0 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100000210558_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B13R0.2 C#CCC(=O)CCCCCCCCC 1458a_100011220946_100000210670 [0,0,0,0,0,0|1,0,2]=3 2 B13R0.2 C#CCC(=O)CCCCCCCCO 1458a_100011220946_100000033203 [0,0,0,0,0,0|2,0,2]=4 3 B13R0.2 C#CCC(=O)NCCCCCCCC 1626a_100000229939_100011220946 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.2 C#CCC(=O)NCCCCCCCC 527a_100000229939_100011220946 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.2 C#CCCCCCCCC(=O)C#CC 1458a_100000763181_100153394163 [0,0,0,0,0,0|1,0,3]=4 6 B13R0.2 C#CCCCCCCCC(=O)C=CC 1458a_100000210699_100153394163 [0,0,0,0,0,0|1,0,3]=4 7 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000087357_100000210303 [0,0,0,0,0,0|1,0,2]=3 8 B13R0.2 C#CCCCCCCCC(=O)CCC 1458a_100000211992_100153394163 [0,0,0,0,0,0|1,0,2]=3 9 B13R0.2 C#CCCCCCCCC(=O)CCF 1458a_100000087357_100011217306 [0,0,0,0,0,0|2,0,2]=4 10 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100000087357_100000211926 [0,0,0,0,0,0|2,0,2]=4 11 B13R0.2 C#CCCCCCCCC(=O)CCO 1458a_100011216618_100153394163 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.2 C#CCCCCCCCC(=O)COC 1458a_100000210968_100153394163 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.2 C#CCCCCCCCC(=O)CSC 1458a_100000184570_100153394163 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.2 C#CCCCCCCCC(=O)NCC 11a_100015525214_100000087357 [0,0,0,0,0,0|1,0,2]=3 15 B13R0.2 C#CCCCCCCCC(=O)NCC 240690a_100015525214_100000087357 [0,0,0,0,0,0|1,0,2]=3 16 B13R0.2 C#CCCCCCCCC(=O)NCC 527a_100015525214_100000087357 [0,0,0,0,0,0|1,0,2]=3 17 B13R0.2 C#CCCCCCCCC(=O)NNC 22a_100016993582_100000087357 [0,0,0,0,0,0|2,0,2]=4 18 B13R0.2 C#CCCCCCNCC(=O)NCC 2230a_100016988866_100012094781 [0,0,0,0,0,0|2,0,2]=4 19 B13R0.2 C#CCCCCCOCC(=O)CCC 7a_100000766912_100000747444 [0,0,0,0,0,0|2,0,2]=4 20 B13R0.2 C#CCCCCCOCC(=O)NCC 34a_100000766912_100000183381 [0,0,0,0,0,0|2,0,2]=4 21 B13R0.2 C#CCCCCCOCC(=O)NCC 7a_100000766912_100000183381 [0,0,0,0,0,0|2,0,2]=4 22 B13R0.2 C#CCCCCCOCC(=O)OCC 34a_100000766912_100000188475 [0,0,0,0,0,0|1,0,2]=3 23 B13R0.2 C#CCCCCCOCC(=O)OCC 7a_100000766912_100000188475 [0,0,0,0,0,0|1,0,2]=3 24 B13R0.2 C#CCCCCCSCC(=O)CCC 62a_100000747444_100012094781 [0,0,0,0,0,0|2,0,2]=4 25 B13R0.2 C#CCCCCCSCC(=O)CCC 62a_100012094781_100000747444 [0,0,0,0,0,0|2,0,2]=4 26 B13R0.2 C#CCCCCCSCC(=O)NCC 62a_100000183381_100012094781 [0,0,0,0,0,0|2,0,2]=4 27 B13R0.2 C#CCCCCCSCC(=O)NCC 62a_100012094781_100000183381 [0,0,0,0,0,0|2,0,2]=4 28 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100000188475_100012094781 [0,0,0,0,0,0|1,0,2]=3 29 B13R0.2 C#CCCCCCSCC(=O)OCC 62a_100012094781_100000188475 [0,0,0,0,0,0|1,0,2]=3 30 B13R0.2 C#CCCCCNCCC(=O)NCC 2230a_100000706060_100000737597 [0,0,0,0,0,0|2,0,2]=4 31 B13R0.2 C#CCCCCNCCC(=O)NCC 34a_100025743525_100010269958 [0,0,0,0,0,0|2,0,2]=4 32 B13R0.2 C#CCCCCNCCC(=O)OCC 2230a_100000706060_100011206558 [0,0,0,0,0,0|1,0,2]=3 33 B13R0.2 C#CCCCCNCCC(=O)OCC 34a_100000706060_100000765890 [0,0,0,0,0,0|1,0,2]=3 34 B13R0.2 C#CCCCCOCCC(=O)NCC 7a_100000766709_100000737597 [0,0,0,0,0,0|2,0,2]=4 35 B13R0.2 C#CCCCCOCCC(=O)OCC 34a_100000766709_100000765890 [0,0,0,0,0,0|1,0,2]=3 36 B13R0.2 C#CCCCCOCCC(=O)OCC 7a_100000766709_100011206558 [0,0,0,0,0,0|1,0,2]=3 37 B13R0.2 C#CCCCCSCCC(=O)NCC 62a_100000737597_100010269958 [0,0,0,0,0,0|2,0,2]=4 38 B13R0.2 C#CCCCCSCCC(=O)NCC 62a_100010269958_100000737597 [0,0,0,0,0,0|2,0,2]=4 39 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100000765890_100010269958 [0,0,0,0,0,0|1,0,2]=3 40 B13R0.2 C#CCCCCSCCC(=O)OCC 62a_100010269958_100000765890 [0,0,0,0,0,0|1,0,2]=3 41 B13R0.2 C#CCCCCSCOC(=O)OCC 62a_100010269958_100000075025 [0,0,0,0,0,0|2,0,2]=4 42 B13R0.2 C#CCCCNCCCC(=O)OCC 34a_100000718082_100009991533 [0,0,0,0,0,0|1,0,2]=3 43 B13R0.2 C#CCCCOCCCC(=O)OCC 34a_100000215630_100009991533 [0,0,0,0,0,0|1,0,2]=3 44 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100000215630_100011215271 [0,0,0,0,0,0|1,0,2]=3 45 B13R0.2 C#CCCCOCCCC(=O)OCC 7a_100012001163_100011215417 [0,0,0,0,0,0|1,0,2]=3 46 B13R0.2 C#CCCCOCCNC(=O)OCC 34a_100000158857_100000695029 [0,0,0,0,0,0|2,0,2]=4 47 B13R0.2 C#CCCCOCCNC(=O)OCC 7a_100000215630_200011445536 [0,0,0,0,0,0|2,0,2]=4 48 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100009991533_100011215417 [0,0,0,0,0,0|1,0,2]=3 49 B13R0.2 C#CCCCSCCCC(=O)OCC 62a_100011215417_100009991533 [0,0,0,0,0,0|1,0,2]=3 50 B13R0.2 C#CCCCSCCNC(=O)OCC 62a_100011215417_200011445536 [0,0,0,0,0,0|2,0,2]=4 51 B13R0.2 C#CCCNCCCCC(=O)OCC 34a_100000755551_100000750268 [0,0,0,0,0,0|1,0,2]=3 52 B13R0.2 C#CCCNCCOCC(=O)OCC 34a_100000755551_100000088970 [0,0,0,0,0,0|2,0,2]=4 53 B13R0.2 C#CCCOCCCCC(=O)OCC 34a_100011215631_100000750268 [0,0,0,0,0,0|1,0,2]=3 54 B13R0.2 C#CCCOCCOCC(=O)OCC 34a_100011215631_100000088970 [0,0,0,0,0,0|2,0,2]=4 55 B13R0.2 C#CCCOCCSCC(=O)OCC 7a_200000230590_100000688953 [0,0,0,0,0,0|2,0,2]=4 56 B13R0.2 C#CCCSCCCCC(=O)OCC 62a_100000688953_100000750268 [0,0,0,0,0,0|1,0,2]=3 57 B13R0.2 C#CCCSCCCCC(=O)OCC 62a_100000750268_100000688953 [0,0,0,0,0,0|1,0,2]=3 58 B13R0.2 C#CCCSCCOCC(=O)OCC 62a_100000088970_100000688953 [0,0,0,0,0,0|2,0,2]=4 