCOCC(=O)NC1CCCCC1 240690a_100000182618_100000211967 [0,1,0,1,0,0|1,0,0]=3 20787 B13R1.44 CCOCC(=O)NC1CCCCC1 34a_100121572206_100000183541 [0,1,0,1,0,0|1,0,0]=3 20788 B13R1.44 CCOCC(=O)NC1CCCCC1 527a_100000182618_100000211967 [0,1,0,1,0,0|1,0,0]=3 20789 B13R1.44 CCOCC(=O)NC1CCCOC1 11a_100000719290_100000211967 [0,1,0,1,0,0|2,0,0]=4 20790 B13R1.44 CCOCC(=O)NC1CCCOC1 1626a_100000719290_100000211967 [0,1,0,1,0,0|2,0,0]=4 20791 B13R1.44 CCOCC(=O)NC1CCCOC1 240690a_100000719290_100000211967 [0,1,0,1,0,0|2,0,0]=4 20792 B13R1.44 CCOCC(=O)NC1CCCOC1 527a_100000719290_100000211967 [0,1,0,1,0,0|2,0,0]=4 20793 B13R1.44 CCOCC(=O)NC1CCOCC1 11a_100000741149_100000211967 [0,1,0,1,0,0|2,0,0]=4 20794 B13R1.44 CCOCC(=O)NC1CCOCC1 1626a_100000741149_100000211967 [0,1,0,1,0,0|2,0,0]=4 20795 B13R1.44 CCOCC(=O)NC1CCOCC1 240690a_100000741149_100000211967 [0,1,0,1,0,0|2,0,0]=4 20796 B13R1.44 CCOCC(=O)NC1CCOCC1 527a_100000741149_100000211967 [0,1,0,1,0,0|2,0,0]=4 20797 B13R1.44 CCOCC(=O)NC1CCSCC1 11a_100000748639_100000211967 [0,1,0,1,0,0|2,0,0]=4 20798 B13R1.44 CCOCC(=O)NC1CCSCC1 1626a_100000748639_100000211967 [0,1,0,1,0,0|2,0,0]=4 20799 B13R1.44 CCOCC(=O)NC1CCSCC1 240690a_100000748639_100000211967 [0,1,0,1,0,0|2,0,0]=4 20800 B13R1.44 CCOCC(=O)NC1CCSCC1 527a_100000748639_100000211967 [0,1,0,1,0,0|2,0,0]=4 20801 B13R1.44 CCOCC(=O)OC1CCCCC1 34a_100121572206_100000041653 [0,1,0,1,0,0|1,0,0]=3 20802 B13R1.44 CCOCN(C)CC1CCCCC1 269982a_100000736448_100000739092 [0,1,0,1,0,0|2,0,0]=4 20803 B13R1.44 CCOC[C@@H](N)CC1CCCCC1 34a_100015184289_100000210202 [0,1,0,1,0,0|1,0,1]=4 20804 B13R1.44 CCSCC(=O)CC1CCCCC1 1458a_100000230394_100000211423 [0,1,0,1,0,0|0,1,0]=3 20805 B13R1.44 CCSCC(=O)CC1CCCCO1 1458a_100000230394_100000211543 [0,1,0,1,0,0|1,1,0]=4 20806 B13R1.44 CCSCC(=O)CC1CCCOC1 1458a_100000230394_100000741521 [0,1,0,1,0,0|1,1,0]=4 20807 B13R1.44 CCSCC(=O)CC1CCOCC1 1458a_100000230394_100000754603 [0,1,0,1,0,0|1,1,0]=4 20808 B13R1.44 CCSCC(=O)NC1CCCCC1 11a_100000182618_100000230394 [0,1,0,1,0,0|1,1,0]=4 20809 B13R1.44 CCSCC(=O)NC1CCCCC1 1626a_100000182618_100000230394 [0,1,0,1,0,0|1,1,0]=4 20810 B13R1.44 CCSCC(=O)NC1CCCCC1 240690a_100000182618_100000230394 [0,1,0,1,0,0|1,1,0]=4 20811 B13R1.44 CCSCC(=O)NC1CCCCC1 527a_100000182618_100000230394 [0,1,0,1,0,0|1,1,0]=4 20812 B13R1.44 CCSCC(=O)NC1CCCCC1 62a_100000183541_100000210202 [0,1,0,1,0,0|1,1,0]=4 20813 B13R1.44 CCSCC(=O)NC1CCCCC1 62a_100000210202_100000183541 [0,1,0,1,0,0|1,1,0]=4 20814 B13R1.44 CCSCC(=O)OC1CCCCC1 62a_100000041653_100000210202 [0,1,0,1,0,0|1,1,0]=4 20815 B13R1.44 CCSCC(=O)OC1CCCCC1 62a_100000210202_100000041653 [0,1,0,1,0,0|1,1,0]=4 20816 B13R1.44 CNCCC(=O)NC1CCCCC1 2230a_100000743080_200000210301 [0,1,0,1,0,0|2,0,0]=4 20817 B13R1.44 CNCCC(=O)NC1CCCCC1 2230a_106832991635_100000188762 [0,1,0,1,0,0|2,0,0]=4 20818 B13R1.44 CNCCC(=O)NC1CCCCC1 34a_100000743080_200000210301 [0,1,0,1,0,0|2,0,0]=4 20819 B13R1.44 CNCCC(=O)NC1CCCCC1 7a_106832991635_100000188762 [0,1,0,1,0,0|2,0,0]=4 20820 B13R1.44 CNCOC(=O)OC1CCOCC1 34a_100102657272_100009898885 [0,1,0,1,0,0|2,0,0]=4 20821 B13R1.44 COC=CC(=O)CC1CCCCC1 1458a_100016268678_100000211423 [0,1,0,1,0,0|1,0,1]=4 20822 B13R1.44 COCCC(=O)CC1CCCCC1 1458a_100000211666_100000233755 [0,1,0,1,0,0|1,0,0]=3 20823 B13R1.44 COCCC(=O)CC1CCCCC1 1458a_100000749529_100000211423 [0,1,0,1,0,0|1,0,0]=3 20824 B13R1.44 COCCC(=O)CC1CCCCO1 1458a_100000238585_100000233755 [0,1,0,1,0,0|2,0,0]=4 20825 B13R1.44 COCCC(=O)CC1CCCCO1 1458a_100000749529_100000211543 [0,1,0,1,0,0|2,0,0]=4 20826 B13R1.44 COCCC(=O)CC1CCCOC1 1458a_100000741523_100000233755 [0,1,0,1,0,0|2,0,0]=4 20827 B13R1.44 COCCC(=O)CC1CCCOC1 1458a_100000749529_100000741521 [0,1,0,1,0,0|2,0,0]=4 20828 B13R1.44 COCCC(=O)CC1CCOCC1 1458a_100000749529_100000754603 [0,1,0,1,0,0|2,0,0]=4 20829 B13R1.44 COCCC(=O)CC1CCOCC1 1458a_100000757261_100000233755 [0,1,0,1,0,0|2,0,0]=4 20830 B13R1.44 COCCC(=O)CN1CCCCC1 1458a_100000740322_100000233755 [0,1,0,1,0,0|2,0,0]=4 20831 B13R1.44 COCCC(=O)NC1CCCCC1 11a_100000182618_100000749529 [0,1,0,1,0,0|2,0,0]=4 20832 B13R1.44 COCCC(=O)NC1CCCCC1 1626a_100000182618_100000749529 [0,1,0,1,0,0|2,0,0]=4 20833 B13R1.44 COCCC(=O)NC1CCCCC1 240690a_100000182618_100000749529 [0,1,0,1,0,0|2,0,0]=4 20834 B13R1.44 COCCC(=O)NC1CCCCC1 527a_100000182618_100000749529 [0,1,0,1,0,0|2,0,0]=4 20835 B13R1.44 COCOC(=O)OC1CCOCC1 34a_100138415774_100009898885 [0,1,0,1,0,0|2,0,0]=4 20836 B13R1.44 CSCCC(=O)CC1CCCCC1 1458a_100000174002_100000211423 [0,1,0,1,0,0|1,0,0]=3 20837 B13R1.44 CSCCC(=O)CC1CCCCC1 1458a_100000211666_100000751147 [0,1,0,1,0,0|1,0,0]=3 20838 B13R1.44 CSCCC(=O)CC1CCCCO1 1458a_100000174002_100000211543 [0,1,0,1,0,0|2,0,0]=4 20839 B13R1.44 CSCCC(=O)CC1CCCCO1 1458a_100000238585_100000751147 [0,1,0,1,0,0|2,0,0]=4 20840 B13R1.44 CSCCC(=O)CC1CCCOC1 1458a_100000174002_100000741521 [0,1,0,1,0,0|2,0,0]=4 20841 B13R1.44 CSCCC(=O)CC1CCCOC1 1458a_100000741523_100000751147 [0,1,0,1,0,0|2,0,0]=4 20842 B13R1.44 CSCCC(=O)CC1CCOCC1 1458a_100000174002_100000754603 [0,1,0,1,0,0|2,0,0]=4 20843 B13R1.44 CSCCC(=O)CC1CCOCC1 1458a_100000757261_100000751147 [0,1,0,1,0,0|2,0,0]=4 20844 B13R1.44 CSCCC(=O)CN1CCCCC1 1458a_100000740322_100000751147 [0,1,0,1,0,0|2,0,0]=4 20845 B13R1.44 CSCCC(=O)NC1CCCCC1 11a_100000182618_100000174002 [0,1,0,1,0,0|2,0,0]=4 20846 B13R1.44 CSCCC(=O)NC1CCCCC1 1626a_100000182618_100000174002 [0,1,0,1,0,0|2,0,0]=4 20847 B13R1.44 CSCCC(=O)NC1CCCCC1 240690a_100000182618_100000174002 [0,1,0,1,0,0|2,0,0]=4 20848 B13R1.44 CSCCC(=O)NC1CCCCC1 527a_100000182618_100000174002 [0,1,0,1,0,0|2,0,0]=4 20849 B13R1.44 CSCCC(=O)NC1CCCCC1 62a_100000188762_200000210301 [0,1,0,1,0,0|2,0,0]=4 20850 B13R1.44 CSCCC(=O)NC1CCCCC1 62a_200000210301_100000188762 [0,1,0,1,0,0|2,0,0]=4 20851 B13R1.44 CSCOC(=O)OC1CCOCC1 62a_100009898885_200000210301 [0,1,0,1,0,0|2,0,0]=4 20852 B13R1.44 CSCOC(=O)OC1CCOCC1 62a_200000210301_100009898885 [0,1,0,1,0,0|2,0,0]=4 20853 B13R1.44 N#CCCC(=O)CC1CCCCC1 1458a_100000211666_100011215226 [0,1,0,1,0,0|1,0,1]=4 20854 B13R1.44 N#CCCC(=O)CC1CCCCC1 1458a_100011934036_100000211423 [0,1,0,1,0,0|1,0,1]=4 20855 B13R1.44 N#CCNC(=O)CC1CCCCC1 1626a_100000734998_100000211666 [0,1,0,1,0,0|1,0,1]=4 20856 B13R1.44 N#CCNC(=O)CC1CCCCC1 527a_100000734998_100000211666 [0,1,0,1,0,0|1,0,1]=4 20857 B13R1.44 O=C(C#CCO)CC1CCCCC1 1458a_100000049017_100000211423 [0,1,0,1,0,0|1,0,1]=4 20858 B13R1.44 O=C(CC1CCCCC1)NCCF 11a_100000724931_100000211666 [0,1,0,1,0,0|1,0,0]=3 20859 B13R1.44 O=C(CC1CCCCC1)NCCF 1626a_100000724931_100000211666 [0,1,0,1,0,0|1,0,0]=3 20860 B13R1.44 O=C(CC1CCCCC1)NCCF 240690a_100000724931_100000211666 [0,1,0,1,0,0|1,0,0]=3 20861 B13R1.44 O=C(CC1CCCCC1)NCCF 527a_100000724931_100000211666 [0,1,0,1,0,0|1,0,0]=3 20862 B13R1.44 O=C(CC1CCCCC1)NCCO 240690a_100000210304_100000211666 [0,1,0,1,0,0|1,0,0]=3 20863 B13R1.44 O=C(CC1CCCCC1)NCCO 527a_100000210304_100000211666 [0,1,0,1,0,0|1,0,0]=3 20864 B13R1.44 O=C(CC1CCCCO1)NCCF 11a_100000724931_100000238585 [0,1,0,1,0,0|2,0,0]=4 20865 B13R1.44 O=C(CC1CCCCO1)NCCF 1626a_100000724931_100000238585 [0,1,0,1,0,0|2,0,0]=4 20866 B13R1.44 O=C(CC1CCCCO1)NCCF 240690a_100000724931_100000238585 [0,1,0,1,0,0|2,0,0]=4 20867 B13R1.44 O=C(CC1CCCCO1)NCCF 527a_100000724931_100000238585 [0,1,0,1,0,0|2,0,0]=4 20868 B13R1.44 O=C(CC1CCCCO1)NCCO 240690a_100000210304_100000238585 [0,1,0,1,0,0|2,0,0]=4 20869 B13R1.44 O=C(CC1CCCCO1)NCCO 527a_100000210304_100000238585 [0,1,0,1,0,0|2,0,0]=4 20870 B13R1.44 O=C(CC1CCCOC1)NCCF 11a_100000724931_100000741523 [0,1,0,1,0,0|2,0,0]=4 20871 B13R1.44 O=C(CC1CCCOC1)NCCF 1626a_100000724931_100000741523 [0,1,0,1,0,0|2,0,0]=4 20872 B13R1.44 O=C(CC1CCCOC1)NCCF 240690a_100000724931_100000741523 [0,1,0,1,0,0|2,0,0]=4 20873 B13R1.44 O=C(CC1CCCOC1)NCCF 527a_100000724931_100000741523 [0,1,0,1,0,0|2,0,0]=4 20874 B13R1.44 O=C(CC1CCCOC1)NCCO 240690a_100000210304_100000741523 [0,1,0,1,0,0|2,0,0]=4 20875 B13R1.44 O=C(CC1CCCOC1)NCCO 527a_100000210304_100000741523 [0,1,0,1,0,0|2,0,0]=4 20876 B13R1.44 O=C(CC1CCOCC1)NCCF 11a_100000724931_100000757261 [0,1,0,1,0,0|2,0,0]=4 20877 B13R1.44 O=C(CC1CCOCC1)NCCF 1626a_100000724931_100000757261 [0,1,0,1,0,0|2,0,0]=4 20878 B13R1.44 O=C(CC1CCOCC1)NCCF 240690a_100000724931_100000757261 [0,1,0,1,0,0|2,0,0]=4 20879 B13R1.44 O=C(CC1CCOCC1)NCCF 527a_100000724931_100000757261 [0,1,0,1,0,0|2,0,0]=4 20880 B13R1.44 O=C(CC1CCOCC1)NCCO 240690a_100000210304_100000757261 [0,1,0,1,0,0|2,0,0]=4 20881 B13R1.44 O=C(CC1CCOCC1)NCCO 527a_100000210304_100000757261 [0,1,0,1,0,0|2,0,0]=4 20882 B13R1.44 O=C(CCCF)CC1CCCCC1 1458a_100000211666_100011934791 [0,1,0,1,0,0|1,0,0]=3 20883 B13R1.44 O=C(CCCF)CC1CCCCO1 1458a_100000238585_100011934791 [0,1,0,1,0,0|2,0,0]=4 20884 B13R1.44 O=C(CCCF)CC1CCCOC1 1458a_100000741523_100011934791 [0,1,0,1,0,0|2,0,0]=4 20885 B13R1.44 O=C(CCCF)CC1CCOCC1 1458a_100000757261_100011934791 [0,1,0,1,0,0|2,0,0]=4 20886 B13R1.44 O=C(CCCF)CN1CCCCC1 1458a_100000740322_100011934791 [0,1,0,1,0,0|2,0,0]=4 20887 B13R1.44 O=C(CCCO)CC1CCCCC1 1458a_100000211666_100011215043 [0,1,0,1,0,0|1,0,0]=3 20888 B13R1.44 O=C(CCCO)CC1CCCCO1 1458a_100000238585_100011215043 [0,1,0,1,0,0|2,0,0]=4 20889 B13R1.44 O=C(CCCO)CC1CCCOC1 1458a_100000741523_100011215043 [0,1,0,1,0,0|2,0,0]=4 20890 B13R1.44 O=C(CCCO)CC1CCOCC1 1458a_100000757261_100011215043 [0,1,0,1,0,0|2,0,0]=4 20891 B13R1.44 O=C(CCCO)CN1CCCCC1 1458a_100000740322_100011215043 [0,1,0,1,0,0|2,0,0]=4 20892 B13R1.44 O=C(CN1CCCCC1)NCCF 11a_100000724931_100000740322 [0,1,0,1,0,0|2,0,0]=4 20893 B13R1.44 O=C(CN1CCCCC1)NCCF 240690a_100000724931_100000740322 [0,1,0,1,0,0|2,0,0]=4 20894 B13R1.44 O=C(CN1CCCCC1)NCCF 527a_100000724931_100000740322 [0,1,0,1,0,0|2,0,0]=4 20895 B13R1.44 O=C(CN1CCCCC1)NCCO 240690a_100000210304_100000740322 [0,1,0,1,0,0|2,0,0]=4 20896 B13R1.44 O=C(CN1CCCCC1)NCCO 527a_100000210304_100000740322 [0,1,0,1,0,0|2,0,0]=4 20897 B13R1.44 O=C(NCCF)NC1CCCCC1 2708a_100000182618_100000724931 [0,1,0,1,0,0|2,0,0]=4 20898 B13R1.44 O=C(NCCF)NC1CCCCC1 273464a_100000182618_100000724931 [0,1,0,1,0,0|2,0,0]=4 20899 B13R1.44 O=C(NCCF)NC1CCCCC1 273464a_100000724931_100000182618 [0,1,0,1,0,0|2,0,0]=4 20900 B13R1.44 O=C(NCCO)NC1CCCCC1 2708a_100000182618_100000210304 [0,1,0,1,0,0|2,0,0]=4 20901 B13R1.44 O=C(NCCO)NC1CCCCC1 273464a_100000182618_100000210304 [0,1,0,1,0,0|2,0,0]=4 20902 B13R1.44 O=C(NCCO)NC1CCCCC1 273464a_100000210304_100000182618 [0,1,0,1,0,0|2,0,0]=4 20903 B13R1.44 [13CH3]NCCC(=O)NC1CCCCC1 2230a_100000743080_200025704644 [0,1,0,1,0,0|2,0,0]=4 20904 B13R1.44 [13CH3]NCCC(=O)NC1CCCCC1 34a_100000743080_200025704644 [0,1,0,1,0,0|2,0,0]=4 20905 B13R1.44 [13CH3]SCCC(=O)NC1CCCCC1 62a_100000188762_200025704644 [0,1,0,1,0,0|2,0,0]=4 20906 B13R1.44 [13CH3]SCCC(=O)NC1CCCCC1 62a_200025704644_100000188762 [0,1,0,1,0,0|2,0,0]=4 20907 B13R1.44 [13CH3]SCOC(=O)OC1CCOCC1 62a_100009898885_200025704644 [0,1,0,1,0,0|2,0,0]=4 20908 B13R1.44 [13CH3]SCOC(=O)OC1CCOCC1 62a_200025704644_100009898885 [0,1,0,1,0,0|2,0,0]=4 20909 B13R1.489 CCNN=C1CCCCCCCC1 4a_100000756455_100000038600 [0,1,0,1,0,0|2,0,0]=4 20910 B13R1.489 CCOCN1CCCCCCCC1 269982a_100000039187_100000739092 [0,1,0,1,0,0|2,0,0]=4 20911 B13R1.674 C#CCCC(=O)C1CCCCC1C 1458a_100011215568_100000753159 [0,1,0,1,0,0|1,0,1]=4 20912 B13R1.674 C#CCNC(=O)C1CCCCC1C 11a_100000212058_100011215568 [0,1,0,1,0,0|1,0,1]=4 20913 B13R1.674 C#CCNC(=O)C1CCCCC1C 1626a_100000212058_100011215568 [0,1,0,1,0,0|1,0,1]=4 20914 B13R1.674 C#CCNC(=O)C1CCCCC1C 240690a_100000212058_100011215568 [0,1,0,1,0,0|1,0,1]=4 20915 B13R1.674 C#CCNC(=O)C1CCCCC1C 527a_100000212058_100011215568 [0,1,0,1,0,0|1,0,1]=4 20916 B13R1.674 C/C=C/CC(=O)C1CCCCC1C 1458a_100011215568_100102629194 [0,1,0,1,0,0|1,0,1]=4 20917 B13R1.674 C=CCCC(=O)C1CCCCC1C 1458a_100011215568_100000754431 [0,1,0,1,0,0|1,0,1]=4 20918 B13R1.674 C=CCNC(=O)C1CCCCC1C 1626a_100020586998_100011215568 [0,1,0,1,0,0|1,0,1]=4 20919 B13R1.674 C=CCNC(=O)C1CCCCC1C 240690a_100020586998_100011215568 [0,1,0,1,0,0|1,0,1]=4 20920 B13R1.674 C=CCNC(=O)C1CCCCC1C 527a_100020586998_100011215568 [0,1,0,1,0,0|1,0,1]=4 20921 B13R1.674 CC#CCC(=O)C1CCCCC1C 1458a_100011215568_100000748600 [0,1,0,1,0,0|1,0,1]=4 20922 B13R1.674 CC1CCCCC1C(=O)CCC#N 1458a_100011215568_100011215226 [0,1,0,1,0,0|1,0,1]=4 20923 B13R1.674 CC1CCCCC1C(=O)CCCF 1458a_100011215568_100011934791 [0,1,0,1,0,0|1,0,0]=3 20924 B13R1.674 CC1CCCCC1C(=O)CCCO 1458a_100011215568_100011215043 [0,1,0,1,0,0|1,0,0]=3 20925 B13R1.674 CC1CCCCC1C(=O)NCC#N 1626a_100000734998_100011215568 [0,1,0,1,0,0|1,0,1]=4 20926 B13R1.674 CC1CCCCC1C(=O)NCC#N 527a_100000734998_100011215568 [0,1,0,1,0,0|1,0,1]=4 20927 B13R1.674 CC1CCCCC1C(=O)NCCF 11a_100000724931_100011215568 [0,1,0,1,0,0|1,0,0]=3 20928 B13R1.674 CC1CCCCC1C(=O)NCCF 1626a_100000724931_100011215568 [0,1,0,1,0,0|1,0,0]=3 20929 B13R1.674 CC1CCCCC1C(=O)NCCF 240690a_100000724931_100011215568 [0,1,0,1,0,0|1,0,0]=3 20930 B13R1.674 CC1CCCCC1C(=O)NCCF 527a_100000724931_100011215568 [0,1,0,1,0,0|1,0,0]=3 20931 B13R1.674 CC1CCCCC1C(=O)NCCO 240690a_100000210304_100011215568 [0,1,0,1,0,0|1,0,0]=3 20932 B13R1.674 CC1CCCCC1C(=O)NCCO 527a_100000210304_100011215568 [0,1,0,1,0,0|1,0,0]=3 20933 B13R1.674 CC1CCCCN1C(=O)CCN[13CH3] 34a_100025749213_200025704644 [0,1,0,1,0,0|2,0,0]=4 20934 B13R1.674 CC1CCCCN1C(=O)NCCF 273464a_100000724931_100000211376 [0,1,0,1,0,0|2,0,0]=4 20935 B13R1.674 CC1CCCCN1C(=O)NCCO 273464a_100000210304_100000211376 [0,1,0,1,0,0|2,0,0]=4 20936 B13R1.674 CC=CCC(=O)C1CCCCC1C 1458a_100011215568_100000070051 [0,1,0,1,0,0|1,0,1]=4 20937 B13R1.674 CCC=CC(=O)N1CCCCC1C 11a_100000211376_100000212282 [0,1,0,1,0,0|2,0,0]=4 20938 B13R1.674 CCC=CC(=O)N1CCCCC1C 1626a_100000211376_100000212282 [0,1,0,1,0,0|2,0,0]=4 20939 B13R1.674 CCC=CC(=O)N1CCCCC1C 240690a_100000211376_100000212282 [0,1,0,1,0,0|2,0,0]=4 20940 B13R1.674 CCCCC(=O)C1CCCCC1C 1458a_100011215568_100000210211 [0,1,0,1,0,0|1,0,0]=3 20941 B13R1.674 CCCCC(=O)C1CCCCC1O 1458a_100011803323_100000210211 [0,1,0,1,0,0|2,0,0]=4 20942 B13R1.674 CCCCC(=O)N1CCCCC1C 11a_100000211376_100000210183 [0,1,0,1,0,0|2,0,0]=4 20943 B13R1.674 CCCCC(=O)N1CCCCC1C 1626a_100000211376_100000210183 [0,1,0,1,0,0|2,0,0]=4 20944 B13R1.674 CCCCC(=O)N1CCCCC1C 240690a_100000211376_100000210183 [0,1,0,1,0,0|2,0,0]=4 20945 B13R1.674 CCCCC(=O)N1CCCCC1C 527a_100000211376_100000210183 [0,1,0,1,0,0|2,0,0]=4 20946 B13R1.674 CCCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210211 [0,1,0,1,0,0|2,0,0]=4 20947 B13R1.674 CCCNC(=O)C1CCCCC1C 11a_100020643023_100011215568 [0,1,0,1,0,0|1,0,0]=3 20948 B13R1.674 CCCNC(=O)C1CCCCC1C 1626a_100020643023_100011215568 [0,1,0,1,0,0|1,0,0]=3 20949 B13R1.674 CCCNC(=O)C1CCCCC1C 240690a_100020643023_100011215568 [0,1,0,1,0,0|1,0,0]=3 20950 B13R1.674 CCCNC(=O)C1CCCCC1C 527a_100020643023_100011215568 [0,1,0,1,0,0|1,0,0]=3 20951 B13R1.674 CCCNC(=O)N1CCCCC1C 2708a_100020643023_100000211376 [0,1,0,1,0,0|2,0,0]=4 20952 B13R1.674 CCCNC(=O)N1CCCCC1C 273464a_100020643023_100000211376 [0,1,0,1,0,0|2,0,0]=4 20953 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C 11a_100020643023_100000767060 [0,1,0,1,0,0|2,0,0]=4 20954 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C 1626a_100020643023_100000767060 [0,1,0,1,0,0|2,0,0]=4 20955 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C 240690a_100020643023_100000767060 [0,1,0,1,0,0|2,0,0]=4 20956 B13R1.674 CCCNC(=O)[C@H]1CCCCN1C 527a_100020643023_100000767060 [0,1,0,1,0,0|2,0,0]=4 20957 B13R1.674 CCNCC(=O)N1CCCCC1C 2230a_100015525214_100000182743 [0,1,0,1,0,0|2,0,0]=4 20958 B13R1.674 CCNNC(=O)C1CCCCC1C 22a_100000756455_100011215568 [0,1,0,1,0,0|1,0,0]=3 20959 B13R1.674 CCNNC(=O)C1CCCCC1O 22a_100000756455_100011803323 [0,1,0,1,0,0|2,0,0]=4 20960 B13R1.674 CCNNC(=O)[C@H]1CCCCN1C 22a_100000756455_100000767060 [0,1,0,1,0,0|2,0,0]=4 20961 B13R1.674 CCOCC(=O)C1CCCCC1=O 1458a_100000211967_100000204591 [0,1,0,1,0,0|1,0,1]=4 20962 B13R1.674 CCOCC(=O)N1CCCCC1C 11a_100000211376_100000211967 [0,1,0,1,0,0|1,0,0]=3 20963 B13R1.674 CCOCC(=O)N1CCCCC1C 1626a_100000211376_100000211967 [0,1,0,1,0,0|1,0,0]=3 20964 B13R1.674 CCOCC(=O)N1CCCCC1C 240690a_100000211376_100000211967 [0,1,0,1,0,0|1,0,0]=3 20965 B13R1.674 CCOCC(=O)N1CCCCC1C 34a_100121572206_100000182743 [0,1,0,1,0,0|1,0,0]=3 20966 B13R1.674 CCOCC(=O)N1CCCCC1C 527a_100000211376_100000211967 [0,1,0,1,0,0|1,0,0]=3 20967 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C 11a_100009815349_100000211967 [0,1,0,1,0,0|2,0,0]=4 20968 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100000211967 [0,1,0,1,0,0|2,0,0]=4 20969 B13R1.674 CCOCC(=O)N1CCOC[C@@H]1C 527a_100009815349_100000211967 [0,1,0,1,0,0|2,0,0]=4 20970 B13R1.674 CCSCC(=O)N1CCCCC1C 11a_100000211376_100000230394 [0,1,0,1,0,0|1,1,0]=4 20971 B13R1.674 CCSCC(=O)N1CCCCC1C 1626a_100000211376_100000230394 [0,1,0,1,0,0|1,1,0]=4 20972 B13R1.674 CCSCC(=O)N1CCCCC1C 240690a_100000211376_100000230394 [0,1,0,1,0,0|1,1,0]=4 20973 B13R1.674 CCSCC(=O)N1CCCCC1C 527a_100000211376_100000230394 [0,1,0,1,0,0|1,1,0]=4 20974 B13R1.674 CCSCC(=O)N1CCCCC1C 62a_100000182743_100000210202 [0,1,0,1,0,0|1,1,0]=4 20975 B13R1.674 CCSCC(=O)N1CCCCC1C 62a_100000210202_100000182743 [0,1,0,1,0,0|1,1,0]=4 20976 B13R1.674 CN1CCCC[C@@H]1C(=O)CCCF 1458a_100000767060_100011934791 [0,1,0,1,0,0|2,0,0]=4 20977 B13R1.674 CN1CCCC[C@@H]1C(=O)CCCO 1458a_100000767060_100011215043 [0,1,0,1,0,0|2,0,0]=4 20978 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF 11a_100000724931_100000767060 [0,1,0,1,0,0|2,0,0]=4 20979 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF 1626a_100000724931_100000767060 [0,1,0,1,0,0|2,0,0]=4 20980 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF 240690a_100000724931_100000767060 [0,1,0,1,0,0|2,0,0]=4 20981 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCF 527a_100000724931_100000767060 [0,1,0,1,0,0|2,0,0]=4 20982 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCO 240690a_100000210304_100000767060 [0,1,0,1,0,0|2,0,0]=4 20983 B13R1.674 CN1CCCC[C@@H]1C(=O)NCCO 527a_100000210304_100000767060 [0,1,0,1,0,0|2,0,0]=4 20984 B13R1.674 CNCCC(=O)N1CCCCC1C 34a_100025749213_200000210301 [0,1,0,1,0,0|2,0,0]=4 20985 B13R1.674 COCCC(=O)C1CCCCC1C 1458a_100011215568_100000233755 [0,1,0,1,0,0|1,0,0]=3 20986 B13R1.674 COCCC(=O)C1CCCCC1O 1458a_100011803323_100000233755 [0,1,0,1,0,0|2,0,0]=4 20987 B13R1.674 COCCC(=O)N1CCCCC1C 11a_100000211376_100000749529 [0,1,0,1,0,0|2,0,0]=4 20988 B13R1.674 COCCC(=O)N1CCCCC1C 1626a_100000211376_100000749529 [0,1,0,1,0,0|2,0,0]=4 20989 B13R1.674 COCCC(=O)N1CCCCC1C 240690a_100000211376_100000749529 [0,1,0,1,0,0|2,0,0]=4 20990 B13R1.674 COCCC(=O)N1CCCCC1C 527a_100000211376_100000749529 [0,1,0,1,0,0|2,0,0]=4 20991 B13R1.674 COCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000233755 [0,1,0,1,0,0|2,0,0]=4 20992 B13R1.674 CSCCC(=O)C1CCCCC1C 1458a_100011215568_100000751147 [0,1,0,1,0,0|1,0,0]=3 20993 B13R1.674 CSCCC(=O)C1CCCCC1O 1458a_100011803323_100000751147 [0,1,0,1,0,0|2,0,0]=4 20994 B13R1.674 CSCCC(=O)N1CCCCC1C 11a_100000211376_100000174002 [0,1,0,1,0,0|2,0,0]=4 20995 B13R1.674 CSCCC(=O)N1CCCCC1C 1626a_100000211376_100000174002 [0,1,0,1,0,0|2,0,0]=4 20996 B13R1.674 CSCCC(=O)N1CCCCC1C 240690a_100000211376_100000174002 [0,1,0,1,0,0|2,0,0]=4 20997 B13R1.674 CSCCC(=O)N1CCCCC1C 527a_100000211376_100000174002 [0,1,0,1,0,0|2,0,0]=4 20998 B13R1.674 CSCCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000751147 [0,1,0,1,0,0|2,0,0]=4 20999 B13R1.674 O=C(CCCF)C1CCCCC1O 1458a_100011803323_100011934791 [0,1,0,1,0,0|2,0,0]=4 21000 B13R1.674 O=C(CCCO)C1CCCCC1O 1458a_100011803323_100011215043 [0,1,0,1,0,0|2,0,0]=4 21001 B13R1.676 C=C(CNCCC1CC1)OCOC 34a_100000764129_100000042856 [0,1,0,1,0,0|2,0,0]=4 21002 B13R1.676 C=C(COCCC1CC1)OCOC 34a_100000754188_100000042856 [0,1,0,1,0,0|2,0,0]=4 21003 B13R1.676 C=C(CSCCC1CC1)OCOC 62a_100000042856_100000764125 [0,1,0,1,0,0|2,0,0]=4 21004 B13R1.676 C=C(CSCCC1CC1)OCOC 62a_100000764125_100000042856 [0,1,0,1,0,0|2,0,0]=4 21005 B13R1.676 C=CCOC(=O)CNCCC1CC1 34a_100000764129_100000033060 [0,1,0,1,0,0|1,0,1]=4 21006 B13R1.676 C=CCOC(=O)COCCC1CC1 34a_100000754188_100000033060 [0,1,0,1,0,0|1,0,1]=4 21007 B13R1.676 C=CCOC(=O)COCCC1CC1 7a_100000754188_100000033060 [0,1,0,1,0,0|1,0,1]=4 21008 B13R1.676 C=CCOC(=O)CSCCC1CC1 62a_100000033060_100000764125 [0,1,0,1,0,0|1,0,1]=4 21009 B13R1.676 C=CCOC(=O)CSCCC1CC1 62a_100000764125_100000033060 [0,1,0,1,0,0|1,0,1]=4 21010 B13R1.676 CCCNC(=O)CCCSC1CC1 62a_100011194427_100000211595 [0,1,0,1,0,0|2,0,0]=4 21011 B13R1.676 CCCNC(=O)CNCCC1CC1 2230a_100000174927_100000694398 [0,1,0,1,0,0|2,0,0]=4 21012 B13R1.676 CCCNC(=O)CNCCC1CC1 34a_100000764129_100000183358 [0,1,0,1,0,0|2,0,0]=4 21013 B13R1.676 CCCNC(=O)COCCC1CC1 34a_100000754188_100000183358 [0,1,0,1,0,0|2,0,0]=4 21014 B13R1.676 CCCNC(=O)COCCC1CC1 7a_100000754188_100000183358 [0,1,0,1,0,0|2,0,0]=4 21015 B13R1.676 CCCNC(=O)CSCCC1CC1 62a_100000183358_100000764125 [0,1,0,1,0,0|2,0,0]=4 21016 B13R1.676 CCCNC(=O)CSCCC1CC1 62a_100000764125_100000183358 [0,1,0,1,0,0|2,0,0]=4 21017 B13R1.676 CCCOC(=O)CNCCC1CC1 34a_100000764129_200011215008 [0,1,0,1,0,0|1,0,0]=3 21018 B13R1.676 CCCOC(=O)COCCC1CC1 34a_100000754188_200011215008 [0,1,0,1,0,0|1,0,0]=3 21019 B13R1.676 CCCOC(=O)COCCC1CC1 7a_100000754188_200011215008 [0,1,0,1,0,0|1,0,0]=3 21020 B13R1.676 CCCOC(=O)COCC[C@@H]1CO1 34a_100009820653_200011215008 [0,1,0,1,0,0|2,0,0]=4 21021 B13R1.676 CCCOC(=O)CSCCC1CC1 62a_100000764125_200011215008 [0,1,0,1,0,0|1,0,0]=3 21022 B13R1.676 CCCOC(=O)CSCCC1CC1 62a_200011215008_100000764125 [0,1,0,1,0,0|1,0,0]=3 21023 B13R1.676 CCCOC(=O)CSCCC1CO1 62a_100000732470_200011215008 [0,1,0,1,0,0|2,0,0]=4 21024 B13R1.676 CCCOC(=O)CSCCC1CO1 62a_200011215008_100000732470 [0,1,0,1,0,0|2,0,0]=4 21025 B13R1.676 CCCOC(=O)OCNCC1CC1 34a_100000735609_200000139673 [0,1,0,1,0,0|2,0,0]=4 21026 B13R1.676 CCCOC(=O)OCOCC1CC1 34a_100000211283_200000139673 [0,1,0,1,0,0|2,0,0]=4 21027 B13R1.676 CCCOC(=O)OCSCC1CC1 62a_100000756562_200000139673 [0,1,0,1,0,0|2,0,0]=4 21028 B13R1.676 O=C(CNCCC1CC1)NCCF 2230a_100000725713_100000694398 [0,1,0,1,0,0|2,0,0]=4 21029 B13R1.677 CCCOC(=O)OCN1CCC1C 269982a_100000755817_200000139673 [0,1,0,1,0,0|2,0,0]=4 21030 B13R1.677 CCCOC(=O)OCN1CCC1C 34a_100000755817_200000139673 [0,1,0,1,0,0|2,0,0]=4 21031 B13R1.677 CCOCC(=O)CCC1CCC1=O 1458a_100000211967_200016118888 [0,1,0,1,0,0|1,0,1]=4 21032 B13R1.682 CCOCC(=O)N1CCC1COC 11a_100015195929_100000211967 [0,1,0,1,0,0|2,0,0]=4 21033 B13R1.682 CCOCC(=O)N1CCC1COC 1626a_100015195929_100000211967 [0,1,0,1,0,0|2,0,0]=4 21034 B13R1.682 CCOCC(=O)N1CCC1COC 240690a_100015195929_100000211967 [0,1,0,1,0,0|2,0,0]=4 21035 B13R1.682 CCOCC(=O)N1CCC1COC 527a_100015195929_100000211967 [0,1,0,1,0,0|2,0,0]=4 21036 B13R1.683 C=C(CNCC1CCC1)OCOC 34a_100000738700_100000042856 [0,1,0,1,0,0|2,0,0]=4 21037 B13R1.683 C=C(COCC1CCC1)OCOC 34a_100000760304_100000042856 [0,1,0,1,0,0|2,0,0]=4 21038 B13R1.683 C=C(CSCC1CCC1)OCOC 62a_100000042856_100000763275 [0,1,0,1,0,0|2,0,0]=4 21039 B13R1.683 C=C(CSCC1CCC1)OCOC 62a_100000763275_100000042856 [0,1,0,1,0,0|2,0,0]=4 21040 B13R1.683 C=CCOC(=O)CNCC1CCC1 2230a_100000738700_100000033060 [0,1,0,1,0,0|1,0,1]=4 21041 B13R1.683 C=CCOC(=O)CNCC1CCC1 34a_100000738700_100000033060 [0,1,0,1,0,0|1,0,1]=4 21042 B13R1.683 C=CCOC(=O)COCC1CCC1 34a_100000760304_100000033060 [0,1,0,1,0,0|1,0,1]=4 21043 B13R1.683 C=CCOC(=O)CSCC1CCC1 62a_100000033060_100000763275 [0,1,0,1,0,0|1,0,1]=4 21044 B13R1.683 C=CCOC(=O)CSCC1CCC1 62a_100000763275_100000033060 [0,1,0,1,0,0|1,0,1]=4 21045 B13R1.683 CCCNC(=O)CCCN1CCC1 269982a_100000754969_100011194427 [0,1,0,1,0,0|2,0,0]=4 21046 B13R1.683 CCCNC(=O)CNCC1CCC1 2230a_100000174927_100000763275 [0,1,0,1,0,0|2,0,0]=4 21047 B13R1.683 CCCNC(=O)CNCC1CCC1 2230a_100000738700_100000183358 [0,1,0,1,0,0|2,0,0]=4 21048 B13R1.683 CCCNC(=O)CNCC1CCC1 269862a_100000174927_100000753134 [0,1,0,1,0,0|2,0,0]=4 21049 B13R1.683 CCCNC(=O)CNCC1CCC1 34a_100000738700_100000183358 [0,1,0,1,0,0|2,0,0]=4 21050 B13R1.683 CCCNC(=O)COCC1CCC1 34a_100000760304_100000183358 [0,1,0,1,0,0|2,0,0]=4 21051 B13R1.683 CCCNC(=O)CSCC1CCC1 62a_100000183358_100000763275 [0,1,0,1,0,0|2,0,0]=4 21052 B13R1.683 CCCNC(=O)CSCC1CCC1 62a_100000763275_100000183358 [0,1,0,1,0,0|2,0,0]=4 21053 B13R1.683 CCCOC(=O)CNCC1CCC1 2230a_100000738700_200011215008 [0,1,0,1,0,0|1,0,0]=3 21054 B13R1.683 CCCOC(=O)CNCC1CCC1 34a_100000738700_200011215008 [0,1,0,1,0,0|1,0,0]=3 21055 B13R1.683 CCCOC(=O)CNCC1COC1 2230a_100015281925_200011215008 [0,1,0,1,0,0|2,0,0]=4 21056 B13R1.683 CCCOC(=O)CNCC1COC1 34a_100015281925_200011215008 [0,1,0,1,0,0|2,0,0]=4 21057 B13R1.683 CCCOC(=O)CNC[C@@H]1CCO1 2230a_100020831831_200011215008 [0,1,0,1,0,0|2,0,0]=4 21058 B13R1.683 CCCOC(=O)CNC[C@@H]1CCO1 34a_100020831831_200011215008 [0,1,0,1,0,0|2,0,0]=4 21059 B13R1.683 CCCOC(=O)COCC1CCC1 34a_100000760304_200011215008 [0,1,0,1,0,0|1,0,0]=3 21060 B13R1.683 CCCOC(=O)COCC1CCO1 34a_100000039022_200011215008 [0,1,0,1,0,0|2,0,0]=4 21061 B13R1.683 CCCOC(=O)COCC1CNC1 34a_100016987283_200011215008 [0,1,0,1,0,0|2,0,0]=4 21062 B13R1.683 CCCOC(=O)COCC1COC1 34a_100000060846_200011215008 [0,1,0,1,0,0|2,0,0]=4 21063 B13R1.683 CCCOC(=O)CSCC1CCC1 62a_100000763275_200011215008 [0,1,0,1,0,0|1,0,0]=3 21064 B13R1.683 CCCOC(=O)CSCC1CCC1 62a_200011215008_100000763275 [0,1,0,1,0,0|1,0,0]=3 21065 B13R1.683 CCCOC(=O)CSCC1CCO1 62a_100000103362_200011215008 [0,1,0,1,0,0|2,0,0]=4 21066 B13R1.683 CCCOC(=O)CSCC1CCO1 62a_200011215008_100000103362 [0,1,0,1,0,0|2,0,0]=4 21067 B13R1.683 CCCOC(=O)CSCC1COC1 62a_100010264016_200011215008 [0,1,0,1,0,0|2,0,0]=4 21068 B13R1.683 CCCOC(=O)CSCC1COC1 62a_200011215008_100010264016 [0,1,0,1,0,0|2,0,0]=4 21069 B13R1.683 CCCOC(=O)OCNC1CCC1 34a_100000749019_200000139673 [0,1,0,1,0,0|2,0,0]=4 21070 B13R1.683 CCCOC(=O)OCOC1CCC1 34a_100000748187_200000139673 [0,1,0,1,0,0|2,0,0]=4 21071 B13R1.683 CCOCC(=O)NCCN1CCC1 240690a_100000691440_100000211967 [0,1,0,1,0,0|2,0,0]=4 21072 B13R1.683 CCOCC(=O)NNCC1CCC1 22a_200020586977_100000211967 [0,1,0,1,0,0|2,0,0]=4 21073 B13R1.683 O=C(CNCC1CCC1)NCCF 2230a_100000725713_100000763275 [0,1,0,1,0,0|2,0,0]=4 21074 B13R1.684 CCC1CCCN1C(=O)CCOC 11a_100000754278_100000749529 [0,1,0,1,0,0|2,0,0]=4 21075 B13R1.684 CCC1CCCN1C(=O)CCOC 1626a_100000754278_100000749529 [0,1,0,1,0,0|2,0,0]=4 21076 B13R1.684 CCC1CCCN1C(=O)CCOC 240690a_100000754278_100000749529 [0,1,0,1,0,0|2,0,0]=4 21077 B13R1.684 CCC1CCCN1C(=O)CCOC 527a_100000754278_100000749529 [0,1,0,1,0,0|2,0,0]=4 21078 B13R1.684 CCC1CCCN1C(=O)CCSC 11a_100000754278_100000174002 [0,1,0,1,0,0|2,0,0]=4 21079 B13R1.684 CCC1CCCN1C(=O)CCSC 1626a_100000754278_100000174002 [0,1,0,1,0,0|2,0,0]=4 21080 B13R1.684 CCC1CCCN1C(=O)CCSC 240690a_100000754278_100000174002 [0,1,0,1,0,0|2,0,0]=4 21081 B13R1.684 CCC1CCCN1C(=O)CCSC 527a_100000754278_100000174002 [0,1,0,1,0,0|2,0,0]=4 21082 B13R1.684 CCC1CCCN1C(=O)NCCF 273464a_100000724931_100000754278 [0,1,0,1,0,0|2,0,0]=4 21083 B13R1.684 CCC1CCCN1C(=O)NCCO 273464a_100000210304_100000754278 [0,1,0,1,0,0|2,0,0]=4 21084 B13R1.684 CCC=CC(=O)N1CCCC1CC 11a_100000754278_100000212282 [0,1,0,1,0,0|2,0,0]=4 21085 B13R1.684 CCC=CC(=O)N1CCCC1CC 1626a_100000754278_100000212282 [0,1,0,1,0,0|2,0,0]=4 21086 B13R1.684 CCC=CC(=O)N1CCCC1CC 240690a_100000754278_100000212282 [0,1,0,1,0,0|2,0,0]=4 21087 B13R1.684 CCCCC(=O)C1CCCN1CC 1458a_106256033941_100000210211 [0,1,0,1,0,0|2,0,0]=4 21088 B13R1.684 CCCCC(=O)N1CCCC1CC 11a_100000754278_100000210183 [0,1,0,1,0,0|2,0,0]=4 21089 B13R1.684 CCCCC(=O)N1CCCC1CC 1626a_100000754278_100000210183 [0,1,0,1,0,0|2,0,0]=4 21090 B13R1.684 CCCCC(=O)N1CCCC1CC 240690a_100000754278_100000210183 [0,1,0,1,0,0|2,0,0]=4 21091 B13R1.684 CCCCC(=O)N1CCCC1CC 527a_100000754278_100000210183 [0,1,0,1,0,0|2,0,0]=4 21092 B13R1.684 CCCNC(=O)C1CCCN1CC 240690a_100020643023_106256033941 [0,1,0,1,0,0|2,0,0]=4 21093 B13R1.684 CCCNC(=O)C1CCCN1CC 527a_100020643023_106256033941 [0,1,0,1,0,0|2,0,0]=4 21094 B13R1.684 CCCNC(=O)N1CCCC1CC 2708a_100020643023_100000754278 [0,1,0,1,0,0|2,0,0]=4 21095 B13R1.684 CCCNC(=O)N1CCCC1CC 273464a_100020643023_100000754278 [0,1,0,1,0,0|2,0,0]=4 21096 B13R1.684 CCN1CCCC1C(=O)CCCF 1458a_106256033941_100011934791 [0,1,0,1,0,0|2,0,0]=4 21097 B13R1.684 CCN1CCCC1C(=O)CCCO 1458a_106256033941_100011215043 [0,1,0,1,0,0|2,0,0]=4 21098 B13R1.684 CCN1CCCC1C(=O)CCOC 1458a_106256033941_100000233755 [0,1,0,1,0,0|2,0,0]=4 21099 B13R1.684 CCN1CCCC1C(=O)CCSC 1458a_106256033941_100000751147 [0,1,0,1,0,0|2,0,0]=4 21100 B13R1.684 CCN1CCCC1C(=O)NCCF 240690a_100000724931_106256033941 [0,1,0,1,0,0|2,0,0]=4 21101 B13R1.684 CCN1CCCC1C(=O)NCCF 527a_100000724931_106256033941 [0,1,0,1,0,0|2,0,0]=4 21102 B13R1.684 CCN1CCCC1C(=O)NCCO 240690a_100000210304_106256033941 [0,1,0,1,0,0|2,0,0]=4 21103 B13R1.684 CCN1CCCC1C(=O)NCCO 527a_100000210304_106256033941 [0,1,0,1,0,0|2,0,0]=4 21104 B13R1.684 CCNNC(=O)C1CCCN1CC 22a_100000756455_106256033941 [0,1,0,1,0,0|2,0,0]=4 21105 B13R1.684 CCOCC(=O)N1CCCC1CC 11a_100000754278_100000211967 [0,1,0,1,0,0|1,0,0]=3 21106 B13R1.684 CCOCC(=O)N1CCCC1CC 1626a_100000754278_100000211967 [0,1,0,1,0,0|1,0,0]=3 21107 B13R1.684 CCOCC(=O)N1CCCC1CC 240690a_100000754278_100000211967 [0,1,0,1,0,0|1,0,0]=3 21108 B13R1.684 CCOCC(=O)N1CCCC1CC 527a_100000754278_100000211967 [0,1,0,1,0,0|1,0,0]=3 21109 B13R1.684 CCOCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000211967 [0,1,0,1,0,0|2,0,0]=4 21110 B13R1.684 CCOCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000211967 [0,1,0,1,0,0|2,0,0]=4 21111 B13R1.684 CCSCC(=O)N1CCCC1CC 11a_100000754278_100000230394 [0,1,0,1,0,0|1,1,0]=4 21112 B13R1.684 CCSCC(=O)N1CCCC1CC 1626a_100000754278_100000230394 [0,1,0,1,0,0|1,1,0]=4 21113 B13R1.684 CCSCC(=O)N1CCCC1CC 240690a_100000754278_100000230394 [0,1,0,1,0,0|1,1,0]=4 21114 B13R1.684 CCSCC(=O)N1CCCC1CC 527a_100000754278_100000230394 [0,1,0,1,0,0|1,1,0]=4 21115 B13R1.1133 CCCCCOC1C(=O)COC1=O 34a_100000210253_100000032967 [0,1,0,1,0,0|1,0,1]=4 21116 B13R1.1133 CCCCCSC1C(=O)COC1=O 62a_100000210326_100000032967 [0,1,0,1,0,0|1,0,1]=4 21117 B13R1.1148 CCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210326 [0,1,0,1,0,0|2,0,0]=4 21118 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210211 [0,1,0,1,0,0|2,0,0]=4 21119 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210211 [0,1,0,1,0,0|2,0,0]=4 21120 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210210 [0,1,0,1,0,0|2,0,0]=4 21121 B13R1.2488 C#CCCC(=O)C1CCCCCC1 1458a_100000692101_100011217769 [0,1,0,1,0,0|1,0,1]=4 21122 B13R1.2488 C#CCCC(=O)C1CCCCCC1 1458a_100000749507_100000753159 [0,1,0,1,0,0|1,0,1]=4 21123 B13R1.2488 C#CCNC(=O)C1CCCCCC1 11a_100000212058_100000749507 [0,1,0,1,0,0|1,0,1]=4 21124 B13R1.2488 C#CCNC(=O)C1CCCCCC1 1626a_100000212058_100000749507 [0,1,0,1,0,0|1,0,1]=4 21125 B13R1.2488 C#CCNC(=O)C1CCCCCC1 240690a_100000212058_100000749507 [0,1,0,1,0,0|1,0,1]=4 21126 B13R1.2488 C#CCNC(=O)C1CCCCCC1 527a_100000212058_100000749507 [0,1,0,1,0,0|1,0,1]=4 21127 B13R1.2488 C/C=C/CC(=O)C1CCCCCC1 1458a_100000749507_100102629194 [0,1,0,1,0,0|1,0,1]=4 21128 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749507_100000754431 [0,1,0,1,0,0|1,0,1]=4 21129 B13R1.2488 C=CCCC(=O)C1CCCCCC1 1458a_100000749702_100011217769 [0,1,0,1,0,0|1,0,1]=4 21130 B13R1.2488 C=CCNC(=O)C1CCCCCC1 1626a_100020586998_100000749507 [0,1,0,1,0,0|1,0,1]=4 21131 B13R1.2488 C=CCNC(=O)C1CCCCCC1 240690a_100020586998_100000749507 [0,1,0,1,0,0|1,0,1]=4 21132 B13R1.2488 C=CCNC(=O)C1CCCCCC1 527a_100020586998_100000749507 [0,1,0,1,0,0|1,0,1]=4 21133 B13R1.2488 CC#CCC(=O)C1CCCCCC1 1458a_100000749507_100000748600 [0,1,0,1,0,0|1,0,1]=4 21134 B13R1.2488 CC=CCC(=O)C1CCCCCC1 1458a_100000749507_100000070051 [0,1,0,1,0,0|1,0,1]=4 21135 B13R1.2488 CC=CCC(=O)C1CCCCCC1 1458a_100121576822_100011217769 [0,1,0,1,0,0|1,0,1]=4 21136 B13R1.2488 CCC#CC(=O)C1CCCCCC1 1458a_100011827653_100011217769 [0,1,0,1,0,0|1,0,0]=3 21137 B13R1.2488 CCC=CC(=O)C1CCCCCC1 1458a_100000212282_100011217769 [0,1,0,1,0,0|1,0,0]=3 21138 B13R1.2488 CCC=CC(=O)N1CCCCCC1 11a_100000185865_100000212282 [0,1,0,1,0,0|2,0,0]=4 21139 B13R1.2488 CCC=CC(=O)N1CCCCCC1 1626a_100000185865_100000212282 [0,1,0,1,0,0|2,0,0]=4 21140 B13R1.2488 CCC=CC(=O)N1CCCCCC1 240690a_100000185865_100000212282 [0,1,0,1,0,0|2,0,0]=4 21141 B13R1.2488 CCCCC(=O)C1CCCCCC1 1458a_100000210183_100011217769 [0,1,0,1,0,0|1,0,0]=3 21142 B13R1.2488 CCCCC(=O)C1CCCCCC1 1458a_100000749507_100000210211 [0,1,0,1,0,0|1,0,0]=3 21143 B13R1.2488 CCCCC(=O)N1CCCCCC1 11a_100000185865_100000210183 [0,1,0,1,0,0|2,0,0]=4 21144 B13R1.2488 CCCCC(=O)N1CCCCCC1 1626a_100000185865_100000210183 [0,1,0,1,0,0|2,0,0]=4 21145 B13R1.2488 CCCCC(=O)N1CCCCCC1 240690a_100000185865_100000210183 [0,1,0,1,0,0|2,0,0]=4 21146 B13R1.2488 CCCCC(=O)N1CCCCCC1 527a_100000185865_100000210183 [0,1,0,1,0,0|2,0,0]=4 21147 B13R1.2488 CCCNC(=O)C1CCCCCC1 11a_100020643023_100000749507 [0,1,0,1,0,0|1,0,0]=3 21148 B13R1.2488 CCCNC(=O)C1CCCCCC1 1626a_100020643023_100000749507 [0,1,0,1,0,0|1,0,0]=3 21149 B13R1.2488 CCCNC(=O)C1CCCCCC1 240690a_100020643023_100000749507 [0,1,0,1,0,0|1,0,0]=3 21150 B13R1.2488 CCCNC(=O)C1CCCCCC1 527a_100020643023_100000749507 [0,1,0,1,0,0|1,0,0]=3 21151 B13R1.2488 CCCNC(=O)N1CCCCCC1 2708a_100020643023_100000185865 [0,1,0,1,0,0|2,0,0]=4 21152 B13R1.2488 CCCNC(=O)N1CCCCCC1 273464a_100020643023_100000185865 [0,1,0,1,0,0|2,0,0]=4 21153 B13R1.2488 CCNCC(=O)N1CCCCCC1 2230a_100015525214_100000182869 [0,1,0,1,0,0|2,0,0]=4 21154 B13R1.2488 CCNNC(=O)C1CCCCCC1 22a_100000756455_100000749507 [0,1,0,1,0,0|1,0,0]=3 21155 B13R1.2488 CCOCC(=O)C1CCCCCC1 1458a_100000211967_100011217769 [0,1,0,1,0,0|0,0,0]=2 21156 B13R1.2488 CCOCC(=O)N1CCCCCC1 11a_100000185865_100000211967 [0,1,0,1,0,0|1,0,0]=3 21157 B13R1.2488 CCOCC(=O)N1CCCCCC1 1626a_100000185865_100000211967 [0,1,0,1,0,0|1,0,0]=3 21158 B13R1.2488 CCOCC(=O)N1CCCCCC1 240690a_100000185865_100000211967 [0,1,0,1,0,0|1,0,0]=3 21159 B13R1.2488 CCOCC(=O)N1CCCCCC1 34a_100121572206_100000182869 [0,1,0,1,0,0|1,0,0]=3 21160 B13R1.2488 CCOCC(=O)N1CCCCCC1 527a_100000185865_100000211967 [0,1,0,1,0,0|1,0,0]=3 21161 B13R1.2488 CCOCC(=O)N1CCCOCC1 11a_100000685342_100000211967 [0,1,0,1,0,0|2,0,0]=4 21162 B13R1.2488 CCOCC(=O)N1CCCOCC1 1626a_100000685342_100000211967 [0,1,0,1,0,0|2,0,0]=4 21163 B13R1.2488 CCOCC(=O)N1CCCOCC1 240690a_100000685342_100000211967 [0,1,0,1,0,0|2,0,0]=4 21164 B13R1.2488 CCOCC(=O)N1CCCOCC1 527a_100000685342_100000211967 [0,1,0,1,0,0|2,0,0]=4 21165 B13R1.2488 CCOCN(C)C1CCCCCC1 269982a_100015185097_100000739092 [0,1,0,1,0,0|2,0,0]=4 21166 B13R1.2488 CCSCC(=O)C1CCCCCC1 1458a_100000230394_100011217769 [0,1,0,1,0,0|0,1,0]=3 21167 B13R1.2488 CCSCC(=O)N1CCCCCC1 11a_100000185865_100000230394 [0,1,0,1,0,0|1,1,0]=4 21168 B13R1.2488 CCSCC(=O)N1CCCCCC1 1626a_100000185865_100000230394 [0,1,0,1,0,0|1,1,0]=4 21169 B13R1.2488 CCSCC(=O)N1CCCCCC1 240690a_100000185865_100000230394 [0,1,0,1,0,0|1,1,0]=4 21170 B13R1.2488 CCSCC(=O)N1CCCCCC1 527a_100000185865_100000230394 [0,1,0,1,0,0|1,1,0]=4 21171 B13R1.2488 CCSCC(=O)N1CCCCCC1 62a_100000182869_100000210202 [0,1,0,1,0,0|1,1,0]=4 21172 B13R1.2488 CCSCC(=O)N1CCCCCC1 62a_100000210202_100000182869 [0,1,0,1,0,0|1,1,0]=4 21173 B13R1.2488 COC=CC(=O)C1CCCCCC1 1458a_100016268678_100011217769 [0,1,0,1,0,0|1,0,1]=4 21174 B13R1.2488 COCCC(=O)C1CCCCCC1 1458a_100000749507_100000233755 [0,1,0,1,0,0|1,0,0]=3 21175 B13R1.2488 COCCC(=O)C1CCCCCC1 1458a_100000749529_100011217769 [0,1,0,1,0,0|1,0,0]=3 21176 B13R1.2488 COCCC(=O)N1CCCCCC1 11a_100000185865_100000749529 [0,1,0,1,0,0|2,0,0]=4 21177 B13R1.2488 COCCC(=O)N1CCCCCC1 1626a_100000185865_100000749529 [0,1,0,1,0,0|2,0,0]=4 21178 B13R1.2488 COCCC(=O)N1CCCCCC1 240690a_100000185865_100000749529 [0,1,0,1,0,0|2,0,0]=4 21179 B13R1.2488 COCCC(=O)N1CCCCCC1 527a_100000185865_100000749529 [0,1,0,1,0,0|2,0,0]=4 21180 B13R1.2488 CSCCC(=O)C1CCCCCC1 1458a_100000174002_100011217769 [0,1,0,1,0,0|1,0,0]=3 21181 B13R1.2488 CSCCC(=O)C1CCCCCC1 1458a_100000749507_100000751147 [0,1,0,1,0,0|1,0,0]=3 21182 B13R1.2488 CSCCC(=O)N1CCCCCC1 11a_100000185865_100000174002 [0,1,0,1,0,0|2,0,0]=4 21183 B13R1.2488 CSCCC(=O)N1CCCCCC1 1626a_100000185865_100000174002 [0,1,0,1,0,0|2,0,0]=4 21184 B13R1.2488 CSCCC(=O)N1CCCCCC1 240690a_100000185865_100000174002 [0,1,0,1,0,0|2,0,0]=4 21185 B13R1.2488 CSCCC(=O)N1CCCCCC1 527a_100000185865_100000174002 [0,1,0,1,0,0|2,0,0]=4 21186 B13R1.2488 N#CCCC(=O)C1CCCCCC1 1458a_100000749507_100011215226 [0,1,0,1,0,0|1,0,1]=4 21187 B13R1.2488 N#CCCC(=O)C1CCCCCC1 1458a_100011934036_100011217769 [0,1,0,1,0,0|1,0,1]=4 21188 B13R1.2488 N#CCNC(=O)C1CCCCCC1 1626a_100000734998_100000749507 [0,1,0,1,0,0|1,0,1]=4 21189 B13R1.2488 N#CCNC(=O)C1CCCCCC1 527a_100000734998_100000749507 [0,1,0,1,0,0|1,0,1]=4 21190 B13R1.2488 O=C(C#CCO)C1CCCCCC1 1458a_100000049017_100011217769 [0,1,0,1,0,0|1,0,1]=4 21191 B13R1.2488 O=C(CCCF)C1CCCCCC1 1458a_100000749507_100011934791 [0,1,0,1,0,0|1,0,0]=3 21192 B13R1.2488 O=C(CCCO)C1CCCCCC1 1458a_100000749507_100011215043 [0,1,0,1,0,0|1,0,0]=3 21193 B13R1.2488 O=C(NCCF)C1CCCCCC1 11a_100000724931_100000749507 [0,1,0,1,0,0|1,0,0]=3 21194 B13R1.2488 O=C(NCCF)C1CCCCCC1 1626a_100000724931_100000749507 [0,1,0,1,0,0|1,0,0]=3 21195 B13R1.2488 O=C(NCCF)C1CCCCCC1 240690a_100000724931_100000749507 [0,1,0,1,0,0|1,0,0]=3 21196 B13R1.2488 O=C(NCCF)C1CCCCCC1 527a_100000724931_100000749507 [0,1,0,1,0,0|1,0,0]=3 21197 B13R1.2488 O=C(NCCF)N1CCCCCC1 273464a_100000724931_100000185865 [0,1,0,1,0,0|2,0,0]=4 21198 B13R1.2488 O=C(NCCO)C1CCCCCC1 240690a_100000210304_100000749507 [0,1,0,1,0,0|1,0,0]=3 21199 B13R1.2488 O=C(NCCO)C1CCCCCC1 527a_100000210304_100000749507 [0,1,0,1,0,0|1,0,0]=3 21200 B13R1.2488 O=C(NCCO)N1CCCCCC1 273464a_100000210304_100000185865 [0,1,0,1,0,0|2,0,0]=4 21201 B13R1.3580 C=C(COCC1CC1C)OCOC 34a_100000744939_100000042856 [0,1,0,1,0,0|2,0,0]=4 21202 B13R1.3580 C=CCOC(=O)COCC1CC1C 34a_100000744939_100000033060 [0,1,0,1,0,0|1,0,1]=4 21203 B13R1.3580 C=CCOC(=O)COCC1CC1C 7a_100000744939_100000033060 [0,1,0,1,0,0|1,0,1]=4 21204 B13R1.3580 CCCNC(=O)COCC1CC1C 34a_100000744939_100000183358 [0,1,0,1,0,0|2,0,0]=4 21205 B13R1.3580 CCCNC(=O)COCC1CC1C 7a_100000744939_100000183358 [0,1,0,1,0,0|2,0,0]=4 21206 B13R1.3580 CCCOC(=O)COCC1CC1C 34a_100000744939_200011215008 [0,1,0,1,0,0|1,0,0]=3 21207 B13R1.3580 CCCOC(=O)COCC1CC1C 7a_100000744939_200011215008 [0,1,0,1,0,0|1,0,0]=3 21208 B13R1.20 CC1CCCC(C1)CC(=O)CCF 1458a_100000748788_100011217306 [0,1,0,1,0,0|2,0,0]=4 21209 B13R1.20 CC1CCCC(C1)CC(=O)CCO 1458a_100000748788_100000211926 [0,1,0,1,0,0|2,0,0]=4 21210 B13R1.20 CCCC(=O)CC1CCCC(C1)C 1458a_100000748788_100000210303 [0,1,0,1,0,0|1,0,0]=3 21211 B13R1.20 CCCC(=O)CC1CCCN(C1)C 1458a_100000211992_100015183302 [0,1,0,1,0,0|2,0,0]=4 21212 B13R1.20 CCCC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747444 [0,1,0,1,0,0|2,0,0]=4 21213 B13R1.20 CCCC(=O)CN1CCCC(C1)F 269982a_100000697950_100000747444 [0,1,0,1,0,0|2,0,0]=4 21214 B13R1.20 CCCC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747444 [0,1,0,1,0,0|2,0,0]=4 21215 B13R1.20 CCCC(=O)CN1CCCC(C1)O 269982a_100000211013_100000747444 [0,1,0,1,0,0|2,0,0]=4 21216 B13R1.20 CCCC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000747444 [0,1,0,1,0,0|2,0,0]=4 21217 B13R1.20 CCCC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000747444 [0,1,0,1,0,0|2,0,0]=4 21218 B13R1.20 CCCC(=O)CN1CCOC(=O)C1 2230a_100000131268_100000747444 [0,1,0,1,0,0|1,0,1]=4 21219 B13R1.20 CCCC(=O)NC1CCCC(C1)C 11a_100011194320_100000211992 [0,1,0,1,0,0|2,0,0]=4 21220 B13R1.20 CCCC(=O)NC1CCCC(C1)C 1626a_100011194320_100000211992 [0,1,0,1,0,0|2,0,0]=4 21221 B13R1.20 CCCC(=O)NC1CCCC(C1)C 240690a_100011194320_100000211992 [0,1,0,1,0,0|2,0,0]=4 21222 B13R1.20 CCCC(=O)NC1CCCC(C1)C 527a_100011194320_100000211992 [0,1,0,1,0,0|2,0,0]=4 21223 B13R1.20 CCCC(=O)NC1CCCC(C1)O 1626a_100015190357_100000211992 [0,1,0,1,0,0|2,0,0]=4 21224 B13R1.20 CCCC(=O)NC1CCCC(C1)O 240690a_100015190357_100000211992 [0,1,0,1,0,0|2,0,0]=4 21225 B13R1.20 CCCC(C)CN1CCNC(=O)C1 2230a_100000184651_100011216630 [0,1,0,1,0,0|2,0,0]=4 21226 B13R1.20 CCCC(C)CN1CCNC(=O)C1 270004a_100000184651_100000243154 [0,1,0,1,0,0|2,0,0]=4 21227 B13R1.20 CCCC(C)CN1CCOC(=O)C1 2230a_100000131268_100011216630 [0,1,0,1,0,0|1,0,0]=3 21228 B13R1.20 CCCC(C)CN1CCOC(=O)C1 270004a_100000131268_100000243154 [0,1,0,1,0,0|1,0,0]=3 21229 B13R1.20 CCCC(C)NC1CCNC(=O)C1 2230a_100016994916_100000766640 [0,1,0,1,0,0|2,0,0]=4 21230 B13R1.20 CCCC(C)NC1CCNC(=O)C1 34a_100016994916_100000766640 [0,1,0,1,0,0|2,0,0]=4 21231 B13R1.20 CCCC(C)OC1CCCC(=O)C1 34a_100012613340_100000766640 [0,1,0,1,0,0|2,0,0]=4 21232 B13R1.20 CCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000766640 [0,1,0,1,0,0|2,0,0]=4 21233 B13R1.20 CCNC(=O)CC1CCCC(C1)C 11a_100015525214_100000748788 [0,1,0,1,0,0|1,0,0]=3 21234 B13R1.20 CCNC(=O)CC1CCCC(C1)C 240690a_100015525214_100000748788 [0,1,0,1,0,0|1,0,0]=3 21235 B13R1.20 CCNC(=O)CC1CCCC(C1)C 527a_100015525214_100000748788 [0,1,0,1,0,0|1,0,0]=3 21236 B13R1.20 CCNC(=O)CN1CCCC(C1)F 2230a_100000697950_100000183381 [0,1,0,1,0,0|2,0,0]=4 21237 B13R1.20 CCNC(=O)CN1CCCC(C1)F 269982a_100000697950_100000183381 [0,1,0,1,0,0|2,0,0]=4 21238 B13R1.20 CCNC(=O)CN1CCCC(C1)F 34a_100000697950_100000183381 [0,1,0,1,0,0|2,0,0]=4 21239 B13R1.20 CCNC(=O)CN1CCCC(C1)O 2230a_100000211013_100000183381 [0,1,0,1,0,0|2,0,0]=4 21240 B13R1.20 CCNC(=O)CN1CCCC(C1)O 269982a_100000211013_100000183381 [0,1,0,1,0,0|2,0,0]=4 21241 B13R1.20 CCNC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000183381 [0,1,0,1,0,0|2,0,0]=4 21242 B13R1.20 CCNC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000183381 [0,1,0,1,0,0|2,0,0]=4 21243 B13R1.20 CCNC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000183381 [0,1,0,1,0,0|2,0,0]=4 21244 B13R1.20 CCNC(=O)NC1CCCC(C1)C 2708a_100011194320_100015525214 [0,1,0,1,0,0|2,0,0]=4 21245 B13R1.20 CCNC(=O)NC1CCCC(C1)C 2708a_100015525214_100011194320 [0,1,0,1,0,0|2,0,0]=4 21246 B13R1.20 CCNC(=O)NC1CCCC(C1)C 273464a_100011194320_100015525214 [0,1,0,1,0,0|2,0,0]=4 21247 B13R1.20 CCNC(=O)NC1CCCC(C1)C 273464a_100015525214_100011194320 [0,1,0,1,0,0|2,0,0]=4 21248 B13R1.20 CCNC(=O)NC1CCCC(C1)C 512a_100011194320_100015525214 [0,1,0,1,0,0|2,0,0]=4 21249 B13R1.20 CCNC(=O)NC1CCCC(C1)C 512a_100015525214_100011194320 [0,1,0,1,0,0|2,0,0]=4 21250 B13R1.20 CCNC(=O)NC1CCCC(C1)O 2708a_100015525214_100015190357 [0,1,0,1,0,0|2,0,0]=4 21251 B13R1.20 CCNC(=O)NC1CCCC(C1)O 273464a_100015190357_100015525214 [0,1,0,1,0,0|2,0,0]=4 21252 B13R1.20 CCNC(=O)NC1CCCC(C1)O 273464a_100015525214_100015190357 [0,1,0,1,0,0|2,0,0]=4 21253 B13R1.20 CCNC(=O)NC1CCCC(C1)O 512a_100015190357_100015525214 [0,1,0,1,0,0|2,0,0]=4 21254 B13R1.20 CCNC(=O)NC1CCCC(C1)O 512a_100015525214_100015190357 [0,1,0,1,0,0|2,0,0]=4 21255 B13R1.20 CCOC(=O)CC1CCCN(C1)C 2230a_100015200144_200000210301 [0,1,0,1,0,0|1,0,0]=3 21256 B13R1.20 CCOC(=O)CC1CCCN(C1)C 269982a_100015200144_200000210301 [0,1,0,1,0,0|1,0,0]=3 21257 B13R1.20 CCOC(=O)CC1CCCN(C1)[13CH3] 2230a_100015200144_200025704644 [0,1,0,1,0,0|1,0,0]=3 21258 B13R1.20 CCOC(=O)CC1CCCN(C1)[13CH3] 269982a_100015200144_200025704644 [0,1,0,1,0,0|1,0,0]=3 21259 B13R1.20 CCOC(=O)CN1CCCC(C1)F 2230a_100000697950_100000188475 [0,1,0,1,0,0|1,0,0]=3 21260 B13R1.20 CCOC(=O)CN1CCCC(C1)F 269982a_100000697950_100000188475 [0,1,0,1,0,0|1,0,0]=3 21261 B13R1.20 CCOC(=O)CN1CCCC(C1)F 34a_100000697950_100000188475 [0,1,0,1,0,0|1,0,0]=3 21262 B13R1.20 CCOC(=O)CN1CCCC(C1)O 2230a_100000211013_100000188475 [0,1,0,1,0,0|1,0,0]=3 21263 B13R1.20 CCOC(=O)CN1CCCC(C1)O 269982a_100000211013_100000188475 [0,1,0,1,0,0|1,0,0]=3 21264 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 2230a_100000717927_100000188475 [0,1,0,1,0,0|1,0,0]=3 21265 