59 B13R0.2 C#CCCSCCOCC(=O)OCC 62a_100000688953_100000088970 [0,0,0,0,0,0|2,0,2]=4 60 B13R0.2 C#CCNCCCCCC(=O)OCC 34a_100000212058_100000755133 [0,0,0,0,0,0|1,0,2]=3 61 B13R0.2 C#CCNCCCOCC(=O)OCC 34a_100000212058_100009893628 [0,0,0,0,0,0|2,0,2]=4 62 B13R0.2 C#CCOCCCCCC(=O)OCC 34a_100000210247_100000755133 [0,0,0,0,0,0|1,0,2]=3 63 B13R0.2 C#CCOCCCCCC(=O)OCC 7a_100011214988_100000038162 [0,0,0,0,0,0|1,0,2]=3 64 B13R0.2 C#CCOCCCOCC(=O)OCC 34a_100000210247_100009893628 [0,0,0,0,0,0|2,0,2]=4 65 B13R0.2 C#CCOCCNCCC(=O)OCC 2230a_100000700922_100011206558 [0,0,0,0,0,0|2,0,2]=4 66 B13R0.2 C#CCOCCNCCC(=O)OCC 34a_100000700922_100000765890 [0,0,0,0,0,0|2,0,2]=4 67 B13R0.2 C#CCOCCOCCC(=O)OCC 34a_100000054580_100000765890 [0,0,0,0,0,0|2,0,2]=4 68 B13R0.2 C#CCOCCOCCC(=O)OCC 7a_100000054580_100011206558 [0,0,0,0,0,0|2,0,2]=4 69 B13R0.2 C#CCOCCSCCC(=O)OCC 62a_100000765890_100010402529 [0,0,0,0,0,0|2,0,2]=4 70 B13R0.2 C#CCOCCSCCC(=O)OCC 62a_100010402529_100000765890 [0,0,0,0,0,0|2,0,2]=4 71 B13R0.2 C#CCSCCCCCC(=O)OCC 62a_100000038162_100000755133 [0,0,0,0,0,0|1,0,2]=3 72 B13R0.2 C#CCSCCCOCC(=O)OCC 62a_100000038162_100009893628 [0,0,0,0,0,0|2,0,2]=4 73 B13R0.2 C/C=C/CCOCCCC(=O)OCC 34a_100016278192_100009991533 [0,0,0,0,0,0|1,0,2]=3 74 B13R0.2 C/C=C/COCCCCC(=O)OCC 34a_100016270725_100000750268 [0,0,0,0,0,0|1,0,2]=3 75 B13R0.2 C/C=C/COCCOCC(=O)OCC 34a_100016270725_100000088970 [0,0,0,0,0,0|2,0,2]=4 76 B13R0.2 C/C=C/COCCSCC(=O)OCC 7a_200000230590_100102629194 [0,0,0,0,0,0|2,0,2]=4 77 B13R0.2 C/C=C/CSCCCCC(=O)OCC 62a_100000750268_100102629194 [0,0,0,0,0,0|1,0,2]=3 78 B13R0.2 C/C=C/CSCCCCC(=O)OCC 62a_100102629194_100000750268 [0,0,0,0,0,0|1,0,2]=3 79 B13R0.2 C/C=C/CSCCOCC(=O)OCC 62a_100000088970_100102629194 [0,0,0,0,0,0|2,0,2]=4 80 B13R0.2 C/C=C/CSCCOCC(=O)OCC 62a_100102629194_100000088970 [0,0,0,0,0,0|2,0,2]=4 81 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210193_100000210670 [0,0,0,0,0,0|1,0,2]=3 82 B13R0.2 C=CCC(=O)CCCCCCCCC 1458a_100000210558_100000210623 [0,0,0,0,0,0|1,0,2]=3 83 B13R0.2 C=CCC(=O)CCCCCCCCO 1458a_100000210193_100000033203 [0,0,0,0,0,0|2,0,2]=4 84 B13R0.2 C=CCC(=O)NCCCCCCCC 11a_100000229939_100000210193 [0,0,0,0,0,0|2,0,2]=4 85 B13R0.2 C=CCC(=O)NCCCCCCCC 1626a_100000229939_100000210193 [0,0,0,0,0,0|2,0,2]=4 86 B13R0.2 C=CCC(=O)NCCCCCCCC 240690a_100000229939_100000210193 [0,0,0,0,0,0|2,0,2]=4 87 B13R0.2 C=CCC(=O)NCCCCCCCC 527a_100000229939_100000210193 [0,0,0,0,0,0|2,0,2]=4 88 B13R0.2 C=CCCCCCCCC(=O)C#CC 1458a_100000763181_100012355270 [0,0,0,0,0,0|1,0,3]=4 89 B13R0.2 C=CCCCCCCCC(=O)C=CC 1458a_100000210699_100012355270 [0,0,0,0,0,0|1,0,3]=4 90 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100000211992_100012355270 [0,0,0,0,0,0|1,0,2]=3 91 B13R0.2 C=CCCCCCCCC(=O)CCC 1458a_100011216160_100000210303 [0,0,0,0,0,0|1,0,2]=3 92 B13R0.2 C=CCCCCCCCC(=O)CCF 1458a_100011216160_100011217306 [0,0,0,0,0,0|2,0,2]=4 93 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216160_100000211926 [0,0,0,0,0,0|2,0,2]=4 94 B13R0.2 C=CCCCCCCCC(=O)CCO 1458a_100011216618_100012355270 [0,0,0,0,0,0|2,0,2]=4 95 B13R0.2 C=CCCCCCCCC(=O)COC 1458a_100000210968_100012355270 [0,0,0,0,0,0|2,0,2]=4 96 B13R0.2 C=CCCCCCCCC(=O)CSC 1458a_100000184570_100012355270 [0,0,0,0,0,0|2,0,2]=4 97 B13R0.2 C=CCCCCCCCC(=O)NCC 11a_100015525214_100011216160 [0,0,0,0,0,0|1,0,2]=3 98 B13R0.2 C=CCCCCCCCC(=O)NCC 240690a_100015525214_100011216160 [0,0,0,0,0,0|1,0,2]=3 99 B13R0.2 C=CCCCCCCCC(=O)NCC 527a_100015525214_100011216160 [0,0,0,0,0,0|1,0,2]=3 100 B13R0.2 C=CCCCCCCCC(=O)NNC 22a_100016993582_100011216160 [0,0,0,0,0,0|2,0,2]=4 101 B13R0.2 C=CCCCCCNCC(=O)NCC 2230a_100016988866_100000700193 [0,0,0,0,0,0|2,0,2]=4 102 B13R0.2 C=CCCCCCOCC(=O)CCC 7a_100011216702_100000747444 [0,0,0,0,0,0|2,0,2]=4 103 B13R0.2 C=CCCCCCOCC(=O)NCC 34a_100011216702_100000183381 [0,0,0,0,0,0|2,0,2]=4 104 B13R0.2 C=CCCCCCOCC(=O)NCC 7a_100011216702_100000183381 [0,0,0,0,0,0|2,0,2]=4 105 B13R0.2 C=CCCCCCOCC(=O)OCC 34a_100011216702_100000188475 [0,0,0,0,0,0|1,0,2]=3 106 B13R0.2 C=CCCCCCOCC(=O)OCC 7a_100011216702_100000188475 [0,0,0,0,0,0|1,0,2]=3 107 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000700193_100000747444 [0,0,0,0,0,0|2,0,2]=4 108 B13R0.2 C=CCCCCCSCC(=O)CCC 62a_100000747444_100000700193 [0,0,0,0,0,0|2,0,2]=4 109 B13R0.2 C=CCCCCCSCC(=O)NCC 62a_100000183381_100000700193 [0,0,0,0,0,0|2,0,2]=4 110 B13R0.2 C=CCCCCCSCC(=O)NCC 62a_100000700193_100000183381 [0,0,0,0,0,0|2,0,2]=4 111 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000188475_100000700193 [0,0,0,0,0,0|1,0,2]=3 112 B13R0.2 C=CCCCCCSCC(=O)OCC 62a_100000700193_100000188475 [0,0,0,0,0,0|1,0,2]=3 113 B13R0.2 C=CCCCCNCCC(=O)NCC 2230a_100000703577_100000737597 [0,0,0,0,0,0|2,0,2]=4 114 B13R0.2 C=CCCCCNCCC(=O)NCC 34a_100025743525_100011215482 [0,0,0,0,0,0|2,0,2]=4 115 B13R0.2 C=CCCCCNCCC(=O)OCC 2230a_100000703577_100011206558 [0,0,0,0,0,0|1,0,2]=3 116 B13R0.2 C=CCCCCNCCC(=O)OCC 34a_100000703577_100000765890 [0,0,0,0,0,0|1,0,2]=3 117 B13R0.2 C=CCCCCOCCC(=O)NCC 7a_100000766645_100000737597 [0,0,0,0,0,0|2,0,2]=4 118 B13R0.2 C=CCCCCOCCC(=O)OCC 34a_100000766645_100000765890 [0,0,0,0,0,0|1,0,2]=3 119 B13R0.2 C=CCCCCOCCC(=O)OCC 7a_100000766645_100011206558 [0,0,0,0,0,0|1,0,2]=3 120 B13R0.2 C=CCCCCSCCC(=O)NCC 62a_100000737597_100011215482 [0,0,0,0,0,0|2,0,2]=4 121 B13R0.2 C=CCCCCSCCC(=O)NCC 62a_100011215482_100000737597 [0,0,0,0,0,0|2,0,2]=4 122 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100000765890_100011215482 [0,0,0,0,0,0|1,0,2]=3 123 B13R0.2 C=CCCCCSCCC(=O)OCC 62a_100011215482_100000765890 [0,0,0,0,0,0|1,0,2]=3 124 B13R0.2 C=CCCCCSCOC(=O)OCC 62a_100011215482_100000075025 [0,0,0,0,0,0|2,0,2]=4 125 B13R0.2 C=CCCCNCCCC(=O)OCC 2230a_100000700776_100009991533 [0,0,0,0,0,0|1,0,2]=3 126 B13R0.2 C=CCCCNCCCC(=O)OCC 34a_100000700776_100009991533 [0,0,0,0,0,0|1,0,2]=3 127 B13R0.2 C=CCCCOCCCC(=O)OCC 34a_100000758997_100009991533 [0,0,0,0,0,0|1,0,2]=3 128 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100000758997_100011215271 [0,0,0,0,0,0|1,0,2]=3 129 B13R0.2 C=CCCCOCCCC(=O)OCC 7a_100012001163_100000757094 [0,0,0,0,0,0|1,0,2]=3 130 B13R0.2 C=CCCCOCCNC(=O)OCC 34a_100000158857_100000757094 [0,0,0,0,0,0|2,0,2]=4 131 B13R0.2 C=CCCCOCCNC(=O)OCC 7a_100000758997_200011445536 [0,0,0,0,0,0|2,0,2]=4 132 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100009991533_100000757094 [0,0,0,0,0,0|1,0,2]=3 133 B13R0.2 C=CCCCSCCCC(=O)OCC 62a_100011713584_100009991533 [0,0,0,0,0,0|1,0,2]=3 134 B13R0.2 C=CCCCSCCNC(=O)OCC 62a_100011713584_200011445536 [0,0,0,0,0,0|2,0,2]=4 135 B13R0.2 C=CCCNCCCCC(=O)OCC 2230a_100015191253_100000750268 [0,0,0,0,0,0|1,0,2]=3 136 B13R0.2 C=CCCNCCOCC(=O)OCC 2230a_100015191253_100000088970 [0,0,0,0,0,0|2,0,2]=4 137 B13R0.2 C=CCCOCCCCC(=O)OCC 34a_100011205117_100000750268 [0,0,0,0,0,0|1,0,2]=3 138 B13R0.2 C=CCCOCCOCC(=O)OCC 34a_100011205117_100000088970 [0,0,0,0,0,0|2,0,2]=4 139 B13R0.2 C=CCCOCCSCC(=O)OCC 7a_200000230590_100000754431 [0,0,0,0,0,0|2,0,2]=4 140 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000750268_100000754431 [0,0,0,0,0,0|1,0,2]=3 141 B13R0.2 C=CCCSCCCCC(=O)OCC 62a_100000754431_100000750268 [0,0,0,0,0,0|1,0,2]=3 142 B13R0.2 C=CCCSCCOCC(=O)OCC 62a_100000088970_100000754431 [0,0,0,0,0,0|2,0,2]=4 143 B13R0.2 C=CCCSCCOCC(=O)OCC 62a_100000754431_100000088970 [0,0,0,0,0,0|2,0,2]=4 144 B13R0.2 C=CCNCCCCCC(=O)OCC 2230a_100020586998_100000755133 [0,0,0,0,0,0|1,0,2]=3 145 B13R0.2 C=CCNCCCOCC(=O)OCC 2230a_100020586998_100009893628 [0,0,0,0,0,0|2,0,2]=4 146 B13R0.2 C=CCOCCCCCC(=O)OCC 34a_200000210373_100000755133 [0,0,0,0,0,0|1,0,2]=3 147 B13R0.2 C=CCOCCCCCC(=O)OCC 7a_100011214988_100015514636 [0,0,0,0,0,0|1,0,2]=3 148 B13R0.2 C=CCOCCCOCC(=O)OCC 34a_200000210373_100009893628 [0,0,0,0,0,0|2,0,2]=4 149 B13R0.2 C=CCOCCOCCC(=O)OCC 34a_100000037705_100000765890 [0,0,0,0,0,0|2,0,2]=4 150 B13R0.2 C=CCOCCOCCC(=O)OCC 7a_100000037705_100011206558 [0,0,0,0,0,0|2,0,2]=4 151 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000210623_100000755133 [0,0,0,0,0,0|1,0,2]=3 152 B13R0.2 C=CCSCCCCCC(=O)OCC 62a_100000755133_100000210623 [0,0,0,0,0,0|1,0,2]=3 153 B13R0.2 C=CCSCCCOCC(=O)OCC 62a_100000210623_100009893628 [0,0,0,0,0,0|2,0,2]=4 154 B13R0.2 C=CCSCCCOCC(=O)OCC 62a_100009893628_100000210623 [0,0,0,0,0,0|2,0,2]=4 155 B13R0.2 C=COC(=O)CNCCCCCCC 2230a_100000229938_100000036128 [0,0,0,0,0,0|1,0,2]=3 156 B13R0.2 C=COC(=O)CNCCCCCCO 2230a_100000686447_100000036128 [0,0,0,0,0,0|2,0,2]=4 157 B13R0.2 C=COC(=O)CNCCCCCCO 34a_100000686447_100000036128 [0,0,0,0,0,0|2,0,2]=4 158 B13R0.2 C=COC(=O)CNCCCCCOC 2230a_100000747528_100000036128 [0,0,0,0,0,0|2,0,2]=4 159 B13R0.2 C=COC(=O)CNCCCCCOC 34a_100000747528_100000036128 [0,0,0,0,0,0|2,0,2]=4 160 B13R0.2 C=COC(=O)CNCCCOCCC 2230a_100011217757_100000036128 [0,0,0,0,0,0|2,0,2]=4 161 B13R0.2 C=COC(=O)CNCCCOCCC 34a_100011217757_100000036128 [0,0,0,0,0,0|2,0,2]=4 162 B13R0.2 C=COC(=O)CNCCSCCCC 2230a_100025743550_100000036128 [0,0,0,0,0,0|2,0,2]=4 163 B13R0.2 C=COC(=O)COCCCCCCBr 34a_100011215345_100000036128 [0,0,0,0,0,0|2,0,2]=4 164 B13R0.2 C=COC(=O)COCCCCCCC 34a_100000210272_100000036128 [0,0,0,0,0,0|1,0,2]=3 165 B13R0.2 C=COC(=O)COCCCCCCCl 34a_100000766143_100000036128 [0,0,0,0,0,0|2,0,2]=4 166 B13R0.2 C=COC(=O)COCCCCCCF 34a_100000732779_100000036128 [0,0,0,0,0,0|2,0,2]=4 167 B13R0.2 C=COC(=O)COCCCCCCN 34a_100000686447_100000036128 [0,0,0,0,0,0|2,0,2]=4 168 B13R0.2 C=COC(=O)COCCCCCNC 34a_100000722520_100000036128 [0,0,0,0,0,0|2,0,2]=4 169 B13R0.2 C=COC(=O)COCCOCCCC 34a_100000210238_100000036128 [0,0,0,0,0,0|2,0,2]=4 170 B13R0.2 C=COC(=O)COCCSCCCC 34a_200000230436_100000036128 [0,0,0,0,0,0|2,0,2]=4 171 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000036128_100000210316 [0,0,0,0,0,0|1,0,2]=3 172 B13R0.2 C=COC(=O)CSCCCCCCC 62a_100000210614_100000036128 [0,0,0,0,0,0|1,0,2]=3 173 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100000036128_100015922095 [0,0,0,0,0,0|2,0,2]=4 174 B13R0.2 C=COC(=O)CSCCCCCCF 62a_100015922095_100000036128 [0,0,0,0,0,0|2,0,2]=4 175 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000036128_100000766143 [0,0,0,0,0,0|2,0,2]=4 176 B13R0.2 C=COC(=O)CSCCCCCCO 62a_100000766143_100000036128 [0,0,0,0,0,0|2,0,2]=4 177 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000036128_100000743108 [0,0,0,0,0,0|2,0,2]=4 178 B13R0.2 C=COC(=O)CSCCOCCCC 62a_100000743108_100000036128 [0,0,0,0,0,0|2,0,2]=4 179 B13R0.2 C=COCCCCOCC(=O)OCC 34a_100000031558_100000188475 [0,0,0,0,0,0|2,0,2]=4 180 B13R0.2 C=COCCCCOCC(=O)OCC 7a_100000031558_100000188475 [0,0,0,0,0,0|2,0,2]=4 181 B13R0.2 C=COCCCNCCC(=O)OCC 2230a_100000210767_100011206558 [0,0,0,0,0,0|2,0,2]=4 182 B13R0.2 C=COCCCNCCC(=O)OCC 34a_100000210767_100000765890 [0,0,0,0,0,0|2,0,2]=4 183 B13R0.2 C=COCCOCCCC(=O)OCC 34a_100000033082_100009991533 [0,0,0,0,0,0|2,0,2]=4 184 B13R0.2 C=COCCOCCCC(=O)OCC 7a_100012001163_100000039644 [0,0,0,0,0,0|2,0,2]=4 185 B13R0.2 C=COCCSCCCC(=O)OCC 62a_100000039644_100009991533 [0,0,0,0,0,0|2,0,2]=4 186 B13R0.2 C=COCCSCCCC(=O)OCC 62a_100009991533_100000039644 [0,0,0,0,0,0|2,0,2]=4 187 B13R0.2 CC#CC(=O)CCCC#CCCCC 1458a_100000763181_200000047210 [0,0,0,0,0,0|1,0,3]=4 188 B13R0.2 CC#CC(=O)CCCCCCCCC 1458a_100000763181_100000210670 [0,0,0,0,0,0|1,0,1]=2 189 B13R0.2 CC#CC(=O)CCCCCCCCO 1458a_100000763181_100000033203 [0,0,0,0,0,0|2,0,1]=3 190 B13R0.2 CC#CCCOCCCC(=O)OCC 34a_100000750427_100009991533 [0,0,0,0,0,0|1,0,2]=3 191 B13R0.2 CC#CCNCCCCC(=O)OCC 2230a_100000685387_100000750268 [0,0,0,0,0,0|1,0,2]=3 192 B13R0.2 CC#CCNCCCCC(=O)OCC 34a_100000685387_100000750268 [0,0,0,0,0,0|1,0,2]=3 193 B13R0.2 CC#CCNCCOCC(=O)OCC 2230a_100000685387_100000088970 [0,0,0,0,0,0|2,0,2]=4 194 B13R0.2 CC#CCNCCOCC(=O)OCC 34a_100000685387_100000088970 [0,0,0,0,0,0|2,0,2]=4 195 B13R0.2 CC#CCOCCCCC(=O)OCC 34a_100000761923_100000750268 [0,0,0,0,0,0|1,0,2]=3 196 B13R0.2 CC#CCOCCOCC(=O)OCC 34a_100000761923_100000088970 [0,0,0,0,0,0|2,0,2]=4 197 B13R0.2 CC#CCOCCSCC(=O)OCC 7a_200000230590_100000748600 [0,0,0,0,0,0|2,0,2]=4 198 B13R0.2 CC#CCSCCCCC(=O)OCC 62a_100000748600_100000750268 [0,0,0,0,0,0|1,0,2]=3 199 B13R0.2 CC#CCSCCCCC(=O)OCC 62a_100000750268_100000748600 [0,0,0,0,0,0|1,0,2]=3 200 B13R0.2 CC#CCSCCOCC(=O)OCC 62a_100000088970_100000748600 [0,0,0,0,0,0|2,0,2]=4 201 B13R0.2 CC#CCSCCOCC(=O)OCC 62a_100000748600_100000088970 [0,0,0,0,0,0|2,0,2]=4 202 B13R0.2 CC/C=C/CCCOCC(=O)CCC 7a_100016287902_100000747444 [0,0,0,0,0,0|2,0,2]=4 203 B13R0.2 CC/C=C/CCCOCC(=O)NCC 34a_100016287902_100000183381 [0,0,0,0,0,0|2,0,2]=4 204 B13R0.2 CC/C=C/CCCOCC(=O)NCC 7a_100016287902_100000183381 [0,0,0,0,0,0|2,0,2]=4 205 B13R0.2 CC/C=C/CCCOCC(=O)OCC 34a_100016287902_100000188475 [0,0,0,0,0,0|1,0,2]=3 206 B13R0.2 CC/C=C/CCCOCC(=O)OCC 7a_100016287902_100000188475 [0,0,0,0,0,0|1,0,2]=3 207 B13R0.2 CC/C=C\CCNCCC(=O)NCC 34a_100025743525_100015370543 [0,0,0,0,0,0|2,0,2]=4 208 B13R0.2 CC/C=C\CCOCCC(=O)NCC 7a_100016288707_100000737597 [0,0,0,0,0,0|2,0,2]=4 209 B13R0.2 CC/C=C\CCOCCC(=O)OCC 34a_100016288707_100000765890 [0,0,0,0,0,0|1,0,2]=3 210 B13R0.2 CC/C=C\CCOCCC(=O)OCC 7a_100016288707_100011206558 [0,0,0,0,0,0|1,0,2]=3 211 B13R0.2 CC/C=C\CCSCCC(=O)NCC 62a_100000737597_100015370543 [0,0,0,0,0,0|2,0,2]=4 212 B13R0.2 CC/C=C\CCSCCC(=O)NCC 62a_100015370543_100000737597 [0,0,0,0,0,0|2,0,2]=4 213 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100000765890_100015370543 [0,0,0,0,0,0|1,0,2]=3 214 B13R0.2 CC/C=C\CCSCCC(=O)OCC 62a_100015370543_100000765890 [0,0,0,0,0,0|1,0,2]=3 215 B13R0.2 CC/C=C\CCSCOC(=O)OCC 62a_100015370543_100000075025 [0,0,0,0,0,0|2,0,2]=4 216 B13R0.2 CC/C=C\COCCCC(=O)OCC 34a_100016268518_100009991533 [0,0,0,0,0,0|1,0,2]=3 217 B13R0.2 CC/C=C\COCCCC(=O)OCC 7a_100012001163_100103147603 [0,0,0,0,0,0|1,0,2]=3 218 B13R0.2 CC/C=C\COCCNC(=O)OCC 34a_100000158857_100103147603 [0,0,0,0,0,0|2,0,2]=4 219 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100009991533_100103147603 [0,0,0,0,0,0|1,0,2]=3 220 B13R0.2 CC/C=C\CSCCCC(=O)OCC 62a_100103147603_100009991533 [0,0,0,0,0,0|1,0,2]=3 221 B13R0.2 CC/C=C\CSCCNC(=O)OCC 62a_100103147603_200011445536 [0,0,0,0,0,0|2,0,2]=4 222 B13R0.2 CC=C=CCCOCCC(=O)OCC 34a_100011020354_100000765890 [0,0,0,0,0,0|1,0,3]=4 223 B13R0.2 CC=CC(=O)CCCC#CCCCC 1458a_100000210699_200000047210 [0,0,0,0,0,0|1,0,3]=4 224 B13R0.2 CC=CC(=O)CCCCCCCCC 1458a_100000210699_100000210670 [0,0,0,0,0,0|1,0,1]=2 225 B13R0.2 CC=CC(=O)CCCCCCCCO 1458a_100000210699_100000033203 [0,0,0,0,0,0|2,0,1]=3 226 B13R0.2 CC=CC(=O)NCCCCCCCC 11a_100000229939_100000210699 [0,0,0,0,0,0|2,0,1]=3 227 B13R0.2 CC=CC(=O)NCCCCCCCC 1626a_100000229939_100000210699 [0,0,0,0,0,0|2,0,1]=3 228 B13R0.2 CC=CC(=O)NCCCCCCCC 240690a_100000229939_100000210699 [0,0,0,0,0,0|2,0,1]=3 229 B13R0.2 CC=CC(=O)NCCCCCCCO 240690a_100011996573_100000210699 [0,0,0,0,0,0|3,0,1]=4 230 B13R0.2 CC=CC(=O)NCCCOCCCC 1626a_200000211371_100000210699 [0,0,0,0,0,0|3,0,1]=4 231 B13R0.2 CC=CC(=O)NCCCOCCCC 240690a_200000211371_100000210699 [0,0,0,0,0,0|3,0,1]=4 232 B13R0.2 CC=CCCCOCCC(=O)OCC 34a_100020645299_100000765890 [0,0,0,0,0,0|1,0,2]=3 233 B13R0.2 CC=CCOCCSCC(=O)OCC 7a_200000230590_100000070051 [0,0,0,0,0,0|2,0,2]=4 234 B13R0.2 CC=CCSCCCCC(=O)OCC 62a_100000070051_100000750268 [0,0,0,0,0,0|1,0,2]=3 235 B13R0.2 CC=CCSCCCCC(=O)OCC 62a_100000750268_100000070051 [0,0,0,0,0,0|1,0,2]=3 236 B13R0.2 CC=CCSCCOCC(=O)OCC 62a_100000070051_100000088970 [0,0,0,0,0,0|2,0,2]=4 237 B13R0.2 CC=CCSCCOCC(=O)OCC 62a_100000088970_100000070051 [0,0,0,0,0,0|2,0,2]=4 238 B13R0.2 CCC#CCCOCCC(=O)NCC 7a_100000036655_100000737597 [0,0,0,0,0,0|2,0,2]=4 239 B13R0.2 CCC#CCCOCCC(=O)OCC 