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 269982a_100000717927_100000188475 [0,1,0,1,0,0|1,0,0]=3 21266 B13R1.20 CCOC(=O)CN1CCC[C@@H](C1)C 34a_100000717927_100000188475 [0,1,0,1,0,0|1,0,0]=3 21267 B13R1.20 CCOC(=O)CN1CCOC(C1)C 2230a_100000729577_100000188475 [0,1,0,1,0,0|2,0,0]=4 21268 B13R1.20 CCOC(=O)CN1CCOC(C1)C 269982a_100000729577_100000188475 [0,1,0,1,0,0|2,0,0]=4 21269 B13R1.20 CCOC(=O)CN1CCOC(C1)C 34a_100000729577_100000188475 [0,1,0,1,0,0|2,0,0]=4 21270 B13R1.20 CCOC(=O)CN1CCOC(C1)O 2230a_100000688207_100000188475 [0,1,0,1,0,0|2,0,0]=4 21271 B13R1.20 CCOC(=O)CN1CCOC(C1)O 269982a_100000688207_100000188475 [0,1,0,1,0,0|2,0,0]=4 21272 B13R1.20 CNNC(=O)CC1CCCC(C1)C 22a_100016993582_100000748788 [0,1,0,1,0,0|2,0,0]=4 21273 B13R1.33 CCCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747444 [0,1,0,1,0,0|1,0,1]=4 21274 B13R1.33 CCCC(=O)CC(C)N1CCCC1 1458a_100000211992_200015187269 [0,1,0,1,0,0|2,0,0]=4 21275 B13R1.33 CCCC(=O)CN(C)C1CCCC1 1458a_100073796569_100000210303 [0,1,0,1,0,0|2,0,0]=4 21276 B13R1.33 CCCC(=O)CN(C)C1CCCC1 2230a_100000207505_100000747444 [0,1,0,1,0,0|2,0,0]=4 21277 B13R1.33 CCCC(=O)CN(C)C1CCCC1 269982a_100000207505_100000747444 [0,1,0,1,0,0|2,0,0]=4 21278 B13R1.33 CCCC(=O)NC(C)C1CCCC1 11a_100015185923_100000211992 [0,1,0,1,0,0|2,0,0]=4 21279 B13R1.33 CCCC(=O)NC(C)C1CCCC1 1626a_100015185923_100000211992 [0,1,0,1,0,0|2,0,0]=4 21280 B13R1.33 CCCC(=O)NC(C)C1CCCC1 240690a_100015185923_100000211992 [0,1,0,1,0,0|2,0,0]=4 21281 B13R1.33 CCCC(=O)NC(C)C1CCCC1 527a_100015185923_100000211992 [0,1,0,1,0,0|2,0,0]=4 21282 B13R1.33 CCNC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000183381 [0,1,0,1,0,0|1,0,1]=4 21283 B13R1.33 CCNC(=O)CN(C)C1CCCC1 2230a_100000207505_100000183381 [0,1,0,1,0,0|2,0,0]=4 21284 B13R1.33 CCNC(=O)CN(C)C1CCCC1 2230a_100000741943_100000179811 [0,1,0,1,0,0|2,0,0]=4 21285 B13R1.33 CCNC(=O)CN(C)C1CCCC1 240690a_100015525214_100073796569 [0,1,0,1,0,0|2,0,0]=4 21286 B13R1.33 CCNC(=O)CN(C)C1CCCC1 269982a_100000207505_100000183381 [0,1,0,1,0,0|2,0,0]=4 21287 B13R1.33 CCNC(=O)CN(C)C1CCCC1 269982a_100000741943_100000179811 [0,1,0,1,0,0|2,0,0]=4 21288 B13R1.33 CCNC(=O)CN(C)C1CCCC1 270004a_100000741943_100000210133 [0,1,0,1,0,0|2,0,0]=4 21289 B13R1.33 CCNC(=O)CN(C)C1CCCC1 34a_100000207505_100000183381 [0,1,0,1,0,0|2,0,0]=4 21290 B13R1.33 CCNC(=O)CN(C)C1CCCC1 527a_100015525214_100073796569 [0,1,0,1,0,0|2,0,0]=4 21291 B13R1.33 CCNC(=O)NC(C)C1CCCC1 2708a_100015185923_100015525214 [0,1,0,1,0,0|2,0,0]=4 21292 B13R1.33 CCNC(=O)NC(C)C1CCCC1 2708a_100015525214_100015185923 [0,1,0,1,0,0|2,0,0]=4 21293 B13R1.33 CCNC(=O)NC(C)C1CCCC1 273464a_100015185923_100015525214 [0,1,0,1,0,0|2,0,0]=4 21294 B13R1.33 CCNC(=O)NC(C)C1CCCC1 273464a_100015525214_100015185923 [0,1,0,1,0,0|2,0,0]=4 21295 B13R1.33 CCNC(=O)NC(C)C1CCCC1 512a_100015185923_100015525214 [0,1,0,1,0,0|2,0,0]=4 21296 B13R1.33 CCNC(=O)NC(C)C1CCCC1 512a_100015525214_100015185923 [0,1,0,1,0,0|2,0,0]=4 21297 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000188475 [0,1,0,1,0,0|0,0,1]=3 21298 B13R1.33 CCOC(=O)CC(=O)C1CCCC1 1458a_100000243816_100000179811 [0,1,0,1,0,0|0,0,1]=3 21299 B13R1.33 CCOC(=O)CC(=O)C1CCCS1 1458a_100012002731_100000188475 [0,1,0,1,0,0|1,0,1]=4 21300 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 1458a_100000243816_100000690089 [0,1,0,1,0,0|1,0,1]=4 21301 B13R1.33 CCOC(=O)CC(=O)C1CCOC1 1458a_100011219752_100000188475 [0,1,0,1,0,0|1,0,1]=4 21302 B13R1.33 CCOC(=O)CC(=O)N1CCCC1 240690a_100000188435_100000243816 [0,1,0,1,0,0|1,0,1]=4 21303 B13R1.33 CCOC(=O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000188475 [0,1,0,1,0,0|1,0,1]=4 21304 B13R1.33 CCOC(=O)CC(C)N1CCCC1 2230a_100000188435_100009817359 [0,1,0,1,0,0|1,0,0]=3 21305 B13R1.33 CCOC(=O)CC(C)N1CCCC1 269982a_100000188435_100009817359 [0,1,0,1,0,0|1,0,0]=3 21306 B13R1.33 CCOC(=O)CC(C)N1CCSC1 2230a_100011215254_100009817359 [0,1,0,1,0,0|2,0,0]=4 21307 B13R1.33 CCOC(=O)CC(C)N1CCSC1 269982a_100011215254_100009817359 [0,1,0,1,0,0|2,0,0]=4 21308 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100000207505_100000188475 [0,1,0,1,0,0|1,0,0]=3 21309 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100000220588_100000179811 [0,1,0,1,0,0|1,0,0]=3 21310 B13R1.33 CCOC(=O)CN(C)C1CCCC1 2230a_100025761507_200000210301 [0,1,0,1,0,0|1,0,0]=3 21311 B13R1.33 CCOC(=O)CN(C)C1CCCC1 269982a_100000207505_100000188475 [0,1,0,1,0,0|1,0,0]=3 21312 B13R1.33 CCOC(=O)CN(C)C1CCCC1 270004a_100000220588_100000210133 [0,1,0,1,0,0|1,0,0]=3 21313 B13R1.33 CCOC(=O)CN(C)C1CCCC1 34a_100000207505_100000188475 [0,1,0,1,0,0|1,0,0]=3 21314 B13R1.33 CCOC(=O)CN(C)C1CCOC1 2230a_100000220588_100000731011 [0,1,0,1,0,0|2,0,0]=4 21315 B13R1.33 CCOC(=O)CN(C)C1CCOC1 2230a_100016988252_100000188475 [0,1,0,1,0,0|2,0,0]=4 21316 B13R1.33 CCOC(=O)CN(C)C1CCOC1 269982a_100016988252_100000188475 [0,1,0,1,0,0|2,0,0]=4 21317 B13R1.33 CCOC(=O)CN(C)C1CCOC1 270004a_100000220588_100000752484 [0,1,0,1,0,0|2,0,0]=4 21318 B13R1.33 CCOC(=O)CN(C)C1CCOC1 34a_100016988252_100000188475 [0,1,0,1,0,0|2,0,0]=4 21319 B13R1.33 CCOC(=O)CN(C)C1CCSC1 270004a_100000220588_100000212027 [0,1,0,1,0,0|2,0,0]=4 21320 B13R1.33 CCOC(=O)CN([13CH3])C1CCCC1 2230a_100025761507_200025704644 [0,1,0,1,0,0|1,0,0]=3 21321 B13R1.33 CCOC(=O)OC(C)N1CCCC1 269982a_100000188435_100000036008 [0,1,0,1,0,0|2,0,0]=4 21322 B13R1.689 CCCC(=O)CC1CCN(C1)CC 1458a_100000211992_100015184589 [0,1,0,1,0,0|2,0,0]=4 21323 B13R1.689 CCOC(=O)CN1CCC(C1)CO 2230a_100000748654_100000188475 [0,1,0,1,0,0|2,0,0]=4 21324 B13R1.689 CCOC(=O)CN1CCC(C1)CO 269982a_100000748654_100000188475 [0,1,0,1,0,0|2,0,0]=4 21325 B13R1.689 CCOC(=O)CN1CCC(C1)CO 34a_100000748654_100000188475 [0,1,0,1,0,0|2,0,0]=4 21326 B13R1.689 CCOC(=O)CN1CC[C@H](C1)OC 2230a_100000766984_100000188475 [0,1,0,1,0,0|2,0,0]=4 21327 B13R1.689 CCOC(=O)CN1CC[C@H](C1)OC 269982a_100000766984_100000188475 [0,1,0,1,0,0|2,0,0]=4 21328 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CC 2230a_106256037354_100000210202 [0,1,0,1,0,0|1,0,0]=3 21329 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CC 269982a_106256037354_100000204670 [0,1,0,1,0,0|1,0,0]=3 21330 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CF 269982a_106256037354_100015361967 [0,1,0,1,0,0|2,0,0]=4 21331 B13R1.725 CCCCCC(=O)C1CCCC1=O 1458a_100000212188_100000211823 [0,1,0,1,0,0|1,0,1]=4 21332 B13R1.725 CCCCCC(=O)C1CCOC1=O 1458a_100000212188_100000211211 [0,1,0,1,0,0|0,0,1]=3 21333 B13R1.725 CCCCCN(C)C1CCCC1=O 2230a_100000223495_100000211823 [0,1,0,1,0,0|2,0,0]=4 21334 B13R1.725 CCCCCN(C)C1CCCC1=O 269982a_100000223495_100000211823 [0,1,0,1,0,0|2,0,0]=4 21335 B13R1.725 CCCCCN(C)C1CCOC1=O 2230a_100000223495_100000211211 [0,1,0,1,0,0|1,0,0]=3 21336 B13R1.725 CCCCCN(C)C1CCOC1=O 269982a_100000223495_100000211211 [0,1,0,1,0,0|1,0,0]=3 21337 B13R1.725 CCCOCC(=O)C1CCOC1=O 1458a_100000745993_100000211211 [0,1,0,1,0,0|1,0,1]=4 21338 B13R1.725 CCCSCC(=O)C1CCOC1=O 1458a_100000217233_100000211211 [0,1,0,1,0,0|1,0,1]=4 21339 B13R1.725 CCOCCC(=O)C1CCOC1=O 1458a_100000749530_100000211211 [0,1,0,1,0,0|1,0,1]=4 21340 B13R1.725 CCSCCC(=O)C1CCOC1=O 1458a_100000230768_100000211211 [0,1,0,1,0,0|1,0,1]=4 21341 B13R1.725 CN(CCCCO)C1CCOC1=O 2230a_100000717598_100000211211 [0,1,0,1,0,0|2,0,0]=4 21342 B13R1.725 CN(CCCCO)C1CCOC1=O 269982a_100000717598_100000211211 [0,1,0,1,0,0|2,0,0]=4 21343 B13R1.725 COCCCC(=O)C1CCOC1=O 1458a_100000741012_100000211211 [0,1,0,1,0,0|1,0,1]=4 21344 B13R1.725 COCCCN(C)C1CCOC1=O 2230a_100000224831_100000211211 [0,1,0,1,0,0|2,0,0]=4 21345 B13R1.725 COCCCN(C)C1CCOC1=O 269982a_100000224831_100000211211 [0,1,0,1,0,0|2,0,0]=4 21346 B13R1.725 CSCCCC(=O)C1CCOC1=O 1458a_100000173376_100000211211 [0,1,0,1,0,0|1,0,1]=4 21347 B13R1.725 O=C(CCCCO)C1CCOC1=O 1458a_100000695505_100000211211 [0,1,0,1,0,0|1,0,1]=4 21348 B13R1.2570 CCCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210303 [0,1,0,1,0,0|1,0,0]=3 21349 B13R1.2570 CCCC(=O)NC1(CCCCC1)C 11a_100000741114_100000211992 [0,1,0,1,0,0|2,0,0]=4 21350 B13R1.2570 CCCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000211992 [0,1,0,1,0,0|2,0,0]=4 21351 B13R1.2570 CCCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000211992 [0,1,0,1,0,0|2,0,0]=4 21352 B13R1.2570 CCCC(=O)NC1(CCCCC1)C 527a_100000741114_100000211992 [0,1,0,1,0,0|2,0,0]=4 21353 B13R1.2570 CCNC(=O)CC1(CCCCC1)O 240690a_100015525214_100000755886 [0,1,0,1,0,0|1,0,0]=3 21354 B13R1.2570 CCNC(=O)CC1(CCCCC1)O 527a_100015525214_100000755886 [0,1,0,1,0,0|1,0,0]=3 21355 B13R1.2570 CCNC(=O)NC1(CCCCC1)C 2708a_100015525214_100000741114 [0,1,0,1,0,0|2,0,0]=4 21356 B13R1.2570 CCNC(=O)NC1(CCCCC1)C 273464a_100000741114_100015525214 [0,1,0,1,0,0|2,0,0]=4 21357 B13R1.2570 CCNC(=O)NC1(CCCCC1)C 273464a_100015525214_100000741114 [0,1,0,1,0,0|2,0,0]=4 21358 B13R1.2570 CCNC(=O)NC1(CCCCC1)C 512a_100000741114_100015525214 [0,1,0,1,0,0|2,0,0]=4 21359 B13R1.2570 CNNC(=O)CC1(CCCCC1)O 22a_100016993582_100000755886 [0,1,0,1,0,0|2,0,0]=4 21360 B13R1.2570 O=C(CCF)CC1(CCCCC1)O 1458a_100000755886_100011217306 [0,1,0,1,0,0|2,0,0]=4 21361 B13R1.2570 O=C(CCO)CC1(CCCCC1)O 1458a_100000755886_100000211926 [0,1,0,1,0,0|2,0,0]=4 21362 B13R1.2844 CCCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747444 [0,1,0,1,0,0|1,0,1]=4 21363 B13R1.2844 CCNC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000183381 [0,1,0,1,0,0|1,0,1]=4 21364 B13R1.2844 CCOC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000188475 [0,1,0,1,0,0|0,0,1]=3 21365 B13R1.2845 CCOC(=O)CC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100009817359 [0,1,0,1,0,0|2,0,0]=4 21366 B13R1.2845 CCOC(=O)CC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100009817359 [0,1,0,1,0,0|2,0,0]=4 21367 B13R1.2846 CCCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747444 [0,1,0,1,0,0|1,0,1]=4 21368 B13R1.2846 CCCC(=O)CN(C)CC1CCC1 2230a_200000750244_100000747444 [0,1,0,1,0,0|2,0,0]=4 21369 B13R1.2846 CCCC(=O)CN(C)CC1CCC1 269982a_200000750244_100000747444 [0,1,0,1,0,0|2,0,0]=4 21370 B13R1.2846 CCNC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000183381 [0,1,0,1,0,0|1,0,1]=4 21371 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 2230a_100000741943_100000763275 [0,1,0,1,0,0|2,0,0]=4 21372 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 2230a_200000750244_100000183381 [0,1,0,1,0,0|2,0,0]=4 21373 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 269982a_100000741943_100000763275 [0,1,0,1,0,0|2,0,0]=4 21374 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 269982a_200000750244_100000183381 [0,1,0,1,0,0|2,0,0]=4 21375 B13R1.2846 CCNC(=O)CN(C)CC1CCC1 34a_200000750244_100000183381 [0,1,0,1,0,0|2,0,0]=4 21376 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 1458a_100000243816_100000763275 [0,1,0,1,0,0|0,0,1]=3 21377 B13R1.2846 CCOC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000188475 [0,1,0,1,0,0|0,0,1]=3 21378 B13R1.2846 CCOC(=O)CC(=O)CC1CCO1 1458a_100000243816_100000103362 [0,1,0,1,0,0|1,0,1]=4 21379 B13R1.2846 CCOC(=O)CC(=O)CC1COC1 1458a_100000243816_100010264016 [0,1,0,1,0,0|1,0,1]=4 21380 B13R1.2846 CCOC(=O)CC(=O)CC1COC1 1458a_100000687760_100000188475 [0,1,0,1,0,0|1,0,1]=4 21381 B13R1.2846 CCOC(=O)CC(=O)CN1CCC1 269982a_100000754969_100000210311 [0,1,0,1,0,0|1,0,1]=4 21382 B13R1.2846 CCOC(=O)CC(=O)NC1CCC1 240690a_100000749019_100000243816 [0,1,0,1,0,0|1,0,1]=4 21383 B13R1.2846 CCOC(=O)CC(C)NC1CCC1 2230a_100000749019_100009817359 [0,1,0,1,0,0|1,0,0]=3 21384 B13R1.2846 CCOC(=O)CC(C)NC1COC1 2230a_100016991112_100009817359 [0,1,0,1,0,0|2,0,0]=4 21385 B13R1.2846 CCOC(=O)CC(C)OC1CSC1 7a_100000072292_100009817359 [0,1,0,1,0,0|2,0,0]=4 21386 B13R1.2846 CCOC(=O)CC(C)SC1CCC1 62a_100009817359_100000749161 [0,1,0,1,0,0|1,0,0]=3 21387 B13R1.2846 CCOC(=O)CC(C)SC1COC1 62a_100009817359_100009818527 [0,1,0,1,0,0|2,0,0]=4 21388 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 2230a_100000220588_100000763275 [0,1,0,1,0,0|1,0,0]=3 21389 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 2230a_200000750244_100000188475 [0,1,0,1,0,0|1,0,0]=3 21390 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 269982a_200000750244_100000188475 [0,1,0,1,0,0|1,0,0]=3 21391 B13R1.2846 CCOC(=O)CN(C)CC1CCC1 34a_200000750244_100000188475 [0,1,0,1,0,0|1,0,0]=3 21392 B13R1.2846 CCOC(=O)CN(C)CC1CCO1 2230a_100000220588_100000103362 [0,1,0,1,0,0|2,0,0]=4 21393 B13R1.2846 CCOC(=O)CN(C)CC1COC1 2230a_100000220588_100010264016 [0,1,0,1,0,0|2,0,0]=4 21394 B13R1.2846 CCOC(=O)C[C@@H](C)OC1COC1 7a_100009816390_100009818527 [0,1,0,1,0,0|2,0,0]=4 21395 B13R1.2846 CCOC(=O)C[C@H](O)CN1CCC1 269982a_100000754969_100000688340 [0,1,0,1,0,0|1,0,0]=3 21396 B13R1.2846 CCOC(=O)OC(C)SC1CCC1 62a_100000036008_100000749161 [0,1,0,1,0,0|2,0,0]=4 21397 B13R1.2847 CCCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747444 [0,1,0,1,0,0|1,0,1]=4 21398 B13R1.2847 CCNC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000183381 [0,1,0,1,0,0|1,0,1]=4 21399 B13R1.2847 CCNC(=O)CN(C)CCC1CC1 2230a_100000741943_100000694398 [0,1,0,1,0,0|2,0,0]=4 21400 B13R1.2847 CCNC(=O)CN(C)CCC1CC1 269982a_100000741943_100000694398 [0,1,0,1,0,0|2,0,0]=4 21401 B13R1.2847 CCOC(=O)CC(=O)CCC1CC1 1458a_100000243816_100000694398 [0,1,0,1,0,0|0,0,1]=3 21402 B13R1.2847 CCOC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000188475 [0,1,0,1,0,0|0,0,1]=3 21403 B13R1.2847 CCOC(=O)CC(=O)CCC1CO1 1458a_100000243816_100000732470 [0,1,0,1,0,0|1,0,1]=4 21404 B13R1.2847 CCOC(=O)CC(=O)CSC1CC1 62a_100000210311_100000211595 [0,1,0,1,0,0|1,0,1]=4 21405 B13R1.2847 CCOC(=O)CC(=O)NCC1CC1 240690a_100000735609_100000243816 [0,1,0,1,0,0|1,0,1]=4 21406 B13R1.2847 CCOC(=O)CC(C)NCC1CC1 2230a_100000735609_100009817359 [0,1,0,1,0,0|1,0,0]=3 21407 B13R1.2847 CCOC(=O)CC(C)SCC1CC1 62a_100000756562_100009817359 [0,1,0,1,0,0|1,0,0]=3 21408 B13R1.2847 CCOC(=O)CC(C)SCC1CC1 62a_100009817359_100000742324 [0,1,0,1,0,0|1,0,0]=3 21409 B13R1.2847 CCOC(=O)CC(C)SCC1CO1 62a_100009817359_102125554688 [0,1,0,1,0,0|2,0,0]=4 21410 B13R1.2847 CCOC(=O)CC(C)SCC1CO1 62a_102125554688_100009817359 [0,1,0,1,0,0|2,0,0]=4 21411 B13R1.2847 CCOC(=O)CC(C)SCC1CS1 62a_100000031435_100009817359 [0,1,0,1,0,0|2,0,0]=4 21412 B13R1.2847 CCOC(=O)CC(C)SCC1CS1 62a_100009817359_100000031435 [0,1,0,1,0,0|2,0,0]=4 21413 B13R1.2847 CCOC(=O)CC(C)SC[C@@H]1CO1 62a_100000745022_100009817359 [0,1,0,1,0,0|2,0,0]=4 21414 B13R1.2847 CCOC(=O)CC(C)SC[C@@H]1CO1 62a_100009817359_100000745022 [0,1,0,1,0,0|2,0,0]=4 21415 B13R1.2847 CCOC(=O)CN(C)CCC1CC1 2230a_100000220588_100000694398 [0,1,0,1,0,0|1,0,0]=3 21416 B13R1.2847 