34a_100000036655_100000765890 [0,0,0,0,0,0|1,0,2]=3 240 B13R0.2 CCC#CCCOCCC(=O)OCC 7a_100000036655_100011206558 [0,0,0,0,0,0|1,0,2]=3 241 B13R0.2 CCC#CCOCCCC(=O)OCC 34a_100000032950_100009991533 [0,0,0,0,0,0|1,0,2]=3 242 B13R0.2 CCC#CCOCCCC(=O)OCC 7a_100012001163_100009813939 [0,0,0,0,0,0|1,0,2]=3 243 B13R0.2 CCC#CCOCCNC(=O)OCC 34a_100000158857_100009813939 [0,0,0,0,0,0|2,0,2]=4 244 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009813939_100009991533 [0,0,0,0,0,0|1,0,2]=3 245 B13R0.2 CCC#CCSCCCC(=O)OCC 62a_100009991533_100009813939 [0,0,0,0,0,0|1,0,2]=3 246 B13R0.2 CCC#CCSCCNC(=O)OCC 62a_100009813939_200011445536 [0,0,0,0,0,0|2,0,2]=4 247 B13R0.2 CCC/C=C/COCCC(=O)NCC 7a_100016278788_100000737597 [0,0,0,0,0,0|2,0,2]=4 248 B13R0.2 CCC/C=C/COCCC(=O)OCC 34a_100016278788_100000765890 [0,0,0,0,0,0|1,0,2]=3 249 B13R0.2 CCC/C=C/COCCC(=O)OCC 7a_100016278788_100011206558 [0,0,0,0,0,0|1,0,2]=3 250 B13R0.2 CCCC#CCCOCC(=O)CCC 7a_100000042726_100000747444 [0,0,0,0,0,0|2,0,2]=4 251 B13R0.2 CCCC#CCCOCC(=O)NCC 34a_100000042726_100000183381 [0,0,0,0,0,0|2,0,2]=4 252 B13R0.2 CCCC#CCCOCC(=O)NCC 7a_100000042726_100000183381 [0,0,0,0,0,0|2,0,2]=4 253 B13R0.2 CCCC#CCCOCC(=O)OCC 34a_100000042726_100000188475 [0,0,0,0,0,0|1,0,2]=3 254 B13R0.2 CCCC#CCCOCC(=O)OCC 7a_100000042726_100000188475 [0,0,0,0,0,0|1,0,2]=3 255 B13R0.2 CCCC#CCOCCC(=O)NCC 7a_100000034806_100000737597 [0,0,0,0,0,0|2,0,2]=4 256 B13R0.2 CCCC#CCOCCC(=O)OCC 34a_100000034806_100000765890 [0,0,0,0,0,0|1,0,2]=3 257 B13R0.2 CCCC#CCOCCC(=O)OCC 7a_100000034806_100011206558 [0,0,0,0,0,0|1,0,2]=3 258 B13R0.2 CCCC(=O)CCCCCCCCO 1458a_100000211992_100000033203 [0,0,0,0,0,0|2,0,0]=2 259 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100000211992_100000032323 [0,0,0,0,0,0|4,0,0]=4 260 B13R0.2 CCCC(=O)CCOCCOCCO 1458a_100009915118_100000210303 [0,0,0,0,0,0|4,0,0]=4 261 B13R0.2 CCCC(=O)CNCCCCCCO 2230a_100000686447_100000747444 [0,0,0,0,0,0|3,0,0]=3 262 B13R0.2 CCCC(=O)CNCCCCCOC 2230a_100000747528_100000747444 [0,0,0,0,0,0|3,0,0]=3 263 B13R0.2 CCCC(=O)CNCCOCCOC 2230a_100000745349_100000747444 [0,0,0,0,0,0|4,0,0]=4 264 B13R0.2 CCCC(=O)COCCCCCCBr 7a_100011215345_100000747444 [0,0,0,0,0,0|3,0,0]=3 265 B13R0.2 CCCC(=O)COCCCCCCCl 7a_100000766143_100000747444 [0,0,0,0,0,0|3,0,0]=3 266 B13R0.2 CCCC(=O)COCCCCCCF 7a_100000732779_100000747444 [0,0,0,0,0,0|3,0,0]=3 267 B13R0.2 CCCC(=O)COCCOCCOC 1458a_100011214951_100000210303 [0,0,0,0,0,0|4,0,0]=4 268 B13R0.2 CCCC(=O)COCCOCCOC 7a_100011215163_100000747444 [0,0,0,0,0,0|4,0,0]=4 269 B13R0.2 CCCC(=O)CSCCCCCC#N 62a_100000747444_100009813376 [0,0,0,0,0,0|3,0,1]=4 270 B13R0.2 CCCC(=O)CSCCCCCC#N 62a_100009813376_100000747444 [0,0,0,0,0,0|3,0,1]=4 271 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000139337_100000747444 [0,0,0,0,0,0|3,0,1]=4 272 B13R0.2 CCCC(=O)CSCCCCCC=O 62a_100000747444_100000139337 [0,0,0,0,0,0|3,0,1]=4 273 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100000747444_100015922095 [0,0,0,0,0,0|3,0,0]=3 274 B13R0.2 CCCC(=O)CSCCCCCCF 62a_100015922095_100000747444 [0,0,0,0,0,0|3,0,0]=3 275 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000747444_100000766143 [0,0,0,0,0,0|3,0,0]=3 276 B13R0.2 CCCC(=O)CSCCCCCCO 62a_100000766143_100000747444 [0,0,0,0,0,0|3,0,0]=3 277 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000695917_100000747444 [0,0,0,0,0,0|4,0,0]=4 278 B13R0.2 CCCC(=O)CSCCOCCOC 62a_100000747444_100000695917 [0,0,0,0,0,0|4,0,0]=4 279 B13R0.2 CCCC(=O)NCCCCCCCO 240690a_100011996573_100000211992 [0,0,0,0,0,0|3,0,0]=3 280 B13R0.2 CCCC(=O)NCCCOCCCO 240690a_100011310245_100000211992 [0,0,0,0,0,0|4,0,0]=4 281 B13R0.2 CCCC(=O)NCCCOCCOC 1626a_100000206027_100000211992 [0,0,0,0,0,0|4,0,0]=4 282 B13R0.2 CCCC(=O)NCCCOCCOC 240690a_100000206027_100000211992 [0,0,0,0,0,0|4,0,0]=4 283 B13R0.2 CCCC(=O)NCCOCCOCC 11a_100102712874_100000211992 [0,0,0,0,0,0|4,0,0]=4 284 B13R0.2 CCCC(=O)NCCOCCOCC 1626a_100102712874_100000211992 [0,0,0,0,0,0|4,0,0]=4 285 B13R0.2 CCCC(=O)NCCOCCOCC 240690a_100102712874_100000211992 [0,0,0,0,0,0|4,0,0]=4 286 B13R0.2 CCCC(=O)NCCOCCOCC 527a_100102712874_100000211992 [0,0,0,0,0,0|4,0,0]=4 287 B13R0.2 CCCC(=O)OCNCCCCCO 2230a_100000762737_100000034017 [0,0,0,0,0,0|4,0,0]=4 288 B13R0.2 CCCC(=O)OCNCCCCCO 34a_100000762737_100000034017 [0,0,0,0,0,0|4,0,0]=4 289 B13R0.2 CCCC(=O)OCNCCCOCC 2230a_100000210961_100000034017 [0,0,0,0,0,0|4,0,0]=4 290 B13R0.2 CCCC(=O)OCNCCCOCC 34a_100000210961_100000034017 [0,0,0,0,0,0|4,0,0]=4 291 B13R0.2 CCCC(=O)OCOCCCCCBr 34a_100000746331_100000034017 [0,0,0,0,0,0|4,0,0]=4 292 B13R0.2 CCCC(=O)OCOCCCCCCl 34a_100000746330_100000034017 [0,0,0,0,0,0|4,0,0]=4 293 B13R0.2 CCCC(=O)OCOCCCCCI 34a_200012148887_100000034017 [0,0,0,0,0,0|4,0,0]=4 294 B13R0.2 CCCC(=O)OCOCCCCCN 34a_100000762737_100000034017 [0,0,0,0,0,0|4,0,0]=4 295 B13R0.2 CCCC(=O)OCOCCCCOC 34a_100000740925_100000034017 [0,0,0,0,0,0|4,0,0]=4 296 B13R0.2 CCCC(=O)OCOCCCCSC 34a_100011217163_100000034017 [0,0,0,0,0,0|4,0,0]=4 297 B13R0.2 CCCC(=O)OCOCCCOCC 34a_100000757476_100000034017 [0,0,0,0,0,0|4,0,0]=4 298 B13R0.2 CCCC(=O)OCOCCCSCC 34a_100011216438_100000034017 [0,0,0,0,0,0|4,0,0]=4 299 B13R0.2 CCCC(=O)OCSCCCCCF 62a_100000729378_100000034017 [0,0,0,0,0,0|4,0,0]=4 300 B13R0.2 CCCC(=O)OCSCCCCCO 62a_100000746330_100000034017 [0,0,0,0,0,0|4,0,0]=4 301 B13R0.2 CCCC(=O)OCSCCCCOC 62a_100000730899_100000034017 [0,0,0,0,0,0|4,0,0]=4 302 B13R0.2 CCCC(=O)OCSCCCOCC 62a_100012232248_100000034017 [0,0,0,0,0,0|4,0,0]=4 303 B13R0.2 CCCC/C=C/COCC(=O)CCC 7a_200016272032_100000747444 [0,0,0,0,0,0|2,0,2]=4 304 B13R0.2 CCCC/C=C/COCC(=O)NCC 34a_200016272032_100000183381 [0,0,0,0,0,0|2,0,2]=4 305 B13R0.2 CCCC/C=C/COCC(=O)NCC 7a_200016272032_100000183381 [0,0,0,0,0,0|2,0,2]=4 306 B13R0.2 CCCC/C=C/COCC(=O)OCC 34a_200016272032_100000188475 [0,0,0,0,0,0|1,0,2]=3 307 B13R0.2 CCCC/C=C/COCC(=O)OCC 7a_200016272032_100000188475 [0,0,0,0,0,0|1,0,2]=3 308 B13R0.2 CCCCC#CCCCC(=O)CCC 1458a_100000211992_200000047210 [0,0,0,0,0,0|1,0,2]=3 309 B13R0.2 CCCCC#CCCCC(=O)CCO 1458a_100011216618_200000047210 [0,0,0,0,0,0|2,0,2]=4 310 B13R0.2 CCCCC#CCCCC(=O)COC 1458a_100000210968_200000047210 [0,0,0,0,0,0|2,0,2]=4 311 B13R0.2 CCCCC#CCCCC(=O)CSC 1458a_100000184570_200000047210 [0,0,0,0,0,0|2,0,2]=4 312 B13R0.2 CCCCC#CCOCC(=O)CCC 7a_200000034558_100000747444 [0,0,0,0,0,0|2,0,2]=4 313 B13R0.2 CCCCC#CCOCC(=O)NCC 34a_200000034558_100000183381 [0,0,0,0,0,0|2,0,2]=4 314 B13R0.2 CCCCC#CCOCC(=O)NCC 7a_200000034558_100000183381 [0,0,0,0,0,0|2,0,2]=4 315 B13R0.2 CCCCC#CCOCC(=O)OCC 34a_200000034558_100000188475 [0,0,0,0,0,0|1,0,2]=3 316 B13R0.2 CCCCC#CCOCC(=O)OCC 7a_200000034558_100000188475 [0,0,0,0,0,0|1,0,2]=3 317 B13R0.2 CCCCC/C=C/CCC(=O)CCC 1458a_200015255902_100000210303 [0,0,0,0,0,0|1,0,2]=3 318 B13R0.2 CCCCC/C=C/CCC(=O)CCF 1458a_200015255902_100011217306 [0,0,0,0,0,0|2,0,2]=4 319 B13R0.2 CCCCC/C=C/CCC(=O)CCO 1458a_200015255902_100000211926 [0,0,0,0,0,0|2,0,2]=4 320 B13R0.2 CCCCC/C=C/CCC(=O)NCC 11a_100015525214_200015255902 [0,0,0,0,0,0|1,0,2]=3 321 B13R0.2 CCCCC/C=C/CCC(=O)NCC 240690a_100015525214_200015255902 [0,0,0,0,0,0|1,0,2]=3 322 B13R0.2 CCCCC/C=C/CCC(=O)NCC 527a_100015525214_200015255902 [0,0,0,0,0,0|1,0,2]=3 323 B13R0.2 CCCCC/C=C/CCC(=O)NNC 22a_100016993582_200015255902 [0,0,0,0,0,0|2,0,2]=4 324 B13R0.2 CCCCCC/C=C/CC(=O)CCC 1458a_100020681715_100000210303 [0,0,0,0,0,0|1,0,2]=3 325 B13R0.2 CCCCCC/C=C/CC(=O)CCF 1458a_100020681715_100011217306 [0,0,0,0,0,0|2,0,2]=4 326 B13R0.2 CCCCCC/C=C/CC(=O)CCO 1458a_100020681715_100000211926 [0,0,0,0,0,0|2,0,2]=4 327 B13R0.2 CCCCCC/C=C/CC(=O)NCC 11a_100015525214_100020681715 [0,0,0,0,0,0|1,0,2]=3 328 B13R0.2 CCCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020681715 [0,0,0,0,0,0|1,0,2]=3 329 B13R0.2 CCCCCC/C=C/CC(=O)NNC 22a_100016993582_100020681715 [0,0,0,0,0,0|2,0,2]=4 330 B13R0.2 CCCCCCC=NNC(=O)CCC 4a_100000189770_100000234349 [0,0,0,0,0,0|3,0,1]=4 331 B13R0.2 CCCCCCCC=CC(=O)CCC 1458a_200015332781_100000210303 [0,0,0,0,0,0|1,0,2]=3 332 B13R0.2 CCCCCCCC=CC(=O)CCF 1458a_200015332781_100011217306 [0,0,0,0,0,0|2,0,2]=4 333 B13R0.2 CCCCCCCC=CC(=O)CCO 1458a_200015332781_100000211926 [0,0,0,0,0,0|2,0,2]=4 334 B13R0.2 CCCCCCCC=CC(=O)NCC 11a_100015525214_200015332781 [0,0,0,0,0,0|1,0,2]=3 335 B13R0.2 CCCCCCCC=CC(=O)NCC 240690a_100015525214_200015332781 [0,0,0,0,0,0|1,0,2]=3 336 B13R0.2 CCCCCCCC=CC(=O)NNC 22a_100016993582_200015332781 [0,0,0,0,0,0|2,0,2]=4 337 B13R0.2 CCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210670 [0,0,0,0,0,0|2,0,1]=3 338 B13R0.2 CCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210670 [0,0,0,0,0,0|2,0,1]=3 339 B13R0.2 CCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210670 [0,0,0,0,0,0|2,0,1]=3 340 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100000210558_100011214920 [0,0,0,0,0,0|2,0,1]=3 341 B13R0.2 CCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210670 [0,0,0,0,0,0|2,0,1]=3 342 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000210558_100000210303 [0,0,0,0,0,0|1,0,0]=1 343 B13R0.2 CCCCCCCCCC(=O)CCC 1458a_100000211992_100000210670 [0,0,0,0,0,0|1,0,0]=1 344 B13R0.2 CCCCCCCCCC(=O)CCF 1458a_100000210558_100011217306 [0,0,0,0,0,0|2,0,0]=2 345 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100000210558_100000211926 [0,0,0,0,0,0|2,0,0]=2 346 B13R0.2 CCCCCCCCCC(=O)CCO 1458a_100011216618_100000210670 [0,0,0,0,0,0|2,0,0]=2 347 B13R0.2 CCCCCCCCCC(=O)COC 1458a_100000210968_100000210670 [0,0,0,0,0,0|2,0,0]=2 348 B13R0.2 CCCCCCCCCC(=O)CSC 1458a_100000184570_100000210670 [0,0,0,0,0,0|2,0,0]=2 349 B13R0.2 CCCCCCCCCC(=O)NCC 11a_100015525214_100000210558 [0,0,0,0,0,0|1,0,0]=1 350 B13R0.2 CCCCCCCCCC(=O)NCC 240690a_100015525214_100000210558 [0,0,0,0,0,0|1,0,0]=1 351 B13R0.2 CCCCCCCCCC(=O)NCC 527a_100015525214_100000210558 [0,0,0,0,0,0|1,0,0]=1 352 B13R0.2 CCCCCCCCCC(=O)NNC 22a_100016993582_100000210558 [0,0,0,0,0,0|2,0,0]=2 353 B13R0.2 CCCCCCCCCC(C)CNC 270004a_106832991635_200011218516 [0,0,0,0,0,0|3,0,1]=4 354 B13R0.2 CCCCCCCCCC(C)NCC 270004a_100015525214_100011215753 [0,0,0,0,0,0|2,0,1]=3 355 B13R0.2 CCCCCCCCCC(C)OCC 34a_100011218016_100000210202 [0,0,0,0,0,0|1,0,1]=2 356 B13R0.2 CCCCCCCCCC(C)OCC 7a_100011218016_100000210202 [0,0,0,0,0,0|1,0,1]=2 357 B13R0.2 CCCCCCCCCC(C)OCF 34a_100011218016_100015361967 [0,0,0,0,0,0|2,0,1]=3 358 B13R0.2 CCCCCCCCCC(C)OCF 7a_100011218016_100015361967 [0,0,0,0,0,0|2,0,1]=3 359 