CCOC(=O)CN(C)CCC1CO1 2230a_100000220588_100000732470 [0,1,0,1,0,0|2,0,0]=4 21417 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CC1 7a_100009816390_100000742324 [0,1,0,1,0,0|1,0,0]=3 21418 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CO1 7a_100009816390_102125554688 [0,1,0,1,0,0|2,0,0]=4 21419 B13R1.2847 CCOC(=O)C[C@@H](C)OCC1CS1 7a_100009816390_100000031435 [0,1,0,1,0,0|2,0,0]=4 21420 B13R1.2847 CCOC(=O)C[C@@H](C)OC[C@@H]1CO1 7a_100009816390_100000745022 [0,1,0,1,0,0|2,0,0]=4 21421 B13R1.2847 CCOC(=O)C[C@H](O)CNC1CC1 34a_100000212008_100000688340 [0,1,0,1,0,0|1,0,0]=3 21422 B13R1.2847 CCOC(=O)C[C@H](O)CSC1CC1 62a_100000688340_100000211595 [0,1,0,1,0,0|1,0,0]=3 21423 B13R1.2847 CCOC(=O)OC(C)SCC1CC1 62a_100000036008_100000742324 [0,1,0,1,0,0|2,0,0]=4 21424 B13R1.2847 CCOC(=O)OC(C)SCC1CC1 62a_100000756562_100000036008 [0,1,0,1,0,0|2,0,0]=4 21425 B13R1.2848 CCOC(=O)CC(=O)N1CCC1C 240690a_100000755817_100000243816 [0,1,0,1,0,0|1,0,1]=4 21426 B13R1.2848 CCOC(=O)CC(C)N1CCC1C 269982a_100000755817_100009817359 [0,1,0,1,0,0|1,0,0]=3 21427 B13R1.2848 CCOC(=O)OC(C)N1CCC1C 269982a_100000755817_100000036008 [0,1,0,1,0,0|2,0,0]=4 21428 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000210395_200012276598 [0,1,0,1,0,0|1,0,1]=4 21429 B13R1.2969 CCCCCC(=O)CC(=O)C1CC1 1458a_100000212188_100000746382 [0,1,0,1,0,0|1,0,1]=4 21430 B13R1.2969 CCCCCC(C)NC(=O)C1CC1 11a_100000211957_100000210395 [0,1,0,1,0,0|2,0,0]=4 21431 B13R1.2969 CCCCCC(C)NC(=O)C1CC1 1626a_100000211957_100000210395 [0,1,0,1,0,0|2,0,0]=4 21432 B13R1.2969 CCCCCC(C)NC(=O)C1CC1 240690a_100000211957_100000210395 [0,1,0,1,0,0|2,0,0]=4 21433 B13R1.2969 CCCCCC(C)NC(=O)C1CC1 527a_100000211957_100000210395 [0,1,0,1,0,0|2,0,0]=4 21434 B13R1.2969 CCCCCN(C)CC(=O)C1CC1 2230a_100000223495_100000746382 [0,1,0,1,0,0|2,0,0]=4 21435 B13R1.2969 CCCCCN(C)CC(=O)C1CC1 269982a_100000223495_100000746382 [0,1,0,1,0,0|2,0,0]=4 21436 B13R1.4034 CCOC(=O)CC1CC(C1)OCC 7a_100010742785_100000210202 [0,1,0,1,0,0|1,0,0]=3 21437 B13R1.4034 CCOC(=O)CC1CC(C1)OCF 7a_100010742785_100015361967 [0,1,0,1,0,0|2,0,0]=4 21438 B13R1.4034 CCOC(=O)CN1CC(C1)COC 2230a_100016993750_100000188475 [0,1,0,1,0,0|2,0,0]=4 21439 B13R1.4034 CCOC(=O)CN1CC(C1)COC 269982a_100016993750_100000188475 [0,1,0,1,0,0|2,0,0]=4 21440 B13R1.4034 CCOC(=O)CN1CC(C1)COC 34a_100016993750_100000188475 [0,1,0,1,0,0|2,0,0]=4 21441 B13R1.4034 CCOC(=O)CN1CC(C1)OCC 269982a_100000732654_100000188475 [0,1,0,1,0,0|2,0,0]=4 21442 B13R1.4034 CCOC(=O)CN1CC(C1)OCC 34a_100000732654_100000188475 [0,1,0,1,0,0|2,0,0]=4 21443 B13R1.4453 CCCC(=O)N1C(CCCC1C)C 11a_100000210447_100000211992 [0,1,0,1,0,0|2,0,0]=4 21444 B13R1.4453 CCCC(=O)N1C(CCCC1C)C 240690a_100000210447_100000211992 [0,1,0,1,0,0|2,0,0]=4 21445 B13R1.4453 CCNC(=O)N1C(CCCC1C)C 2708a_100015525214_100000210447 [0,1,0,1,0,0|2,0,0]=4 21446 B13R1.4453 CCNC(=O)N1C(CCCC1C)C 273464a_100015525214_100000210447 [0,1,0,1,0,0|2,0,0]=4 21447 B13R1.15 CCC(C)CNC1CCNC(=O)C1 2230a_100016994916_100000748023 [0,1,0,1,0,0|2,0,0]=4 21448 B13R1.15 CCC(C)CNC1CCNC(=O)C1 34a_100016994916_100000748023 [0,1,0,1,0,0|2,0,0]=4 21449 B13R1.15 CCC(C)COC1CCCC(=O)C1 34a_100012613340_100000748023 [0,1,0,1,0,0|2,0,0]=4 21450 B13R1.15 CCC(C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100000748023 [0,1,0,1,0,0|2,0,0]=4 21451 B13R1.15 CCC(C)OCC1CCNC(=O)C1 34a_100009886756_100011215416 [0,1,0,1,0,0|2,0,0]=4 21452 B13R1.15 CCC(O)CNC1CCNC(=O)C1 2230a_100016994916_100011218378 [0,1,0,1,0,0|2,0,0]=4 21453 B13R1.15 CCC(O)CNC1CCNC(=O)C1 34a_100016994916_100011218378 [0,1,0,1,0,0|2,0,0]=4 21454 B13R1.15 CCC(O)COC1CCCC(=O)C1 34a_100012613340_100011218378 [0,1,0,1,0,0|2,0,0]=4 21455 B13R1.15 CCC(O)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218378 [0,1,0,1,0,0|2,0,0]=4 21456 B13R1.15 CC[C@H](C)CNC1CCNC(=O)C1 2230a_100016994916_100009816398 [0,1,0,1,0,0|2,0,0]=4 21457 B13R1.15 CC[C@H](C)CNC1CCNC(=O)C1 34a_100016994916_100009816398 [0,1,0,1,0,0|2,0,0]=4 21458 B13R1.15 CC[C@H](C)COC1CCCC(=O)C1 34a_100012613340_100009816398 [0,1,0,1,0,0|2,0,0]=4 21459 B13R1.15 CC[C@H](C)CO[C@@H]1CCNC(=O)C1 34a_100015189427_100009816398 [0,1,0,1,0,0|2,0,0]=4 21460 B13R1.19 C=C1CCN(CC1)CC(=O)OCC 2230a_100000752442_100000188475 [0,1,0,1,0,0|1,0,1]=4 21461 B13R1.19 C=C1CCN(CC1)CC(=O)OCC 269982a_100000752442_100000188475 [0,1,0,1,0,0|1,0,1]=4 21462 B13R1.19 C=C1CCN(CC1)CC(=O)OCC 34a_100000752442_100000188475 [0,1,0,1,0,0|1,0,1]=4 21463 B13R1.19 CC1CCC(CC1)CC(=O)CCF 1458a_100011215564_100011217306 [0,1,0,1,0,0|2,0,0]=4 21464 B13R1.19 CC1CCC(CC1)CC(=O)CCO 1458a_100011215564_100000211926 [0,1,0,1,0,0|2,0,0]=4 21465 B13R1.19 CCCC(=O)CC1CCC(CC1)C 1458a_100011215564_100000210303 [0,1,0,1,0,0|1,0,0]=3 21466 B13R1.19 CCCC(=O)CC1CCC(CC1)O 1458a_100012184027_100000210303 [0,1,0,1,0,0|1,0,0]=3 21467 B13R1.19 CCCC(=O)CC1CCN(CC1)C 1458a_100000700355_100000210303 [0,1,0,1,0,0|2,0,0]=4 21468 B13R1.19 CCCC(=O)CN1CCC(CC1)C 1458a_100000238061_100000210303 [0,1,0,1,0,0|2,0,0]=4 21469 B13R1.19 CCCC(=O)CN1CCC(CC1)C 2230a_100000188429_100000747444 [0,1,0,1,0,0|2,0,0]=4 21470 B13R1.19 CCCC(=O)CN1CCC(CC1)C 269982a_100000188429_100000747444 [0,1,0,1,0,0|2,0,0]=4 21471 B13R1.19 CCCC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747444 [0,1,0,1,0,0|2,0,0]=4 21472 B13R1.19 CCCC(=O)CN1CCC(CC1)F 269982a_100015193889_100000747444 [0,1,0,1,0,0|2,0,0]=4 21473 B13R1.19 CCCC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747444 [0,1,0,1,0,0|2,0,0]=4 21474 B13R1.19 CCCC(=O)CN1CCC(CC1)O 269982a_100025773856_100000747444 [0,1,0,1,0,0|2,0,0]=4 21475 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100000211992 [0,1,0,1,0,0|2,0,0]=4 21476 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100000211992 [0,1,0,1,0,0|2,0,0]=4 21477 B13R1.19 CCCC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100000211992 [0,1,0,1,0,0|2,0,0]=4 21478 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100000211992 [0,1,0,1,0,0|2,0,0]=4 21479 B13R1.19 CCCC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100000211992 [0,1,0,1,0,0|2,0,0]=4 21480 B13R1.19 CCNC(=O)CC1CCC(CC1)C 11a_100015525214_100011215564 [0,1,0,1,0,0|1,0,0]=3 21481 B13R1.19 CCNC(=O)CC1CCC(CC1)C 240690a_100015525214_100011215564 [0,1,0,1,0,0|1,0,0]=3 21482 B13R1.19 CCNC(=O)CC1CCC(CC1)C 527a_100015525214_100011215564 [0,1,0,1,0,0|1,0,0]=3 21483 B13R1.19 CCNC(=O)CC1CCC(CC1)O 240690a_100015525214_100012184027 [0,1,0,1,0,0|1,0,0]=3 21484 B13R1.19 CCNC(=O)CC1CCC(CC1)O 527a_100015525214_100012184027 [0,1,0,1,0,0|1,0,0]=3 21485 B13R1.19 CCNC(=O)CC1CCN(CC1)C 11a_100015525214_100000700355 [0,1,0,1,0,0|2,0,0]=4 21486 B13R1.19 CCNC(=O)CC1CCN(CC1)C 240690a_100015525214_100000700355 [0,1,0,1,0,0|2,0,0]=4 21487 B13R1.19 CCNC(=O)CN1CCC(CC1)C 11a_100015525214_100000238061 [0,1,0,1,0,0|2,0,0]=4 21488 B13R1.19 CCNC(=O)CN1CCC(CC1)C 2230a_100000188429_100000183381 [0,1,0,1,0,0|2,0,0]=4 21489 B13R1.19 CCNC(=O)CN1CCC(CC1)C 240690a_100015525214_100000238061 [0,1,0,1,0,0|2,0,0]=4 21490 B13R1.19 CCNC(=O)CN1CCC(CC1)C 269982a_100000188429_100000183381 [0,1,0,1,0,0|2,0,0]=4 21491 B13R1.19 CCNC(=O)CN1CCC(CC1)C 34a_100000188429_100000183381 [0,1,0,1,0,0|2,0,0]=4 21492 B13R1.19 CCNC(=O)CN1CCC(CC1)C 527a_100015525214_100000238061 [0,1,0,1,0,0|2,0,0]=4 21493 B13R1.19 CCNC(=O)CN1CCC(CC1)F 2230a_100015193889_100000183381 [0,1,0,1,0,0|2,0,0]=4 21494 B13R1.19 CCNC(=O)CN1CCC(CC1)F 269982a_100015193889_100000183381 [0,1,0,1,0,0|2,0,0]=4 21495 B13R1.19 CCNC(=O)CN1CCC(CC1)F 34a_100015193889_100000183381 [0,1,0,1,0,0|2,0,0]=4 21496 B13R1.19 CCNC(=O)CN1CCC(CC1)O 2230a_100025773856_100000183381 [0,1,0,1,0,0|2,0,0]=4 21497 B13R1.19 CCNC(=O)CN1CCC(CC1)O 269982a_100025773856_100000183381 [0,1,0,1,0,0|2,0,0]=4 21498 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100015525214_100020625639 [0,1,0,1,0,0|2,0,0]=4 21499 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 2708a_100020625639_100015525214 [0,1,0,1,0,0|2,0,0]=4 21500 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100015525214_100020625639 [0,1,0,1,0,0|2,0,0]=4 21501 B13R1.19 CCNC(=O)N[C@H]1CC[C@@H](CC1)C 273464a_100020625639_100015525214 [0,1,0,1,0,0|2,0,0]=4 21502 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100015525214_100020628982 [0,1,0,1,0,0|2,0,0]=4 21503 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 2708a_100020628982_100015525214 [0,1,0,1,0,0|2,0,0]=4 21504 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100015525214_100020628982 [0,1,0,1,0,0|2,0,0]=4 21505 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 273464a_100020628982_100015525214 [0,1,0,1,0,0|2,0,0]=4 21506 B13R1.19 CCNC(=O)N[C@H]1CC[C@H](CC1)O 512a_100015525214_100020628982 [0,1,0,1,0,0|2,0,0]=4 21507 B13R1.19 CCOC(=O)CC1CCN(CC1)C 2230a_100015189868_200000210301 [0,1,0,1,0,0|1,0,0]=3 21508 B13R1.19 CCOC(=O)CC1CCN(CC1)C 269982a_100015189868_200000210301 [0,1,0,1,0,0|1,0,0]=3 21509 B13R1.19 CCOC(=O)CC1CCN(CC1)[13CH3] 2230a_100015189868_200025704644 [0,1,0,1,0,0|1,0,0]=3 21510 B13R1.19 CCOC(=O)CC1CCN(CC1)[13CH3] 269982a_100015189868_200025704644 [0,1,0,1,0,0|1,0,0]=3 21511 B13R1.19 CCOC(=O)CN1CCC(CC1)C 2230a_100000188429_100000188475 [0,1,0,1,0,0|1,0,0]=3 21512 B13R1.19 CCOC(=O)CN1CCC(CC1)C 269982a_100000188429_100000188475 [0,1,0,1,0,0|1,0,0]=3 21513 B13R1.19 CCOC(=O)CN1CCC(CC1)C 34a_100000188429_100000188475 [0,1,0,1,0,0|1,0,0]=3 21514 B13R1.19 CCOC(=O)CN1CCC(CC1)F 2230a_100015193889_100000188475 [0,1,0,1,0,0|1,0,0]=3 21515 B13R1.19 CCOC(=O)CN1CCC(CC1)F 269982a_100015193889_100000188475 [0,1,0,1,0,0|1,0,0]=3 21516 B13R1.19 CCOC(=O)CN1CCC(CC1)F 34a_100015193889_100000188475 [0,1,0,1,0,0|1,0,0]=3 21517 B13R1.19 CCOC(=O)CN1CCC(CC1)O 2230a_100025773856_100000188475 [0,1,0,1,0,0|1,0,0]=3 21518 B13R1.19 CCOC(=O)CN1CCC(CC1)O 269982a_100025773856_100000188475 [0,1,0,1,0,0|1,0,0]=3 21519 B13R1.19 CCOC(=O)CN1CCN(CC1)C 2230a_100000188432_100000188475 [0,1,0,1,0,0|2,0,0]=4 21520 B13R1.19 CCOC(=O)CN1CCN(CC1)C 2230a_100000234358_200000210301 [0,1,0,1,0,0|2,0,0]=4 21521 B13R1.19 CCOC(=O)CN1CCN(CC1)C 269982a_100000188432_100000188475 [0,1,0,1,0,0|2,0,0]=4 21522 B13R1.19 CCOC(=O)CN1CCN(CC1)C 269982a_100000234358_200000210301 [0,1,0,1,0,0|2,0,0]=4 21523 B13R1.19 CCOC(=O)CN1CCN(CC1)[13CH3] 2230a_100000234358_200025704644 [0,1,0,1,0,0|2,0,0]=4 21524 B13R1.19 CCOC(=O)CN1CCN(CC1)[13CH3] 269982a_100000234358_200025704644 [0,1,0,1,0,0|2,0,0]=4 21525 B13R1.19 CCOC(=O)CN1CCS(=O)CC1 2230a_100000752083_100000188475 [0,1,0,1,0,0|2,0,0]=4 21526 B13R1.19 CCOC(=O)CN1CCS(=O)CC1 269982a_100000752083_100000188475 [0,1,0,1,0,0|2,0,0]=4 21527 B13R1.19 CCOC(=O)NC1CCN(CC1)C 2230a_100011206634_200000210301 [0,1,0,1,0,0|2,0,0]=4 21528 B13R1.19 CCOC(=O)NC1CCN(CC1)C 269982a_100011206634_200000210301 [0,1,0,1,0,0|2,0,0]=4 21529 B13R1.19 CCOC(=O)NC1CCN(CC1)[13CH3] 2230a_100011206634_200025704644 [0,1,0,1,0,0|2,0,0]=4 21530 B13R1.19 CCOC(=O)NC1CCN(CC1)[13CH3] 269982a_100011206634_200025704644 [0,1,0,1,0,0|2,0,0]=4 21531 B13R1.19 CNNC(=O)CC1CCC(CC1)C 22a_100016993582_100011215564 [0,1,0,1,0,0|2,0,0]=4 21532 B13R1.19 CNNC(=O)CC1CCC(CC1)O 22a_100016993582_100012184027 [0,1,0,1,0,0|2,0,0]=4 21533 B13R1.19 O=C(CCF)CC1CCC(CC1)O 1458a_100012184027_100011217306 [0,1,0,1,0,0|2,0,0]=4 21534 B13R1.19 O=C(CCO)CC1CCC(CC1)O 1458a_100012184027_100000211926 [0,1,0,1,0,0|2,0,0]=4 21535 B13R1.599 CC(CO)CCNC1CCOC1=O 2230a_106354213184_100000211211 [0,1,0,1,0,0|2,0,0]=4 21536 B13R1.599 CC(CO)CCNC1CCOC1=O 34a_106354213184_100000211211 [0,1,0,1,0,0|2,0,0]=4 21537 B13R1.599 CCC(C)CCNC1CCCC1=O 2230a_100020591266_100000211823 [0,1,0,1,0,0|2,0,0]=4 21538 B13R1.599 CCC(C)CCNC1CCOC1=O 2230a_100020591266_100000211211 [0,1,0,1,0,0|1,0,0]=3 21539 B13R1.599 CCC(C)CCOC1CCCC1=O 7a_100011215188_100000211823 [0,1,0,1,0,0|2,0,0]=4 21540 B13R1.599 CCC(C)CCOC1CCOC1=O 7a_100011215188_100000211211 [0,1,0,1,0,0|1,0,0]=3 21541 B13R1.599 CCC(C)COCC1CCNC1=O 34a_100000133458_100000748023 [0,1,0,1,0,0|2,0,0]=4 21542 B13R1.599 CCC(O)COCC1CCNC1=O 34a_100000133458_100011218378 [0,1,0,1,0,0|2,0,0]=4 21543 B13R1.599 CC[C@H](C)COCC1CCNC1=O 34a_100000133458_100009816398 [0,1,0,1,0,0|2,0,0]=4 21544 B13R1.599 COC(C)CCOC1CCOC1=O 7a_100000764861_100000211211 [0,1,0,1,0,0|2,0,0]=4 21545 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 11a_100025706717_100000211992 [0,1,0,1,0,0|2,0,0]=4 21546 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 1626a_100025706717_100000211992 [0,1,0,1,0,0|2,0,0]=4 21547 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 240690a_100025706717_100000211992 [0,1,0,1,0,0|2,0,0]=4 21548 B13R1.1463 CCCC(=O)N1CCCC(CC1)C 527a_100025706717_100000211992 [0,1,0,1,0,0|2,0,0]=4 21549 B13R1.1463 CCCC(=O)N1CCCC(CC1)O 240690a_100015186869_100000211992 [0,1,0,1,0,0|2,0,0]=4 21550 B13R1.1463 CCCC(=O)N1CCCC(CC1)O 527a_100015186869_100000211992 [0,1,0,1,0,0|2,0,0]=4 21551 B13R1.1463 CCCC(C)N1CCNC(=O)CC1 2230a_100000698595_100000766640 [0,1,0,1,0,0|2,0,0]=4 21552 B13R1.1463 CCCC(C)N1CCNC(=O)CC1 269982a_100000698595_100000766640 [0,1,0,1,0,0|2,0,0]=4 21553 B13R1.1463 CCCC(C)N1CCNC(=O)CC1 270004a_100000698595_100000211909 [0,1,0,1,0,0|2,0,0]=4 21554 B13R1.1463 CCNC(=O)N1CCCC(CC1)C 2708a_100015525214_100025706717 [0,1,0,1,0,0|2,0,0]=4 21555 B13R1.1463 CCNC(=O)N1CCCC(CC1)C 273464a_100015525214_100025706717 [0,1,0,1,0,0|2,0,0]=4 21556 B13R1.1463 CCNC(=O)N1CCCC(CC1)O 2708a_100015525214_100015186869 [0,1,0,1,0,0|2,0,0]=4 21557 B13R1.1463 CCNC(=O)N1CCCC(CC1)O 273464a_100015525214_100015186869 [0,1,0,1,0,0|2,0,0]=4 21558 B13R1.1463 CCOC(=O)N1CCCN(CC1)C 2230a_100000748262_200000210301 [0,1,0,1,0,0|2,0,0]=4 21559 B13R1.1463 CCOC(=O)N1CCCN(CC1)C 269982a_100000748262_200000210301 [0,1,0,1,0,0|2,0,0]=4 21560 B13R1.1463 CCOC(=O)N1CCCN(CC1)[13CH3] 2230a_100000748262_200025704644 [0,1,0,1,0,0|2,0,0]=4 21561 B13R1.1463 CCOC(=O)N1CCCN(CC1)[13CH3] 269982a_100000748262_200025704644 [0,1,0,1,0,0|2,0,0]=4 21562 B13R1.1484 CCNC(=O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000737597 [0,1,0,1,0,0|2,0,0]=4 21563 B13R1.1484 CCNC(=O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000737597 [0,1,0,1,0,0|2,0,0]=4 21564 B13R1.1484 CCOC(=O)CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011206558 [0,1,0,1,0,0|1,0,0]=3 21565 B13R1.1484 CCOC(=O)CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011206558 [0,1,0,1,0,0|1,0,0]=3 21566 B13R1.1493 CCNC(=O)CCNCC1(CC1)C 2230a_100000766693_100000737597 [0,1,0,1,0,0|2,0,0]=4 21567 B13R1.1493 CCNC(=O)CCNCC1(CC1)O 2230a_100011936951_100000737597 [0,1,0,1,0,0|2,0,0]=4 21568 B13R1.1493 CCNC(=O)CCOCC1(CC1)C 7a_100000698024_100000737597 [0,1,0,1,0,0|2,0,0]=4 21569 B13R1.1493 CCNC(=O)CCOCC1(CC1)F 7a_200000703853_100000737597 [0,1,0,1,0,0|2,0,0]=4 21570 B13R1.1493 CCOC(=O)CCCNC1(CC1)C 2230a_100000757604_100009991533 [0,1,0,1,0,0|1,0,0]=3 21571 B13R1.1493 CCOC(=O)CCCOC1(CC1)C 7a_100011725673_100011215271 [0,1,0,1,0,0|1,0,0]=3 21572 B13R1.1493 CCOC(=O)CCNCC1(CC1)C 2230a_100000766693_100011206558 [0,1,0,1,0,0|1,0,0]=3 21573 B13R1.1493 CCOC(=O)CCNCC1(CC1)O 2230a_100011936951_100011206558 [0,1,0,1,0,0|1,0,0]=3 21574 B13R1.1493 CCOC(=O)CCOCC1(CC1)C 7a_100000698024_100011206558 [0,1,0,1,0,0|1,0,0]=3 21575 B13R1.1493 CCOC(=O)CCOCC1(CC1)F 34a_200000703853_100000765890 [0,1,0,1,0,0|1,0,0]=3 21576 B13R1.1493 CCOC(=O)CCOCC1(CC1)F 7a_200000703853_100011206558 [0,1,0,1,0,0|1,0,0]=3 21577 B13R1.1493 CCOC(=O)CCSCC1(CO1)C 62a_100000760498_100000765890 [0,1,0,1,0,0|2,0,0]=4 21578 B13R1.1493 CCOC(=O)CCSCC1(CO1)C 62a_100000765890_100000760498 [0,1,0,1,0,0|2,0,0]=4 21579 B13R1.1493 CCOC(=O)NCCOC1(CC1)C 7a_100011725673_200011445536 [0,1,0,1,0,0|2,0,0]=4 21580 B13R1.1734 CCC(C)CCNCC(=O)C1CC1 2230a_100020591266_100000746382 [0,1,0,1,0,0|2,0,0]=4 21581 B13R1.1734 CCC(C)CCOCC(=O)C1CC1 7a_100011215188_100000746382 [0,1,0,1,0,0|2,0,0]=4 21582 B13R1.1869 CCC(C)CN1CCNC(=O)CC1 2230a_100000698595_100000748023 [0,1,0,1,0,0|2,0,0]=4 21583 B13R1.1869 CCC(C)CN1CCNC(=O)CC1 269982a_100000698595_100000748023 [0,1,0,1,0,0|2,0,0]=4 21584 B13R1.1869 CCC(C)CN1CCNC(=O)CC1 270004a_100000698595_100000243153 [0,1,0,1,0,0|2,0,0]=4 21585 B13R1.1869 CCC(O)CN1CCNC(=O)CC1 2230a_100000698595_100011218378 [0,1,0,1,0,0|2,0,0]=4 21586 B13R1.1869 CCC(O)CN1CCNC(=O)CC1 269982a_100000698595_100011218378 [0,1,0,1,0,0|2,0,0]=4 21587 B13R1.1869 CC[C@H](C)CN1CCNC(=O)CC1 2230a_100000698595_100009816398 [0,1,0,1,0,0|2,0,0]=4 21588 B13R1.1869 CC[C@H](C)CN1CCNC(=O)CC1 269982a_100000698595_100009816398 [0,1,0,1,0,0|2,0,0]=4 21589 B13R1.149 CC(C)CCCN1CCNC(=O)C1 2230a_100000184651_100011214892 [0,1,0,1,0,0|2,0,0]=4 21590 B13R1.149 CC(C)CCCN1CCOC(=O)C1 2230a_100000131268_100011214892 [0,1,0,1,0,0|1,0,0]=3 21591 B13R1.149 CC(C)CCNC1CCNC(=O)C1 2230a_100016994916_100000210312 [0,1,0,1,0,0|2,0,0]=4 21592 B13R1.149 CC(C)CCNC1CCNC(=O)C1 269862a_100016994916_100000185833 [0,1,0,1,0,0|2,0,0]=4 21593 B13R1.149 CC(C)CCNC1CCNC(=O)C1 34a_100016994916_100000210312 [0,1,0,1,0,0|2,0,0]=4 21594 B13R1.149 CC(C)CCOC1CCCC(=O)C1 34a_100012613340_100000210312 [0,1,0,1,0,0|2,0,0]=4 21595 B13R1.149 CC(C)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210312 [0,1,0,1,0,0|2,0,0]=4 21596 B13R1.149 CC(C)COCC1CCNC(=O)C1 34a_100009886756_100000210624 [0,1,0,1,0,0|2,0,0]=4 21597 B13R1.149 CC(C)OCCN1CCOC(=O)C1 2230a_100000131268_100000211751 [0,1,0,1,0,0|2,0,0]=4 21598 B13R1.149 CC(C)SCCN1CCOC(=O)C1 2230a_100000131268_100000730970 [0,1,0,1,0,0|2,0,0]=4 21599 B13R1.149 CC(O)CCCN1CCNC(=O)C1 2230a_100000184651_200000718107 [0,1,0,1,0,0|2,0,0]=4 21600 B13R1.149 CC(O)CCCN1CCOC(=O)C1 2230a_100000131268_200000718107 [0,1,0,1,0,0|1,0,0]=3 21601 B13R1.149 CC(O)CCNC1CCNC(=O)C1 2230a_100016994916_100012276601 [0,1,0,1,0,0|2,0,0]=4 21602 B13R1.149 CC(O)CCNC1CCNC(=O)C1 34a_100016994916_100012276601 [0,1,0,1,0,0|2,0,0]=4 21603 B13R1.149 CC(O)CCOC1CCCC(=O)C1 34a_100012613340_100012276601 [0,1,0,1,0,0|2,0,0]=4 21604 B13R1.149 CC(O)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012276601 [0,1,0,1,0,0|2,0,0]=4 21605 B13R1.149 CC(O)COCC1CCNC(=O)C1 34a_100009886756_100011218427 [0,1,0,1,0,0|2,0,0]=4 21606 B13R1.149 C[C@@H](O)COCC1CCNC(=O)C1 34a_100009886756_100009817552 [0,1,0,1,0,0|2,0,0]=4 21607 B13R1.167 CC(=O)CCCOC1CCOC1=O 34a_100000759063_100000211211 [0,1,0,1,0,0|1,0,1]=4 21608 B13R1.167 CC(=O)CCCOC1CCOC1=O 7a_100000759063_100000211211 [0,1,0,1,0,0|1,0,1]=4 21609 B13R1.167 CC(=O)CCCSC1CCOC1=O 62a_100000211211_100011215641 [0,1,0,1,0,0|1,0,1]=4 21610 B13R1.167 CC(=O)CCCSC1CCOC1=O 62a_100011215641_100000211211 [0,1,0,1,0,0|1,0,1]=4 21611 B13R1.167 CC(C)CCCNC1CCCC1=O 2230a_200000737386_100000211823 [0,1,0,1,0,0|2,0,0]=4 21612 B13R1.167 CC(C)CCCNC1CCCC1=O 34a_200000737386_100000709159 [0,1,0,1,0,0|2,0,0]=4 21613 B13R1.167 CC(C)CCCNC1CCNC1=O 2230a_100016995588_100011214892 [0,1,0,1,0,0|2,0,0]=4 21614 B13R1.167 CC(C)CCCNC1CCNC1=O 34a_100016995588_100011214892 [0,1,0,1,0,0|2,0,0]=4 21615 B13R1.167 CC(C)CCCNC1CCOC1=O 2230a_200000737386_100000211211 [0,1,0,1,0,0|1,0,0]=3 21616 B13R1.167 CC(C)CCCNC1CCOC1=O 34a_200000737386_100000211211 [0,1,0,1,0,0|1,0,0]=3 21617 B13R1.167 CC(C)CCCOC1CCCC1=O 34a_100000210774_100000709159 [0,1,0,1,0,0|2,0,0]=4 21618 B13R1.167 CC(C)CCCOC1CCCC1=O 34a_200000719330_100011214892 [0,1,0,1,0,0|2,0,0]=4 21619 B13R1.167 CC(C)CCCOC1CCCC1=O 7a_100000210774_100000211823 [0,1,0,1,0,0|2,0,0]=4 21620 B13R1.167 CC(C)CCCOC1CCOC1=O 34a_100000210774_100000211211 [0,1,0,1,0,0|1,0,0]=3 21621 B13R1.167 CC(C)CCCOC1CCOC1=O 7a_100000210774_100000211211 [0,1,0,1,0,0|1,0,0]=3 21622 B13R1.167 CC(C)CCCO[C@H]1CCNC1=O 34a_100000688343_100011214892 [0,1,0,1,0,0|2,0,0]=4 21623 B13R1.167 CC(C)CCCSC1CCCC1=O 62a_100000211823_100011214892 [0,1,0,1,0,0|2,0,0]=4 21624 B13R1.167 CC(C)CCCSC1CCCC1=O 62a_100011214892_100000211823 [0,1,0,1,0,0|2,0,0]=4 21625 B13R1.167 CC(C)CCCSC1CCOC1=O 62a_100000211211_100011214892 [0,1,0,1,0,0|1,0,0]=3 21626 B13R1.167 CC(C)CCCSC1CCOC1=O 62a_100011214892_100000211211 [0,1,0,1,0,0|1,0,0]=3 21627 B13R1.167 CC(C)CCOCC1CCNC1=O 34a_100000133458_100000210312 [0,1,0,1,0,0|2,0,0]=4 21628 B13R1.167 CC(C)NCCOC1CCOC1=O 34a_100000224655_100000211211 [0,1,0,1,0,0|2,0,0]=4 21629 B13R1.167 CC(C)OCCNC1CCOC1=O 2230a_100000701111_100000211211 [0,1,0,1,0,0|2,0,0]=4 21630 B13R1.167 CC(C)OCCNC1CCOC1=O 34a_100000701111_100000211211 [0,1,0,1,0,0|2,0,0]=4 21631 B13R1.167 CC(C)OCCOC1CCOC1=O 34a_100000211219_100000211211 [0,1,0,1,0,0|2,0,0]=4 21632 B13R1.167 CC(C)OCCOC1CCOC1=O 7a_100000211219_100000211211 [0,1,0,1,0,0|2,0,0]=4 21633 B13R1.167 CC(C)OCCSC1CCOC1=O 62a_100000211211_100000211751 [0,1,0,1,0,0|2,0,0]=4 21634 B13R1.167 CC(C)OCCSC1CCOC1=O 62a_100000211751_100000211211 [0,1,0,1,0,0|2,0,0]=4 21635 B13R1.167 CC(C)SCCNC1CCOC1=O 2230a_100000731138_100000211211 [0,1,0,1,0,0|2,0,0]=4 21636 B13R1.167 CC(C)SCCNC1CCOC1=O 34a_100000731138_100000211211 [0,1,0,1,0,0|2,0,0]=4 21637 B13R1.167 CC(C)SCCOC1CCOC1=O 34a_200011212901_100000211211 [0,1,0,1,0,0|2,0,0]=4 21638 B13R1.167 CC(C)SCCOC1CCOC1=O 7a_200011212901_100000211211 [0,1,0,1,0,0|2,0,0]=4 21639 B13R1.167 CC(C)SCCSC1CCOC1=O 62a_100000211211_100000730970 [0,1,0,1,0,0|2,0,0]=4 21640 B13R1.167 CC(C)SCCSC1CCOC1=O 62a_100000730970_100000211211 [0,1,0,1,0,0|2,0,0]=4 21641 B13R1.167 CC(O)CCCNC1CCNC1=O 2230a_100016995588_200000718107 [0,1,0,1,0,0|2,0,0]=4 21642 B13R1.167 CC(O)CCCNC1CCNC1=O 34a_100016995588_200000718107 [0,1,0,1,0,0|2,0,0]=4 21643 B13R1.167 CC(O)CCCOC1CCCC1=O 34a_200000719330_200000718107 [0,1,0,1,0,0|2,0,0]=4 21644 B13R1.167 CC(O)CCCO[C@H]1CCNC1=O 34a_100000688343_200000718107 [0,1,0,1,0,0|2,0,0]=4 21645 B13R1.167 CC(O)CCCSC1CCCC1=O 62a_100000211823_200000718107 [0,1,0,1,0,0|2,0,0]=4 21646 B13R1.167 CC(O)CCCSC1CCCC1=O 62a_200000718107_100000211823 [0,1,0,1,0,0|2,0,0]=4 21647 B13R1.167 CC(O)CCCSC1CCOC1=O 62a_100000211211_200000718107 [0,1,0,1,0,0|1,0,0]=3 21648 B13R1.167 CC(O)CCCSC1CCOC1=O 62a_200000718107_100000211211 [0,1,0,1,0,0|1,0,0]=3 21649 B13R1.167 CC(O)CCOCC1CCNC1=O 34a_100000133458_100012276601 [0,1,0,1,0,0|2,0,0]=4 21650 B13R1.167 CN(C)CCCSC1CCOC1=O 62a_100000211211_100000757444 [0,1,0,1,0,0|2,0,0]=4 21651 B13R1.167 CS(=O)CCCNC1CCOC1=O 2230a_200000753449_100000211211 [0,1,0,1,0,0|2,0,0]=4 21652 B13R1.462 C=C1CC(C1)CNCC(=O)OCC 2230a_100102567296_100000188475 [0,1,0,1,0,0|1,0,1]=4 21653 B13R1.462 C=C1CC(C1)CNCC(=O)OCC 34a_100102567296_100000188475 [0,1,0,1,0,0|1,0,1]=4 21654 B13R1.462 C=C1CC(C1)COCC(=O)OCC 34a_100011011225_100000188475 [0,1,0,1,0,0|1,0,1]=4 21655 B13R1.462 C=C1CC(C1)NCCC(=O)OCC 2230a_100132301982_100011206558 [0,1,0,1,0,0|1,0,1]=4 21656 B13R1.462 CCCC(=O)CNCC1CC(C1)O 2230a_100016992100_100000747444 [0,1,0,1,0,0|2,0,0]=4 21657 B13R1.462 CCNC(=O)CCNC1CC(C1)F 2230a_100016993743_100000737597 [0,1,0,1,0,0|2,0,0]=4 21658 B13R1.462 CCNC(=O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000737597 [0,1,0,1,0,0|2,0,0]=4 21659 B13R1.462 CCNC(=O)CNCC1CC(C1)O 2230a_100016992100_100000183381 [0,1,0,1,0,0|2,0,0]=4 21660 B13R1.462 CCNC(=O)COCC1CC(C1)Cl 34a_100009874164_100000183381 [0,1,0,1,0,0|2,0,0]=4 21661 B13R1.462 CCOC(=O)CCCN1CC(C1)C 2230a_100000702820_100009991533 [0,1,0,1,0,0|1,0,0]=3 21662 B13R1.462 CCOC(=O)CCCN1CC(C1)C 269982a_100000702820_100009991533 [0,1,0,1,0,0|1,0,0]=3 21663 B13R1.462 CCOC(=O)CCCN1CC(C1)C 34a_100000702820_100009991533 [0,1,0,1,0,0|1,0,0]=3 21664 B13R1.462 CCOC(=O)CCCN1CC(C1)F 2230a_100000690557_100009991533 [0,1,0,1,0,0|1,0,0]=3 21665 B13R1.462 CCOC(=O)CCCN1CC(C1)F 269982a_100000690557_100009991533 [0,1,0,1,0,0|1,0,0]=3 21666 B13R1.462 CCOC(=O)CCCN1CC(C1)F 34a_100000690557_100009991533 [0,1,0,1,0,0|1,0,0]=3 21667 B13R1.462 CCOC(=O)CCCN1CC(C1)O 269982a_100000749847_100009991533 [0,1,0,1,0,0|1,0,0]=3 21668 B13R1.462 CCOC(=O)CCNC1CC(C1)F 2230a_100016993743_100011206558 [0,1,0,1,0,0|1,0,0]=3 21669 B13R1.462 CCOC(=O)CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100011206558 [0,1,0,1,0,0|1,0,0]=3 21670 B13R1.462 CCOC(=O)CCSC1CC(=O)C1 62a_100009894365_100000765890 [0,1,0,1,0,0|1,0,1]=4 21671 B13R1.462 CCOC(=O)CNCC1CC(C1)O 2230a_100016992100_100000188475 [0,1,0,1,0,0|1,0,0]=3 21672 B13R1.462 CCOC(=O)COCC1CC(=O)C1 34a_100000101936_100000188475 [0,1,0,1,0,0|1,0,1]=4 21673 B13R1.462 CCOC(=O)COCC1CC(C1)Cl 34a_100009874164_100000188475 [0,1,0,1,0,0|1,0,0]=3 21674 B13R1.462 CCOC(=O)CSCC1CC(=O)C1 62a_100000188475_100009874392 [0,1,0,1,0,0|1,0,1]=4 21675 B13R1.462 CCOC(=O)CSCC1CC(=O)C1 62a_100009874392_100000188475 [0,1,0,1,0,0|1,0,1]=4 21676 B13R1.462 CCOC(=O)NCCN1CC(C1)C 269982a_100000702820_200011445536 [0,1,0,1,0,0|2,0,0]=4 21677 B13R1.462 CCOC(=O)NCCN1CC(C1)F 269982a_100000690557_200011445536 [0,1,0,1,0,0|2,0,0]=4 21678 B13R1.462 CCOC(=O)NCCN1CC(C1)O 269982a_100000749847_200011445536 [0,1,0,1,0,0|2,0,0]=4 21679 B13R1.467 CCCC(=O)N1CCCC1C(C)C 11a_100000762757_100000211992 [0,1,0,1,0,0|2,0,0]=4 21680 B13R1.467 CCCC(=O)N1CCCC1C(C)C 1626a_100000762757_100000211992 [0,1,0,1,0,0|2,0,0]=4 21681 B13R1.467 CCCC(=O)N1CCCC1C(C)C 240690a_100000762757_100000211992 [0,1,0,1,0,0|2,0,0]=4 21682 B13R1.467 CCCC(=O)N1CCCC1C(C)C 527a_100000762757_100000211992 [0,1,0,1,0,0|2,0,0]=4 21683 B13R1.467 CCCC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_100000210303 [0,1,0,1,0,0|2,0,0]=4 21684 B13R1.467 CCNC(=O)N1CCCC1C(C)C 2708a_100015525214_100000762757 [0,1,0,1,0,0|2,0,0]=4 21685 B13R1.467 CCNC(=O)N1CCCC1C(C)C 273464a_100015525214_100000762757 [0,1,0,1,0,0|2,0,0]=4 21686 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(C)C 2230a_100020641767_100000210206 [0,1,0,1,0,0|2,0,0]=4 21687 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(C)C 269982a_100020641767_100000210206 [0,1,0,1,0,0|2,0,0]=4 21688 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(C)C 34a_100020641767_100000210206 [0,1,0,1,0,0|2,0,0]=4 21689 B13R1.467 CCNC(=O)[C@H]1CCCN1C(C)C 240690a_100015525214_100009927065 [0,1,0,1,0,0|2,0,0]=4 21690 B13R1.467 CCNC(=O)[C@H]1CCCN1C(C)C 527a_100015525214_100009927065 [0,1,0,1,0,0|2,0,0]=4 21691 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C 11a_100000703725_100015343762 [0,1,0,1,0,0|1,0,1]=4 21692 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C 1626a_100000703725_100015343762 [0,1,0,1,0,0|1,0,1]=4 21693 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C 240690a_100000703725_100015343762 [0,1,0,1,0,0|1,0,1]=4 21694 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C 527a_100000703725_100103153847 [0,1,0,1,0,0|1,0,1]=4 21695 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(C)C 2230a_100000703725_100000210206 [0,1,0,1,0,0|1,0,0]=3 21696 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(C)C 269982a_100000703725_100000210206 [0,1,0,1,0,0|1,0,0]=3 21697 B13R1.467 CCOC(=O)[C@@H]1CSCN1C(C)C 269982a_100016989239_100000210206 [0,1,0,1,0,0|2,0,0]=4 21698 B13R1.692 CCCC(=O)CN1CCCC1(C)C 2230a_100000761399_100000747444 [0,1,0,1,0,0|2,0,0]=4 21699 B13R1.692 CCCC(=O)CN1CCCC1(C)C 269982a_100000761399_100000747444 [0,1,0,1,0,0|2,0,0]=4 21700 B13R1.692 CCCC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100000211992 [0,1,0,1,0,0|2,0,0]=4 21701 B13R1.692 CCCC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100000211992 [0,1,0,1,0,0|2,0,0]=4 21702 B13R1.692 CCCC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100000211992 [0,1,0,1,0,0|2,0,0]=4 21703 B13R1.692 CCCC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100000211992 [0,1,0,1,0,0|2,0,0]=4 21704 B13R1.692 CCNC(=O)CN1CCCC1(C)C 2230a_100000761399_100000183381 [0,1,0,1,0,0|2,0,0]=4 21705 B13R1.692 CCNC(=O)CN1CCCC1(C)C 269982a_100000761399_100000183381 [0,1,0,1,0,0|2,0,0]=4 21706 B13R1.692 CCNC(=O)CN1CCCC1(C)C 34a_100000761399_100000183381 [0,1,0,1,0,0|2,0,0]=4 21707 B13R1.692 CCNC(=O)N[C@@H]1CCC[C@@]1(C)O 2708a_100015525214_100015977457 [0,1,0,1,0,0|2,0,0]=4 21708 B13R1.692 CCNC(=O)N[C@@H]1CCC[C@@]1(C)O 273464a_100015525214_100015977457 [0,1,0,1,0,0|2,0,0]=4 21709 B13R1.692 CCNC(=O)N[C@@H]1CCC[C@@]1(C)O 512a_100015525214_100015977457 [0,1,0,1,0,0|2,0,0]=4 21710 B13R1.692 CCNC(=O)N[C@@H]1CCC[C@@]1(C)O 512a_100015977457_100015525214 [0,1,0,1,0,0|2,0,0]=4 21711 B13R1.692 CCOC(=O)CN1CCCC1(C)C 2230a_100000761399_100000188475 [0,1,0,1,0,0|1,0,0]=3 21712 B13R1.692 CCOC(=O)CN1CCCC1(C)C 269982a_100000761399_100000188475 [0,1,0,1,0,0|1,0,0]=3 21713 B13R1.692 CCOC(=O)CN1CCCC1(C)C 34a_100000761399_100000188475 [0,1,0,1,0,0|1,0,0]=3 21714 B13R1.692 CCOC(=O)CN1CCSC1(C)C 2230a_100011217261_100000188475 [0,1,0,1,0,0|2,0,0]=4 21715 B13R1.692 CCOC(=O)CN1CCSC1(C)C 269982a_100011217261_100000188475 [0,1,0,1,0,0|2,0,0]=4 21716 B13R1.692 CCOC(=O)CN1CCSC1(C)C 34a_100011217261_100000188475 [0,1,0,1,0,0|2,0,0]=4 21717 B13R1.692 CCOC(=O)CN1COCC1(C)C 2230a_100000043020_100000188475 [0,1,0,1,0,0|2,0,0]=4 21718 B13R1.692 CCOC(=O)CN1COCC1(C)C 269982a_100000043020_100000188475 [0,1,0,1,0,0|2,0,0]=4 21719 B13R1.1080 CC(C)CCCCCC(=O)C1CC1 1458a_100000210395_100000210682 [0,1,0,1,0,0|1,0,0]=3 21720 B13R1.1080 CC(C)CCCCCC(=O)C1CO1 1458a_100000701028_100000210682 [0,1,0,1,0,0|2,0,0]=4 21721 B13R1.1080 CC(C)CCCNCC(=O)C1CC1 2230a_200000737386_100000746382 [0,1,0,1,0,0|2,0,0]=4 21722 B13R1.1080 CC(C)CCCNCC(=O)C1CC1 34a_200000737386_100000746382 [0,1,0,1,0,0|2,0,0]=4 21723 B13R1.1080 CC(C)CCCOCC(=O)C1CC1 