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000232482_100000210303 [0,0,0,0,0,0|3,0,0]=3 360 B13R0.2 CCCCCCCCCN(C)CCC 2230a_100000747261_100011214924 [0,0,0,0,0,0|3,0,0]=3 361 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000232482_100000210303 [0,0,0,0,0,0|3,0,0]=3 362 B13R0.2 CCCCCCCCCN(C)CCC 269982a_100000747261_100000210670 [0,0,0,0,0,0|3,0,0]=3 363 B13R0.2 CCCCCCCCCN(C)CCF 2230a_100000232482_100011217306 [0,0,0,0,0,0|4,0,0]=4 364 B13R0.2 CCCCCCCCCN(C)CCF 269982a_100000232482_100011217306 [0,0,0,0,0,0|4,0,0]=4 365 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000210263_100011214924 [0,0,0,0,0,0|4,0,0]=4 366 B13R0.2 CCCCCCCCCN(C)CCO 2230a_100000232482_100000211926 [0,0,0,0,0,0|4,0,0]=4 367 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000210263_100000210670 [0,0,0,0,0,0|4,0,0]=4 368 B13R0.2 CCCCCCCCCN(C)CCO 269982a_100000232482_100000211926 [0,0,0,0,0,0|4,0,0]=4 369 B13R0.2 CCCCCCCCCN(C)COC 2230a_100000232482_100000766300 [0,0,0,0,0,0|4,0,0]=4 370 B13R0.2 CCCCCCCCCN(C)COC 269982a_100000232482_100000766300 [0,0,0,0,0,0|4,0,0]=4 371 B13R0.2 CCCCCCCCCN(C)CSC 2230a_100000232482_100011218213 [0,0,0,0,0,0|4,0,0]=4 372 B13R0.2 CCCCCCCCCN(C)CSC 269982a_100000232482_100011218213 [0,0,0,0,0,0|4,0,0]=4 373 B13R0.2 CCCCCCCCNC(=O)C=CBr 1626a_100000229939_100016273825 [0,0,0,0,0,0|3,0,1]=4 374 B13R0.2 CCCCCCCCNC(=O)C=CBr 240690a_100000229939_100016273825 [0,0,0,0,0,0|3,0,1]=4 375 B13R0.2 CCCCCCCCNC(=O)C=CCl 11a_100000229939_200016279998 [0,0,0,0,0,0|3,0,1]=4 376 B13R0.2 CCCCCCCCNC(=O)C=CCl 1626a_100000229939_200016279998 [0,0,0,0,0,0|3,0,1]=4 377 B13R0.2 CCCCCCCCNC(=O)C=CCl 240690a_100000229939_200016279998 [0,0,0,0,0,0|3,0,1]=4 378 B13R0.2 CCCCCCCCNC(=O)C=CI 1626a_100000229939_100016256311 [0,0,0,0,0,0|3,0,1]=4 379 B13R0.2 CCCCCCCCNC(=O)CC#N 1626a_100000229939_100051588842 [0,0,0,0,0,0|3,0,1]=4 380 B13R0.2 CCCCCCCCNC(=O)CC#N 240690a_100000229939_100051588842 [0,0,0,0,0,0|3,0,1]=4 381 B13R0.2 CCCCCCCCNC(=O)CCC 11a_100000229939_100000211992 [0,0,0,0,0,0|2,0,0]=2 382 B13R0.2 CCCCCCCCNC(=O)CCC 1626a_100000229939_100000211992 [0,0,0,0,0,0|2,0,0]=2 383 B13R0.2 CCCCCCCCNC(=O)CCC 240690a_100000229939_100000211992 [0,0,0,0,0,0|2,0,0]=2 384 B13R0.2 CCCCCCCCNC(=O)CCC 527a_100000229939_100000211992 [0,0,0,0,0,0|2,0,0]=2 385 B13R0.2 CCCCCCCCNC(=O)CCO 240690a_100000229939_100011216618 [0,0,0,0,0,0|3,0,0]=3 386 B13R0.2 CCCCCCCCNC(=O)COC 11a_100000229939_100000210968 [0,0,0,0,0,0|3,0,0]=3 387 B13R0.2 CCCCCCCCNC(=O)COC 1626a_100000229939_100000210968 [0,0,0,0,0,0|3,0,0]=3 388 B13R0.2 CCCCCCCCNC(=O)COC 240690a_100000229939_100000210968 [0,0,0,0,0,0|3,0,0]=3 389 B13R0.2 CCCCCCCCNC(=O)COC 527a_100000229939_100000210968 [0,0,0,0,0,0|3,0,0]=3 390 B13R0.2 CCCCCCCCNC(=O)CSC 11a_100000229939_100000184570 [0,0,0,0,0,0|3,0,0]=3 391 B13R0.2 CCCCCCCCNC(=O)CSC 1626a_100000229939_100000184570 [0,0,0,0,0,0|3,0,0]=3 392 B13R0.2 CCCCCCCCNC(=O)CSC 240690a_100000229939_100000184570 [0,0,0,0,0,0|3,0,0]=3 393 B13R0.2 CCCCCCCCNC(=O)CSC 527a_100000229939_100000184570 [0,0,0,0,0,0|3,0,0]=3 394 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100000229939_100015525214 [0,0,0,0,0,0|2,0,0]=2 395 B13R0.2 CCCCCCCCNC(=O)NCC 2708a_100015525214_100000229939 [0,0,0,0,0,0|2,0,0]=2 396 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100000229939_100015525214 [0,0,0,0,0,0|2,0,0]=2 397 B13R0.2 CCCCCCCCNC(=O)NCC 273464a_100015525214_100000229939 [0,0,0,0,0,0|2,0,0]=2 398 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100000229939_100015525214 [0,0,0,0,0,0|2,0,0]=2 399 B13R0.2 CCCCCCCCNC(=O)NCC 512a_100015525214_100000229939 [0,0,0,0,0,0|2,0,0]=2 400 B13R0.2 CCCCCCCCNC(=O)NNC 273464a_100000229939_100016993582 [0,0,0,0,0,0|3,0,0]=3 401 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100000229939_100016993582 [0,0,0,0,0,0|3,0,0]=3 402 B13R0.2 CCCCCCCCNC(=O)NNC 512a_100016993582_100000229939 [0,0,0,0,0,0|3,0,0]=3 403 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000229939_100000766640 [0,0,0,0,0,0|3,0,1]=4 404 B13R0.2 CCCCCCCCNC(C)CCC 2230a_100000741246_100000210759 [0,0,0,0,0,0|3,0,1]=4 405 B13R0.2 CCCCCCCCNC(C)CCC 270004a_100000229939_100000211909 [0,0,0,0,0,0|3,0,1]=4 406 B13R0.2 CCCCCCCCNC(C)CCC 34a_100000229939_100000766640 [0,0,0,0,0,0|3,0,1]=4 407 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000210232_100000766640 [0,0,0,0,0,0|3,0,1]=4 408 B13R0.2 CCCCCCCCOC(C)CCC 34a_100000764384_100000210759 [0,0,0,0,0,0|3,0,1]=4 409 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000210232_100000766640 [0,0,0,0,0,0|3,0,1]=4 410 B13R0.2 CCCCCCCCOC(C)CCC 7a_100000764384_100000210759 [0,0,0,0,0,0|3,0,1]=4 411 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000210759_100000766640 [0,0,0,0,0,0|3,0,1]=4 412 B13R0.2 CCCCCCCCSC(C)CCC 62a_100000766640_100000210317 [0,0,0,0,0,0|3,0,1]=4 413 B13R0.2 CCCCCCCNCC(=O)CCC 2230a_100000229938_100000747444 [0,0,0,0,0,0|2,0,0]=2 414 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100000229938_100000183381 [0,0,0,0,0,0|2,0,0]=2 415 B13R0.2 CCCCCCCNCC(=O)NCC 2230a_100016988866_100000210681 [0,0,0,0,0,0|2,0,0]=2 416 B13R0.2 CCCCCCCNCC(=O)NCO 2230a_100000229938_100000185155 [0,0,0,0,0,0|3,0,0]=3 417 B13R0.2 