34a_100000210774_100000746382 [0,1,0,1,0,0|2,0,0]=4 21724 B13R1.1080 CC(C)CCCOCC(=O)C1CC1 34a_100000686663_100011214892 [0,1,0,1,0,0|2,0,0]=4 21725 B13R1.1080 CC(C)CCCOCC(=O)C1CC1 7a_100000210774_100000746382 [0,1,0,1,0,0|2,0,0]=4 21726 B13R1.1080 CC(C)CCCSCC(=O)C1CC1 62a_100000746382_100011214892 [0,1,0,1,0,0|2,0,0]=4 21727 B13R1.1080 CC(C)CCCSCC(=O)C1CC1 62a_100011214892_100000746382 [0,1,0,1,0,0|2,0,0]=4 21728 B13R1.1080 CC(O)CCCOCC(=O)C1CC1 34a_100000686663_200000718107 [0,1,0,1,0,0|2,0,0]=4 21729 B13R1.1080 CC(O)CCCSCC(=O)C1CC1 62a_100000746382_200000718107 [0,1,0,1,0,0|2,0,0]=4 21730 B13R1.1080 CC(O)CCCSCC(=O)C1CC1 62a_200000718107_100000746382 [0,1,0,1,0,0|2,0,0]=4 21731 B13R1.2553 CCCC(=O)COCC1CC1(C)C 7a_100000728257_100000747444 [0,1,0,1,0,0|2,0,0]=4 21732 B13R1.2553 CCNC(=O)COCC1CC1(C)C 34a_100000728257_100000183381 [0,1,0,1,0,0|2,0,0]=4 21733 B13R1.2553 CCNC(=O)COCC1CC1(C)C 7a_100000728257_100000183381 [0,1,0,1,0,0|2,0,0]=4 21734 B13R1.2553 CCOC(=O)CCNC1CC1(F)F 2230a_100020610826_100011206558 [0,1,0,1,0,0|2,0,0]=4 21735 B13R1.2553 CCOC(=O)CCNC1CC1(F)F 34a_100020610826_100000765890 [0,1,0,1,0,0|2,0,0]=4 21736 B13R1.2553 CCOC(=O)COCC1CC1(C)C 34a_100000728257_100000188475 [0,1,0,1,0,0|1,0,0]=3 21737 B13R1.2553 CCOC(=O)COCC1CC1(C)C 7a_100000728257_100000188475 [0,1,0,1,0,0|1,0,0]=3 21738 B13R1.2553 CCOC(=O)COCC1CC1(F)F 34a_100000056500_100000188475 [0,1,0,1,0,0|2,0,0]=4 21739 B13R1.2553 CCOC(=O)COCC1CC1(F)F 7a_100000056500_100000188475 [0,1,0,1,0,0|2,0,0]=4 21740 B13R1.2553 CCOC(=O)COCC1OC1(C)C 34a_200010283642_100000188475 [0,1,0,1,0,0|2,0,0]=4 21741 B13R1.2553 CCOC(=O)COCC1OC1(C)C 7a_200010283642_100000188475 [0,1,0,1,0,0|2,0,0]=4 21742 B13R1.2553 CCOC(=O)CSCC1CC1(F)F 62a_100000188475_100009817841 [0,1,0,1,0,0|2,0,0]=4 21743 B13R1.2553 CCOC(=O)CSCC1CC1(F)F 62a_100009817841_100000188475 [0,1,0,1,0,0|2,0,0]=4 21744 B13R1.3796 CC(C)CCN1CCNC(=O)CC1 2230a_100000698595_100000210312 [0,1,0,1,0,0|2,0,0]=4 21745 B13R1.3796 CC(C)CCN1CCNC(=O)CC1 269982a_100000698595_100000210312 [0,1,0,1,0,0|2,0,0]=4 21746 B13R1.3796 CC(O)CCN1CCNC(=O)CC1 2230a_100000698595_100012276601 [0,1,0,1,0,0|2,0,0]=4 21747 B13R1.3796 CC(O)CCN1CCNC(=O)CC1 269982a_100000698595_100012276601 [0,1,0,1,0,0|2,0,0]=4 21748 B13R1.1496 CCCC(=O)CNCC(O)C1CC1 2230a_100000751198_100000747444 [0,1,0,1,0,0|2,0,0]=4 21749 B13R1.1496 CCCC(C)COCC(=O)C1CC1 34a_100000686663_100011216630 [0,1,0,1,0,0|2,0,0]=4 21750 B13R1.1496 CCCC(C)COCC(=O)C1CC1 34a_100000688023_100000746382 [0,1,0,1,0,0|2,0,0]=4 21751 B13R1.1496 CCCC(C)COCC(=O)C1CC1 7a_100000688023_100000746382 [0,1,0,1,0,0|2,0,0]=4 21752 B13R1.1496 CCCC(C)CSCC(=O)C1CC1 62a_100000746382_100011216630 [0,1,0,1,0,0|2,0,0]=4 21753 B13R1.1496 CCCC(C)CSCC(=O)C1CC1 62a_100011216630_100000746382 [0,1,0,1,0,0|2,0,0]=4 21754 B13R1.1496 CCC[C@H](N)COCC(=O)C1CC1 34a_100000732646_100000746382 [0,1,0,1,0,0|2,0,0]=4 21755 B13R1.1496 CCNC(=O)CCNC(C)C1CC1 2230a_100000700016_100000737597 [0,1,0,1,0,0|2,0,0]=4 21756 B13R1.1496 CCNC(=O)CCNC(C)C1CC1 269862a_100025743525_100000210639 [0,1,0,1,0,0|2,0,0]=4 21757 B13R1.1496 CCNC(=O)CCOC(C)C1CC1 7a_100000744524_100000737597 [0,1,0,1,0,0|2,0,0]=4 21758 B13R1.1496 CCNC(=O)CNCC(O)C1CC1 2230a_100000751198_100000183381 [0,1,0,1,0,0|2,0,0]=4 21759 B13R1.1496 CCNC(=O)CNCC(O)C1CC1 34a_100000751198_100000183381 [0,1,0,1,0,0|2,0,0]=4 21760 B13R1.1496 CCNC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000183381 [0,1,0,1,0,0|2,0,0]=4 21761 B13R1.1496 CCOC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215271 [0,1,0,1,0,0|0,0,1]=3 21762 B13R1.1496 CCOC(=O)CCCC(=O)C1CO1 1458a_100000701028_100011215271 [0,1,0,1,0,0|1,0,1]=4 21763 B13R1.1496 CCOC(=O)CCCN(C)C1CC1 2230a_100000226674_100009991533 [0,1,0,1,0,0|1,0,0]=3 21764 B13R1.1496 CCOC(=O)CCCN(C)C1CC1 2230a_200000226769_200000210301 [0,1,0,1,0,0|1,0,0]=3 21765 B13R1.1496 CCOC(=O)CCCN(C)C1CC1 269982a_100000226674_100009991533 [0,1,0,1,0,0|1,0,0]=3 21766 B13R1.1496 CCOC(=O)CCCN([13CH3])C1CC1 2230a_200000226769_200025704644 [0,1,0,1,0,0|1,0,0]=3 21767 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 188690a_100000746078_100000210395 [0,1,0,1,0,0|1,0,1]=4 21768 B13R1.1496 CCOC(=O)CCNC(C)C1CC1 2230a_100000700016_100011206558 [0,1,0,1,0,0|1,0,0]=3 21769 B13R1.1496 CCOC(=O)CCNC(C)C1CC1 34a_100000700016_100000765890 [0,1,0,1,0,0|1,0,0]=3 21770 B13R1.1496 CCOC(=O)CCOC(C)C1CC1 34a_100000744524_100000765890 [0,1,0,1,0,0|1,0,0]=3 21771 B13R1.1496 CCOC(=O)CCOC(C)C1CC1 7a_100000744524_100011206558 [0,1,0,1,0,0|1,0,0]=3 21772 B13R1.1496 CCOC(=O)CNCC(O)C1CC1 2230a_100000751198_100000188475 [0,1,0,1,0,0|1,0,0]=3 21773 B13R1.1496 CCOC(=O)CNCC(O)C1CC1 34a_100000751198_100000188475 [0,1,0,1,0,0|1,0,0]=3 21774 B13R1.1496 CCOC(=O)COCC(=O)C1CC1 34a_100000686663_100000188475 [0,1,0,1,0,0|1,0,1]=4 21775 B13R1.1496 CCOC(=O)COC[C@H](N)C1CC1 34a_100020623730_100000188475 [0,1,0,1,0,0|1,0,0]=3 21776 B13R1.1496 CCOC(=O)CSCC(=O)C1CC1 62a_100000188475_100000746382 [0,1,0,1,0,0|1,0,1]=4 21777 B13R1.1496 CCOC(=O)CSCC(=O)C1CC1 62a_100000746382_100000188475 [0,1,0,1,0,0|1,0,1]=4 21778 B13R1.1496 CCOC(=O)NCCC(=O)C1CC1 1458a_100000210395_200011445536 [0,1,0,1,0,0|1,0,1]=4 21779 B13R1.1496 CCOC(=O)NCCN(C)C1CC1 269982a_100000226674_200011445536 [0,1,0,1,0,0|2,0,0]=4 21780 B13R1.1515 CCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210303 [0,1,0,1,0,0|0,0,1]=3 21781 B13R1.1515 CCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 11a_100015525214_100009818562 [0,1,0,1,0,0|1,0,1]=4 21782 B13R1.1515 CCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 240690a_100015525214_100009818562 [0,1,0,1,0,0|1,0,1]=4 21783 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCF 1458a_100009818562_100011217306 [0,1,0,1,0,0|1,0,1]=4 21784 B13R1.1515 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCO 1458a_100009818562_100000211926 [0,1,0,1,0,0|1,0,1]=4 21785 B13R1.2554 CCCC(=O)CNCC1(CCC1)C 2230a_100000706607_100000747444 [0,1,0,1,0,0|2,0,0]=4 21786 B13R1.2554 CCCC(=O)CNCC1(CCC1)O 2230a_100000752638_100000747444 [0,1,0,1,0,0|2,0,0]=4 21787 B13R1.2554 CCCC(=O)CSCC1(CCC1)C 62a_100000726658_100000747444 [0,1,0,1,0,0|2,0,0]=4 21788 B13R1.2554 CCCC(=O)CSCC1(CCC1)C 62a_100000747444_100000726658 [0,1,0,1,0,0|2,0,0]=4 21789 B13R1.2554 CCNC(=O)CCNC1(CCC1)C 2230a_100000692455_100000737597 [0,1,0,1,0,0|2,0,0]=4 21790 B13R1.2554 CCNC(=O)CCOC1(CCC1)C 7a_100000759064_100000737597 [0,1,0,1,0,0|2,0,0]=4 21791 B13R1.2554 CCNC(=O)CNCC1(CCC1)C 2230a_100000706607_100000183381 [0,1,0,1,0,0|2,0,0]=4 21792 B13R1.2554 CCNC(=O)CNCC1(CCC1)C 2230a_100016988866_100000726658 [0,1,0,1,0,0|2,0,0]=4 21793 B13R1.2554 CCNC(=O)CNCC1(CCC1)O 2230a_100000752638_100000183381 [0,1,0,1,0,0|2,0,0]=4 21794 B13R1.2554 CCNC(=O)CSCC1(CCC1)C 62a_100000183381_100000726658 [0,1,0,1,0,0|2,0,0]=4 21795 B13R1.2554 CCNC(=O)CSCC1(CCC1)C 62a_100000726658_100000183381 [0,1,0,1,0,0|2,0,0]=4 21796 B13R1.2554 CCOC(=O)CCNC1(CCC1)C 2230a_100000692455_100011206558 [0,1,0,1,0,0|1,0,0]=3 21797 B13R1.2554 CCOC(=O)CCNC1(CCC1)C 34a_100000692455_100000765890 [0,1,0,1,0,0|1,0,0]=3 21798 B13R1.2554 CCOC(=O)CCNC1(COC1)C 2230a_100000732644_100011206558 [0,1,0,1,0,0|2,0,0]=4 21799 B13R1.2554 CCOC(=O)CCOC1(CCC1)C 34a_100000759064_100000765890 [0,1,0,1,0,0|1,0,0]=3 21800 B13R1.2554 CCOC(=O)CCOC1(CCC1)C 7a_100000759064_100011206558 [0,1,0,1,0,0|1,0,0]=3 21801 B13R1.2554 CCOC(=O)CCOC1(CSC1)C 7a_100016018533_100011206558 [0,1,0,1,0,0|2,0,0]=4 21802 B13R1.2554 CCOC(=O)CNCC1(CCC1)C 2230a_100000706607_100000188475 [0,1,0,1,0,0|1,0,0]=3 21803 B13R1.2554 CCOC(=O)CNCC1(CCC1)O 2230a_100000752638_100000188475 [0,1,0,1,0,0|1,0,0]=3 21804 B13R1.2554 CCOC(=O)CNCC1(COC1)C 2230a_100020631278_100000188475 [0,1,0,1,0,0|2,0,0]=4 21805 B13R1.2554 CCOC(=O)CNCC1(COC1)O 2230a_100010264505_100000188475 [0,1,0,1,0,0|2,0,0]=4 21806 B13R1.2554 CCOC(=O)COCC1(CSC1)C 34a_100000732658_100000188475 [0,1,0,1,0,0|2,0,0]=4 21807 B13R1.2554 CCOC(=O)COCC1(CSC1)C 7a_100000732658_100000188475 [0,1,0,1,0,0|2,0,0]=4 21808 B13R1.2554 CCOC(=O)CSCC1(CCC1)C 62a_100000188475_100000726658 [0,1,0,1,0,0|1,0,0]=3 21809 B13R1.2554 CCOC(=O)CSCC1(CCC1)C 62a_100000726658_100000188475 [0,1,0,1,0,0|1,0,0]=3 21810 B13R1.2554 CCOC(=O)CSCC1(COC1)C 62a_100000188475_100009817586 [0,1,0,1,0,0|2,0,0]=4 21811 B13R1.2554 CCOC(=O)CSCC1(COC1)C 62a_100009817586_100000188475 [0,1,0,1,0,0|2,0,0]=4 21812 B13R2.13 O=C1CN(CCN1)C2CCCC2 2230a_100000184651_100000179811 [0,0,0,2,0,0|2,0,0]=4 21813 B13R2.13 O=C1CN(CCN1)C2CCCC2 270004a_100000184651_100000210133 [0,0,0,2,0,0|2,0,0]=4 21814 B13R2.13 O=C1CN(CCO1)C2CCCC2 2230a_100000131268_100000179811 [0,0,0,2,0,0|1,0,0]=3 21815 B13R2.13 O=C1CN(CCO1)C2CCCC2 270004a_100000131268_100000210133 [0,0,0,2,0,0|1,0,0]=3 21816 B13R2.13 O=C1CN(CCO1)C2CCOC2 2230a_100000131268_100000731011 [0,0,0,2,0,0|2,0,0]=4 21817 B13R2.13 O=C1CN(CCO1)C2CCOC2 270004a_100000131268_100000752484 [0,0,0,2,0,0|2,0,0]=4 21818 B13R2.13 O=C1CN(CCO1)C2CCSC2 270004a_100000131268_100000212027 [0,0,0,2,0,0|2,0,0]=4 21819 B13R2.3021 O=C1CC(CCN1)NC2CCC2 34a_100016994916_100000749161 [0,0,0,2,0,0|2,0,0]=4 21820 B13R2.3021 O=C1CCCC(C1)OC2CCC2 34a_100012613340_100000749161 [0,0,0,2,0,0|2,0,0]=4 21821 B13R2.3021 O=C1CN(CCN1)CC2CCC2 2230a_100000184651_100000763275 [0,0,0,2,0,0|2,0,0]=4 21822 B13R2.3021 O=C1CN(CCO1)CC2CCC2 2230a_100000131268_100000763275 [0,0,0,2,0,0|1,0,0]=3 21823 B13R2.3021 O=C1CN(CCO1)CC2CCO2 2230a_100000131268_100000103362 [0,0,0,2,0,0|2,0,0]=4 21824 B13R2.3021 O=C1CN(CCO1)CC2COC2 2230a_100000131268_100010264016 [0,0,0,2,0,0|2,0,0]=4 21825 B13R2.3021 O=C1C[C@@H](CCN1)OC2CCC2 34a_100015189427_100000749161 [0,0,0,2,0,0|2,0,0]=4 21826 B13R2.5331 O=C1CC(CCN1)COC2CC2 34a_100009886756_100000211595 [0,0,0,2,0,0|2,0,0]=4 21827 B13R2.5331 O=C1CC(CCN1)NCC2CC2 2230a_100016994916_100000742324 [0,0,0,2,0,0|2,0,0]=4 21828 B13R2.5331 O=C1CC(CCN1)NCC2CC2 269862a_100016994916_100000741477 [0,0,0,2,0,0|2,0,0]=4 21829 B13R2.5331 O=C1CC(CCN1)NCC2CC2 34a_100016994916_100000742324 [0,0,0,2,0,0|2,0,0]=4 21830 B13R2.5331 O=C1CCCC(C1)OCC2CC2 34a_100012613340_100000742324 [0,0,0,2,0,0|2,0,0]=4 21831 B13R2.5331 O=C1CN(CCN1)CCC2CC2 2230a_100000184651_100000694398 [0,0,0,2,0,0|2,0,0]=4 21832 B13R2.5331 O=C1CN(CCO1)CCC2CC2 2230a_100000131268_100000694398 [0,0,0,2,0,0|1,0,0]=3 21833 B13R2.5331 O=C1CN(CCO1)CCC2CO2 2230a_100000131268_100000732470 [0,0,0,2,0,0|2,0,0]=4 21834 B13R2.5331 O=C1C[C@@H](CCN1)OCC2CC2 34a_100015189427_100000742324 [0,0,0,2,0,0|2,0,0]=4 21835 B13R2.15 O=C1OCCC1N2CCCOC2 2230a_100000131196_100000211211 [0,0,0,2,0,0|2,0,0]=4 21836 B13R2.15 O=C1OCCC1N2CCCOC2 269982a_100000131196_100000211211 [0,0,0,2,0,0|2,0,0]=4 21837 B13R2.15 O=C1OCCC1N2CCCOC2 34a_100000131196_100000211211 [0,0,0,2,0,0|2,0,0]=4 21838 B13R2.15 O=C1OCCC1N2CCOCC2 2230a_100015191051_100000211211 [0,0,0,2,0,0|2,0,0]=4 21839 B13R2.15 O=C1OCCC1N2CCOCC2 269982a_100015191051_100000211211 [0,0,0,2,0,0|2,0,0]=4 21840 B13R2.15 O=C1OCCC1N2CCOCC2 34a_100015191051_100000211211 [0,0,0,2,0,0|2,0,0]=4 21841 B13R2.15 O=C1OCCC1N2CCSCC2 2230a_100000737611_100000211211 [0,0,0,2,0,0|2,0,0]=4 21842 B13R2.15 O=C1OCCC1N2CCSCC2 269982a_100000737611_100000211211 [0,0,0,2,0,0|2,0,0]=4 21843 B13R2.444 O=C(CC1CCCCC1)C2CC2 1458a_100000210395_100000211423 [0,0,0,2,0,0|1,0,0]=3 21844 B13R2.444 O=C(CC1CCCCC1)C2CO2 1458a_100000701028_100000211423 [0,0,0,2,0,0|2,0,0]=4 21845 B13R2.444 O=C(CC1CCCCO1)C2CC2 1458a_100000210395_100000211543 [0,0,0,2,0,0|2,0,0]=4 21846 B13R2.444 O=C(CC1CCCOC1)C2CC2 1458a_100000210395_100000741521 [0,0,0,2,0,0|2,0,0]=4 21847 B13R2.444 O=C(CC1CCOCC1)C2CC2 1458a_100000210395_100000754603 [0,0,0,2,0,0|2,0,0]=4 21848 B13R2.444 O=C(NC1CCCCC1)C2CC2 11a_100000182618_100000210395 [0,0,0,2,0,0|2,0,0]=4 21849 B13R2.444 O=C(NC1CCCCC1)C2CC2 1626a_100000182618_100000210395 [0,0,0,2,0,0|2,0,0]=4 21850 B13R2.444 O=C(NC1CCCCC1)C2CC2 240690a_100000182618_100000210395 [0,0,0,2,0,0|2,0,0]=4 21851 B13R2.444 O=C(NC1CCCCC1)C2CC2 527a_100000182618_100000210395 [0,0,0,2,0,0|2,0,0]=4 21852 B13R2.820 CCCC(=O)N1C2CCC1CC2 11a_100000735658_100000211992 [0,0,0,2,0,0|2,0,0]=4 21853 B13R2.820 CCCC(=O)N1C2CCC1CC2 1626a_100000735658_100000211992 [0,0,0,2,0,0|2,0,0]=4 21854 B13R2.820 CCCC(=O)N1C2CCC1CC2 240690a_100000735658_100000211992 [0,0,0,2,0,0|2,0,0]=4 21855 B13R2.820 CCCC(=O)N1C2CCC1CC2 527a_100000735658_100000211992 [0,0,0,2,0,0|2,0,0]=4 21856 B13R2.820 CCNC(=O)N1C2CCC1CC2 2708a_100015525214_100000735658 [0,0,0,2,0,0|2,0,0]=4 21857 B13R2.820 CCNC(=O)N1C2CCC1CC2 273464a_100015525214_100000735658 [0,0,0,2,0,0|2,0,0]=4 21858 B13R2.2232 CCCC(=O)CN1CC2CC2C1 2230a_100000741873_100000747444 [0,0,0,2,0,0|2,0,0]=4 21859 B13R2.2232 CCCC(=O)CN1CC2CC2C1 269982a_100000741873_100000747444 [0,0,0,2,0,0|2,0,0]=4 21860 B13R2.2232 CCNC(=O)CN1CC2CC2C1 2230a_100000741873_100000183381 [0,0,0,2,0,0|2,0,0]=4 21861 B13R2.2232 CCNC(=O)CN1CC2CC2C1 269982a_100000741873_100000183381 [0,0,0,2,0,0|2,0,0]=4 21862 B13R2.2232 CCNC(=O)CN1CC2CC2C1 34a_100000741873_100000183381 [0,0,0,2,0,0|2,0,0]=4 21863 B13R2.2232 CCOC(=O)CN1CC2CC2C1 2230a_100000741873_100000188475 [0,0,0,2,0,0|1,0,0]=3 21864 B13R2.2232 CCOC(=O)CN1CC2CC2C1 269982a_100000741873_100000188475 [0,0,0,2,0,0|1,0,0]=3 21865 B13R2.2232 CCOC(=O)CN1CC2CC2C1 34a_100000741873_100000188475 [0,0,0,2,0,0|1,0,0]=3 21866 B13R2.14823 CCCC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100000210303 [0,0,0,2,0,0|1,0,0]=3 21867 B13R2.14823 CCNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 11a_100015525214_100153394716 [0,0,0,2,0,0|1,0,0]=3 21868 B13R2.14823 CCNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 240690a_100015525214_100153394716 [0,0,0,2,0,0|1,0,0]=3 21869 B13R2.14823 CCNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 527a_100015525214_100153394716 [0,0,0,2,0,0|1,0,0]=3 21870 B13R2.14823 CNNC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 22a_100016993582_100153394716 [0,0,0,2,0,0|2,0,0]=4 21871 B13R2.14823 O=C(CCF)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100011217306 [0,0,0,2,0,0|2,0,0]=4 21872 B13R2.14823 O=C(CCO)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_100000211926 [0,0,0,2,0,0|2,0,0]=4 21873 B13R2.29 O=C1CCCC1NC2CCCC2 2230a_100000211070_100000211823 [0,0,0,2,0,0|2,0,0]=4 21874 B13R2.29 O=C1CCCC1NC2CCCC2 34a_100000211070_100000709159 [0,0,0,2,0,0|2,0,0]=4 21875 B13R2.29 O=C1CCCC1OC2CCCC2 34a_100000210269_100000709159 [0,0,0,2,0,0|2,0,0]=4 21876 B13R2.29 O=C1CCCC1OC2CCCC2 34a_200000719330_100000179811 [0,0,0,2,0,0|2,0,0]=4 21877 B13R2.29 O=C1CCCC1OC2CCCC2 7a_100000210269_100000211823 [0,0,0,2,0,0|2,0,0]=4 21878 B13R2.29 O=C1CCCC1SC2CCCC2 62a_100000211823_100000179811 [0,0,0,2,0,0|2,0,0]=4 21879 B13R2.29 O=C1CCCC1SC2CCCC2 62a_100011217020_100000211823 [0,0,0,2,0,0|2,0,0]=4 21880 B13R2.29 O=C1NCCC1NC2CCCC2 2230a_100016995588_100000179811 [0,0,0,2,0,0|2,0,0]=4 21881 B13R2.29 O=C1NCCC1NC2CCCC2 270004a_100016995588_100000210133 [0,0,0,2,0,0|2,0,0]=4 21882 B13R2.29 O=C1NCCC1NC2CCCC2 34a_100016995588_100000179811 [0,0,0,2,0,0|2,0,0]=4 21883 B13R2.29 O=C1NCC[C@@H]1OC2CCCC2 34a_100000688343_100000179811 [0,0,0,2,0,0|2,0,0]=4 21884 B13R2.29 O=C1OCCC1NC2CCCC2 2230a_100000211070_100000211211 [0,0,0,2,0,0|1,0,0]=3 21885 B13R2.29 O=C1OCCC1NC2CCCC2 34a_100000211070_100000211211 [0,0,0,2,0,0|1,0,0]=3 21886 B13R2.29 O=C1OCCC1N[C@@H]2CCOC2 2230a_200015188469_100000211211 [0,0,0,2,0,0|2,0,0]=4 21887 B13R2.29 O=C1OCCC1N[C@H]2CCOC2 2230a_100015188467_100000211211 [0,0,0,2,0,0|2,0,0]=4 21888 B13R2.29 O=C1OCCC1N[C@H]2CCOC2 34a_100015188467_100000211211 [0,0,0,2,0,0|2,0,0]=4 21889 B13R2.29 O=C1OCCC1OC2CCCC2 34a_100000210269_100000211211 [0,0,0,2,0,0|1,0,0]=3 21890 B13R2.29 O=C1OCCC1OC2CCCC2 7a_100000210269_100000211211 [0,0,0,2,0,0|1,0,0]=3 21891 B13R2.29 O=C1OCCC1OC2CCCO2 34a_100000085407_100000211211 [0,0,0,2,0,0|2,0,0]=4 21892 B13R2.29 O=C1OCCC1OC2CCSC2 7a_100011232664_100000211211 [0,0,0,2,0,0|2,0,0]=4 21893 B13R2.29 O=C1OCCC1O[C@H]2CCOC2 34a_100000717292_100000211211 [0,0,0,2,0,0|2,0,0]=4 21894 B13R2.29 O=C1OCCC1SC2CCCC2 62a_100000211211_100000179811 [0,0,0,2,0,0|1,0,0]=3 21895 B13R2.29 O=C1OCCC1SC2CCCC2 62a_100011217020_100000211211 [0,0,0,2,0,0|1,0,0]=3 21896 B13R2.29 O=C1OCCC1SC2CCOC2 62a_100000211211_100000690089 [0,0,0,2,0,0|2,0,0]=4 21897 B13R2.449 CCOC1CCC2CCCC2C1 34a_100000073670_100000210202 [0,0,0,2,0,0|1,0,1]=4 21898 B13R2.449 CCOC1CCC2CCCC2C1 7a_100000073670_100000210202 [0,0,0,2,0,0|1,0,1]=4 21899 B13R2.856 CC#CC(=O)C1CC2CCC1C2 1458a_100000763181_100000727232 [0,0,0,2,0,0|1,0,1]=4 21900 B13R2.856 CC=CC(=O)C1CC2CCC1C2 1458a_100000210699_100000727232 [0,0,0,2,0,0|1,0,1]=4 21901 B13R2.856 CCCC(=O)C1CC2CCC1C2 1458a_100000181847_100000210303 [0,0,0,2,0,0|1,0,0]=3 21902 B13R2.856 CCCC(=O)C1CC2CCC1C2 1458a_100000211992_100000727232 [0,0,0,2,0,0|1,0,0]=3 21903 B13R2.856 CCCC(=O)N1CC2CCC1C2 11a_100000743476_100000211992 [0,0,0,2,0,0|2,0,0]=4 21904 B13R2.856 CCCC(=O)N1CC2CCC1C2 1626a_100000743476_100000211992 [0,0,0,2,0,0|2,0,0]=4 21905 B13R2.856 CCCC(=O)N1CC2CCC1C2 240690a_100000743476_100000211992 [0,0,0,2,0,0|2,0,0]=4 21906 B13R2.856 CCCC(=O)N1CC2CCC1C2 527a_100000743476_100000211992 [0,0,0,2,0,0|2,0,0]=4 21907 B13R2.856 CCNC(=O)C1CC2CCC1C2 11a_100015525214_100000181847 [0,0,0,2,0,0|1,0,0]=3 21908 B13R2.856 CCNC(=O)C1CC2CCC1C2 240690a_100015525214_100000181847 [0,0,0,2,0,0|1,0,0]=3 21909 B13R2.856 CCNC(=O)C1CC2CCC1C2 527a_100015525214_100000181847 [0,0,0,2,0,0|1,0,0]=3 21910 B13R2.856 CCNC(=O)N1CC2CCC1C2 2708a_100015525214_100000743476 [0,0,0,2,0,0|2,0,0]=4 21911 B13R2.856 CCNC(=O)N1CC2CCC1C2 273464a_100015525214_100000743476 [0,0,0,2,0,0|2,0,0]=4 21912 B13R2.856 CNNC(=O)C1CC2CCC1C2 22a_100016993582_100000181847 [0,0,0,2,0,0|2,0,0]=4 21913 B13R2.856 COCC(=O)C1CC2CCC1C2 1458a_100000210968_100000727232 [0,0,0,2,0,0|2,0,0]=4 21914 B13R2.856 CSCC(=O)C1CC2CCC1C2 1458a_100000184570_100000727232 [0,0,0,2,0,0|2,0,0]=4 21915 B13R2.856 O=C(CCF)C1CC2CCC1C2 1458a_100000181847_100011217306 [0,0,0,2,0,0|2,0,0]=4 21916 B13R2.856 O=C(CCO)C1CC2CCC1C2 1458a_100000181847_100000211926 [0,0,0,2,0,0|2,0,0]=4 21917 B13R2.856 O=C(CCO)C1CC2CCC1C2 1458a_100011216618_100000727232 [0,0,0,2,0,0|2,0,0]=4 21918 B13R2.6970 O=C(CCC1CCCC1)C2CC2 1458a_100000210395_100000760354 [0,0,0,2,0,0|1,0,0]=3 21919 B13R2.6970 O=C(CCC1CCCC1)C2CO2 1458a_100000701028_100000760354 [0,0,0,2,0,0|2,0,0]=4 21920 B13R2.6970 O=C(CCN1CCCC1)C2CC2 1458a_100000210395_100000004467 [0,0,0,2,0,0|2,0,0]=4 21921 B13R2.6970 O=C(CNC1CCCC1)C2CC2 2230a_100000211070_100000746382 [0,0,0,2,0,0|2,0,0]=4 21922 B13R2.6970 O=C(CNC1CCCC1)C2CC2 34a_100000211070_100000746382 [0,0,0,2,0,0|2,0,0]=4 21923 B13R2.6970 O=C(COC1CCCC1)C2CC2 34a_100000210269_100000746382 [0,0,0,2,0,0|2,0,0]=4 21924 B13R2.6970 O=C(COC1CCCC1)C2CC2 34a_100000686663_100000179811 [0,0,0,2,0,0|2,0,0]=4 21925 B13R2.6970 O=C(COC1CCCC1)C2CC2 7a_100000210269_100000746382 [0,0,0,2,0,0|2,0,0]=4 21926 B13R2.6970 O=C(CSC1CCCC1)C2CC2 62a_100000746382_100000179811 [0,0,0,2,0,0|2,0,0]=4 21927 B13R2.6970 O=C(CSC1CCCC1)C2CC2 62a_100011217020_100000746382 [0,0,0,2,0,0|2,0,0]=4 21928 B13R2.6970 O=C(NCC1CCCC1)C2CC2 11a_100000737975_100000210395 [0,0,0,2,0,0|2,0,0]=4 21929 B13R2.6970 O=C(NCC1CCCC1)C2CC2 1626a_100000737975_100000210395 [0,0,0,2,0,0|2,0,0]=4 21930 B13R2.6970 O=C(NCC1CCCC1)C2CC2 240690a_100000737975_100000210395 [0,0,0,2,0,0|2,0,0]=4 21931 B13R2.6970 O=C(NCC1CCCC1)C2CC2 527a_100000737975_100000210395 [0,0,0,2,0,0|2,0,0]=4 21932 B13R2.3097 CC1CCCCN1C(=O)C2CC2 11a_100000211376_100000210395 [0,0,0,2,0,0|2,0,0]=4 21933 B13R2.3097 CC1CCCCN1C(=O)C2CC2 1626a_100000211376_100000210395 [0,0,0,2,0,0|2,0,0]=4 21934 B13R2.3097 CC1CCCCN1C(=O)C2CC2 240690a_100000211376_100000210395 [0,0,0,2,0,0|2,0,0]=4 21935 B13R2.3097 CC1CCCCN1C(=O)C2CC2 527a_100000211376_100000210395 [0,0,0,2,0,0|2,0,0]=4 21936 B13R2.462 CCCC(=O)N1CCCC12CC2 11a_100020620911_100000211992 [0,0,0,2,0,0|2,0,0]=4 21937 B13R2.462 CCCC(=O)N1CCCC12CC2 1626a_100020620911_100000211992 [0,0,0,2,0,0|2,0,0]=4 21938 B13R2.462 CCCC(=O)N1CCCC12CC2 240690a_100020620911_100000211992 [0,0,0,2,0,0|2,0,0]=4 21939 B13R2.462 CCCC(=O)N1CCCC12CC2 527a_100020620911_100000211992 [0,0,0,2,0,0|2,0,0]=4 21940 B13R2.462 CCNC(=O)N1CCCC12CC2 2708a_100015525214_100020620911 [0,0,0,2,0,0|2,0,0]=4 21941 B13R2.3140 O=C1CCCC1NCCC2CC2 34a_100000764129_100000709159 [0,0,0,2,0,0|2,0,0]=4 21942 B13R2.3140 O=C1CCCC1OCCC2CC2 34a_100000754188_100000709159 [0,0,0,2,0,0|2,0,0]=4 21943 B13R2.3140 O=C1CCCC1OCCC2CC2 34a_200000719330_100000694398 [0,0,0,2,0,0|2,0,0]=4 21944 B13R2.3140 O=C1CCCC1OCCC2CC2 7a_100000754188_100000211823 [0,0,0,2,0,0|2,0,0]=4 21945 B13R2.3140 O=C1CCCC1SCCC2CC2 62a_100000211823_100000764125 [0,0,0,2,0,0|2,0,0]=4 21946 B13R2.3140 O=C1CCCC1SCCC2CC2 62a_100000764125_100000211823 [0,0,0,2,0,0|2,0,0]=4 21947 B13R2.3140 O=C1NCCC1COCC2CC2 34a_100000133458_100000742324 [0,0,0,2,0,0|2,0,0]=4 21948 B13R2.3140 O=C1NCCC1NCCC2CC2 2230a_100016995588_100000694398 [0,0,0,2,0,0|2,0,0]=4 21949 B13R2.3140 O=C1NCCC1NCCC2CC2 34a_100016995588_100000694398 [0,0,0,2,0,0|2,0,0]=4 21950 B13R2.3140 O=C1NCC[C@@H]1OCCC2CC2 34a_100000688343_100000694398 [0,0,0,2,0,0|2,0,0]=4 21951 B13R2.3140 O=C1OCCC1NCCC2CC2 34a_100000764129_100000211211 [0,0,0,2,0,0|1,0,0]=3 21952 B13R2.3140 O=C1OCCC1OCCC2CC2 34a_100000754188_100000211211 [0,0,0,2,0,0|1,0,0]=3 21953 B13R2.3140 O=C1OCCC1OCCC2CC2 7a_100000754188_100000211211 [0,0,0,2,0,0|1,0,0]=3 21954 B13R2.3140 O=C1OCCC1OCC[C@@H]2CO2 34a_100009820653_100000211211 [0,0,0,2,0,0|2,0,0]=4 21955 B13R2.3140 O=C1OCCC1SCCC2CC2 62a_100000211211_100000764125 [0,0,0,2,0,0|1,0,0]=3 21956 B13R2.3140 O=C1OCCC1SCCC2CC2 62a_100000764125_100000211211 [0,0,0,2,0,0|1,0,0]=3 21957 B13R2.3140 O=C1OCCC1SCCC2CO2 62a_100000211211_100000732470 [0,0,0,2,0,0|2,0,0]=4 21958 B13R2.3140 O=C1OCCC1SCCC2CO2 62a_100000732470_100000211211 [0,0,0,2,0,0|2,0,0]=4 21959 B13R2.9370 O=C(CNCCC1CC1)C2CC2 34a_100000764129_100000746382 [0,0,0,2,0,0|2,0,0]=4 21960 B13R2.9370 O=C(COCCC1CC1)C2CC2 34a_100000686663_100000694398 [0,0,0,2,0,0|2,0,0]=4 21961 B13R2.9370 O=C(COCCC1CC1)C2CC2 34a_100000754188_100000746382 [0,0,0,2,0,0|2,0,0]=4 21962 B13R2.9370 O=C(COCCC1CC1)C2CC2 7a_100000754188_100000746382 [0,0,0,2,0,0|2,0,0]=4 21963 B13R2.9370 O=C(CSCCC1CC1)C2CC2 62a_100000746382_100000764125 [0,0,0,2,0,0|2,0,0]=4 21964 B13R2.9370 O=C(CSCCC1CC1)C2CC2 62a_100000764125_100000746382 [0,0,0,2,0,0|2,0,0]=4 21965 B13R2.11178 O=C1CCN(CCN1)CC2CC2 2230a_100000698595_100000742324 [0,0,0,2,0,0|2,0,0]=4 21966 B13R2.11178 O=C1CCN(CCN1)CC2CC2 269982a_100000698595_100000756562 [0,0,0,2,0,0|2,0,0]=4 21967 B13R2.692 O=C(CNCC1CCC1)C2CC2 2230a_100000738700_100000746382 [0,0,0,2,0,0|2,0,0]=4 21968 B13R2.692 O=C(CNCC1CCC1)C2CC2 34a_100000738700_100000746382 [0,0,0,2,0,0|2,0,0]=4 21969 B13R2.692 O=C(COCC1CCC1)C2CC2 34a_100000686663_100000763275 [0,0,0,2,0,0|2,0,0]=4 21970 B13R2.692 O=C(COCC1CCC1)C2CC2 34a_100000760304_100000746382 [0,0,0,2,0,0|2,0,0]=4 21971 B13R2.692 O=C(CSCC1CCC1)C2CC2 62a_100000746382_100000763275 [0,0,0,2,0,0|2,0,0]=4 21972 B13R2.692 O=C(CSCC1CCC1)C2CC2 62a_100000763275_100000746382 [0,0,0,2,0,0|2,0,0]=4 21973 B13R2.3152 O=C1CCCC1NCC2CCC2 2230a_100000738700_100000211823 [0,0,0,2,0,0|2,0,0]=4 21974 B13R2.3152 O=C1CCCC1NCC2CCC2 34a_100000738700_100000709159 [0,0,0,2,0,0|2,0,0]=4 21975 B13R2.3152 O=C1CCCC1OCC2CCC2 34a_100000760304_100000709159 [0,0,0,2,0,0|2,0,0]=4 21976 B13R2.3152 O=C1CCCC1OCC2CCC2 34a_200000719330_100000763275 [0,0,0,2,0,0|2,0,0]=4 21977 B13R2.3152 O=C1CCCC1SCC2CCC2 62a_100000211823_100000763275 [0,0,0,2,0,0|2,0,0]=4 21978 B13R2.3152 O=C1CCCC1SCC2CCC2 62a_100000763275_100000211823 [0,0,0,2,0,0|2,0,0]=4 21979 B13R2.3152 O=C1NCCC1COC2CCC2 34a_100000133458_100000749161 [0,0,0,2,0,0|2,0,0]=4 21980 B13R2.3152 O=C1NCCC1NCC2CCC2 2230a_100016995588_100000763275 [0,0,0,2,0,0|2,0,0]=4 21981 B13R2.3152 O=C1NCCC1NCC2CCC2 34a_100016995588_100000763275 [0,0,0,2,0,0|2,0,0]=4 21982 B13R2.3152 O=C1NCC[C@@H]1OCC2CCC2 34a_100000688343_100000763275 [0,0,0,2,0,0|2,0,0]=4 21983 B13R2.3152 O=C1OCCC1NCC2CCC2 2230a_100000738700_100000211211 [0,0,0,2,0,0|1,0,0]=3 21984 B13R2.3152 O=C1OCCC1NCC2CCC2 34a_100000738700_100000211211 [0,0,0,2,0,0|1,0,0]=3 21985 B13R2.3152 O=C1OCCC1NCC2COC2 2230a_100015281925_100000211211 [0,0,0,2,0,0|2,0,0]=4 21986 B13R2.3152 O=C1OCCC1NCC2COC2 34a_100015281925_100000211211 [0,0,0,2,0,0|2,0,0]=4 21987 B13R2.3152 O=C1OCCC1NC[C@@H]2CCO2 2230a_100020831831_100000211211 [0,0,0,2,0,0|2,0,0]=4 21988 B13R2.3152 O=C1OCCC1NC[C@@H]2CCO2 34a_100020831831_100000211211 [0,0,0,2,0,0|2,0,0]=4 21989 B13R2.3152 O=C1OCCC1OCC2CCC2 34a_100000760304_100000211211 [0,0,0,2,0,0|1,0,0]=3 21990 B13R2.3152 O=C1OCCC1OCC2CCO2 34a_100000039022_100000211211 [0,0,0,2,0,0|2,0,0]=4 21991 B13R2.3152 O=C1OCCC1OCC2CNC2 34a_100016987283_100000211211 [0,0,0,2,0,0|2,0,0]=4 21992 B13R2.3152 O=C1OCCC1OCC2COC2 34a_100000060846_100000211211 [0,0,0,2,0,0|2,0,0]=4 21993 B13R2.3152 O=C1OCCC1SCC2CCC2 62a_100000211211_100000763275 [0,0,0,2,0,0|1,0,0]=3 21994 B13R2.3152 O=C1OCCC1SCC2CCC2 62a_100000763275_100000211211 [0,0,0,2,0,0|1,0,0]=3 21995 B13R2.3152 O=C1OCCC1SCC2CCO2 62a_100000103362_100000211211 [0,0,0,2,0,0|2,0,0]=4 21996 B13R2.3152 O=C1OCCC1SCC2CCO2 62a_100000211211_100000103362 [0,0,0,2,0,0|2,0,0]=4 21997 B13R2.3152 O=C1OCCC1SCC2COC2 62a_100000211211_100010264016 [0,0,0,2,0,0|2,0,0]=4 21998 B13R2.3152 O=C1OCCC1SCC2COC2 62a_100010264016_100000211211 [0,0,0,2,0,0|2,0,0]=4 21999 B13R2.11172 O=C1CCN(CCN1)C2CCC2 269982a_100000698595_100000749161 [0,0,0,2,0,0|2,0,0]=4 22000 B13R2.11172 O=C1CCN(CCN1)C2CCC2 270004a_100000698595_100000241760 [0,0,0,2,0,0|2,0,0]=4 22001 B13R2.2598 CCC1CCCN1C(=O)C2CC2 11a_100000754278_100000210395 [0,0,0,2,0,0|2,0,0]=4 22002 B13R2.2598 CCC1CCCN1C(=O)C2CC2 1626a_100000754278_100000210395 [0,0,0,2,0,0|2,0,0]=4 22003 B13R2.2598 CCC1CCCN1C(=O)C2CC2 240690a_100000754278_100000210395 [0,0,0,2,0,0|2,0,0]=4 22004 B13R2.2598 CCC1CCCN1C(=O)C2CC2 527a_100000754278_100000210395 [0,0,0,2,0,0|2,0,0]=4 22005 B13R2.181 CC1SCCN1C2CCOC2=O 2230a_200011216479_100000211211 [0,0,0,2,0,0|2,0,0]=4 22006 B13R2.181 CC1SCCN1C2CCOC2=O 269982a_200011216479_100000211211 [0,0,0,2,0,0|2,0,0]=4 22007 B13R2.181 CC1SCCN1C2CCOC2=O 34a_200011216479_100000211211 [0,0,0,2,0,0|2,0,0]=4 22008 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 2230a_100015189458_100000211823 [0,0,0,2,0,0|2,0,0]=4 22009 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 269982a_100015189458_100000211823 [0,0,0,2,0,0|2,0,0]=4 22010 B13R2.181 C[C@@H]1CCCN1C2CCCC2=O 34a_100015189458_100000709159 [0,0,0,2,0,0|2,0,0]=4 22011 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 2230a_100015189458_100000211211 [0,0,0,2,0,0|1,0,0]=3 22012 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 269982a_100015189458_100000211211 [0,0,0,2,0,0|1,0,0]=3 22013 B13R2.181 C[C@@H]1CCCN1C2CCOC2=O 34a_100015189458_100000211211 [0,0,0,2,0,0|1,0,0]=3 22014 B13R2.181 C[C@H]1CCCN1C2CCCC2=O 2230a_100020605311_100000211823 [0,0,0,2,0,0|2,0,0]=4 22015 B13R2.181 C[C@H]1CCCN1C2CCCC2=O 269982a_100020605311_100000211823 [0,0,0,2,0,0|2,0,0]=4 22016 B13R2.181 C[C@H]1CCCN1C2CCOC2=O 2230a_100020605311_100000211211 [0,0,0,2,0,0|1,0,0]=3 22017 B13R2.181 C[C@H]1CCCN1C2CCOC2=O 269982a_100020605311_100000211211 [0,0,0,2,0,0|1,0,0]=3 22018 B13R2.3139 C[C@@H]1CCCN1CC(=O)C2CC2 2230a_100015189458_100000746382 [0,0,0,2,0,0|2,0,0]=4 22019 B13R2.3139 C[C@@H]1CCCN1CC(=O)C2CC2 269982a_100015189458_100000746382 [0,0,0,2,0,0|2,0,0]=4 22020 B13R2.3139 C[C@@H]1CCCN1CC(=O)C2CC2 34a_100015189458_100000746382 [0,0,0,2,0,0|2,0,0]=4 22021 B13R2.3139 C[C@H]1CCCN1CC(=O)C2CC2 2230a_100020605311_100000746382 [0,0,0,2,0,0|2,0,0]=4 22022 B13R2.3139 C[C@H]1CCCN1CC(=O)C2CC2 269982a_100020605311_100000746382 [0,0,0,2,0,0|2,0,0]=4 22023 B13R2.2130 CCN1CCN2C(=O)CCC2C1 2230a_100020639069_100000210202 [0,0,0,2,0,0|2,0,0]=4 22024 B13R2.2130 CCN1CCN2C(=O)CCC2C1 269982a_100020639069_100000204670 [0,0,0,2,0,0|2,0,0]=4 22025 B13R2.2130 CCN1CCN2C(=O)CCC2C1 34a_100020639069_100000210202 [0,0,0,2,0,0|2,0,0]=4 22026 B13R2.179 CC1CC1COC2CCCC2=O 34a_100000744939_100000709159 [0,0,0,2,0,0|2,0,0]=4 22027 B13R2.179 CC1CC1COC2CCCC2=O 7a_100000744939_100000211823 [0,0,0,2,0,0|2,0,0]=4 22028 B13R2.179 CC1CC1COC2CCOC2=O 34a_100000744939_100000211211 [0,0,0,2,0,0|1,0,0]=3 22029 B13R2.179 CC1CC1COC2CCOC2=O 7a_100000744939_100000211211 [0,0,0,2,0,0|1,0,0]=3 22030 B13R2.2283 O=C(C1CC1)N2CCCCCC2 11a_100000185865_100000210395 [0,0,0,2,0,0|2,0,0]=4 22031 B13R2.2283 O=C(C1CC1)N2CCCCCC2 1626a_100000185865_100000210395 [0,0,0,2,0,0|2,0,0]=4 22032 B13R2.2283 O=C(C1CC1)N2CCCCCC2 240690a_100000185865_100000210395 [0,0,0,2,0,0|2,0,0]=4 22033 B13R2.2283 O=C(C1CC1)N2CCCCCC2 527a_100000185865_100000210395 [0,0,0,2,0,0|2,0,0]=4 22034 B13R2.2283 O=C(C1CCCCCC1)C2CC2 1458a_100000210395_100011217769 [0,0,0,2,0,0|1,0,0]=3 22035 B13R2.2283 O=C(C1CCCCCC1)C2CO2 1458a_100000701028_100011217769 [0,0,0,2,0,0|2,0,0]=4 22036 B13R2.3402 CC1CC1COCC(=O)C2CC2 34a_100000744939_100000746382 [0,0,0,2,0,0|2,0,0]=4 22037 B13R2.3402 CC1CC1COCC(=O)C2CC2 7a_100000744939_100000746382 [0,0,0,2,0,0|2,0,0]=4