CCCCCCCNCC(=O)OCC 2230a_100000229938_100000188475 [0,0,0,0,0,0|1,0,0]=1 418 B13R0.2 CCCCCCCNCC(C)CCC 2230a_100000229938_100011216630 [0,0,0,0,0,0|3,0,1]=4 419 B13R0.2 CCCCCCCNCC(C)CCC 270004a_100000229938_100000243154 [0,0,0,0,0,0|3,0,1]=4 420 B13R0.2 CCCCCCCOCC(=O)CCC 7a_100000210272_100000747444 [0,0,0,0,0,0|2,0,0]=2 421 B13R0.2 CCCCCCCOCC(=O)NCC 34a_100000210272_100000183381 [0,0,0,0,0,0|2,0,0]=2 422 B13R0.2 CCCCCCCOCC(=O)NCC 7a_100000210272_100000183381 [0,0,0,0,0,0|2,0,0]=2 423 B13R0.2 CCCCCCCOCC(=O)NCO 34a_100000210272_100000185155 [0,0,0,0,0,0|3,0,0]=3 424 B13R0.2 CCCCCCCOCC(=O)NCO 7a_100000210272_100000185155 [0,0,0,0,0,0|3,0,0]=3 425 B13R0.2 CCCCCCCOCC(=O)OCC 34a_100000210272_100000188475 [0,0,0,0,0,0|1,0,0]=1 426 B13R0.2 CCCCCCCOCC(=O)OCC 7a_100000210272_100000188475 [0,0,0,0,0,0|1,0,0]=1 427 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000210272_100011216630 [0,0,0,0,0,0|3,0,1]=4 428 B13R0.2 CCCCCCCOCC(C)CCC 34a_100000688023_100000210614 [0,0,0,0,0,0|3,0,1]=4 429 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000210272_100011216630 [0,0,0,0,0,0|3,0,1]=4 430 B13R0.2 CCCCCCCOCC(C)CCC 7a_100000688023_100000210614 [0,0,0,0,0,0|3,0,1]=4 431 B13R0.2 CCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210614 [0,0,0,0,0,0|3,0,1]=4 432 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000210614_100000747444 [0,0,0,0,0,0|2,0,0]=2 433 B13R0.2 CCCCCCCSCC(=O)CCC 62a_100000747444_100000210316 [0,0,0,0,0,0|2,0,0]=2 434 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000183381_100000210316 [0,0,0,0,0,0|2,0,0]=2 435 B13R0.2 CCCCCCCSCC(=O)NCC 62a_100000210614_100000183381 [0,0,0,0,0,0|2,0,0]=2 436 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000185155_100000210316 [0,0,0,0,0,0|3,0,0]=3 437 B13R0.2 CCCCCCCSCC(=O)NCO 62a_100000210614_100000185155 [0,0,0,0,0,0|3,0,0]=3 438 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000188475_100000210316 [0,0,0,0,0,0|1,0,0]=1 439 B13R0.2 CCCCCCCSCC(=O)OCC 62a_100000210614_100000188475 [0,0,0,0,0,0|1,0,0]=1 440 B13R0.2 CCCCCCCSCC(C)CCC 62a_100000210614_100011216630 [0,0,0,0,0,0|3,0,1]=4 441 B13R0.2 CCCCCCCSCC(C)CCC 62a_100011216630_100000210316 [0,0,0,0,0,0|3,0,1]=4 442 B13R0.2 CCCCCCNCCC(=O)NCC 2230a_100000210581_100000737597 [0,0,0,0,0,0|2,0,0]=2 443 B13R0.2 CCCCCCNCCC(=O)NCC 34a_100025743525_100000210314 [0,0,0,0,0,0|2,0,0]=2 444 B13R0.2 CCCCCCNCCC(=O)OCC 2230a_100000210581_100011206558 [0,0,0,0,0,0|1,0,0]=1 445 B13R0.2 CCCCCCNCOC(=O)CCC 2230a_100000210581_100000034017 [0,0,0,0,0,0|3,0,0]=3 446 B13R0.2 CCCCCCOCCC(=O)NCC 7a_100000210259_100000737597 [0,0,0,0,0,0|2,0,0]=2 447 B13R0.2 CCCCCCOCCC(=O)OCC 34a_100000210259_100000765890 [0,0,0,0,0,0|1,0,0]=1 448 B13R0.2 CCCCCCOCCC(=O)OCC 7a_100000210259_100011206558 [0,0,0,0,0,0|1,0,0]=1 449 B13R0.2 CCCCCCOCCC(C)CCC 34a_100011217855_100000210314 [0,0,0,0,0,0|3,0,1]=4 450 B13R0.2 CCCCCCOCCC(C)CCC 7a_100011217855_100000210314 [0,0,0,0,0,0|3,0,1]=4 451 B13R0.2 CCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210314 [0,0,0,0,0,0|3,0,1]=4 452 B13R0.2 CCCCCCOCOC(=O)CCC 34a_100000210259_100000034017 [0,0,0,0,0,0|3,0,0]=3 453 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000210314_100000737597 [0,0,0,0,0,0|2,0,0]=2 454 B13R0.2 CCCCCCSCCC(=O)NCC 62a_100000737597_100000210757 [0,0,0,0,0,0|2,0,0]=2 455 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000210314_100000765890 [0,0,0,0,0,0|1,0,0]=1 456 B13R0.2 CCCCCCSCCC(=O)OCC 62a_100000765890_100000210757 [0,0,0,0,0,0|1,0,0]=1 457 B13R0.2 CCCCCCSCOC(=O)CCC 62a_100000210314_100000034017 [0,0,0,0,0,0|3,0,0]=3 458 B13R0.2 CCCCCCSCOC(=O)OCC 62a_100000210314_100000075025 [0,0,0,0,0,0|2,0,0]=2 459 B13R0.2 CCCCCNC/C=C/C(=O)OCC 2230a_100000209983_100016267167 [0,0,0,0,0,0|1,0,2]=3 460 B13R0.2 CCCCCNCCCC(=O)OCC 2230a_100000209983_100009991533 [0,0,0,0,0,0|1,0,0]=1 461 B13R0.2 CCCCCNN=C[CH-]C(=O)OCC 4a_100000694160_100010622808 [0,0,0,0,0,0|2,0,2]=4 462 B13R0.2 CCCCCOC/C=C/C(=O)OCC 34a_100000210253_100016267167 [0,0,0,0,0,0|1,0,2]=3 463 B13R0.2 CCCCCOC/C=C/C(=O)OCC 7a_100000210253_100016267167 [0,0,0,0,0,0|1,0,2]=3 464 B13R0.2 CCCCCOCCCC(=O)OCC 34a_100000210253_100009991533 [0,0,0,0,0,0|1,0,0]=1 465 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100000210253_100011215271 [0,0,0,0,0,0|1,0,0]=1 466 B13R0.2 CCCCCOCCCC(=O)OCC 7a_100012001163_100000210326 [0,0,0,0,0,0|1,0,0]=1 467 B13R0.2 CCCCCOCCCC(C)CCC 34a_100011713154_100000718602 [0,0,0,0,0,0|3,0,1]=4 468 B13R0.2 CCCCCOCCCC(C)CCC 7a_100011713154_100000210326 [0,0,0,0,0,0|3,0,1]=4 469 B13R0.2 CCCCCOCCNC(=O)OCC 34a_100000158857_100000718602 [0,0,0,0,0,0|2,0,0]=2 470 B13R0.2 CCCCCOCCNC(=O)OCC 7a_100000210253_200011445536 [0,0,0,0,0,0|2,0,0]=2 471 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100000210326_100016267167 [0,0,0,0,0,0|1,0,2]=3 472 B13R0.2 CCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210326 [0,0,0,0,0,0|1,0,2]=3 473 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100000210326_100009991533 [0,0,0,0,0,0|1,0,0]=1 474 B13R0.2 CCCCCSCCCC(=O)OCC 62a_100009991533_100000210326 [0,0,0,0,0,0|1,0,0]=1 475 B13R0.2 CCCCCSCCNC(=O)OCC 62a_100000210326_200011445536 [0,0,0,0,0,0|2,0,0]=2 476 B13R0.2 CCCCNCCCCC(=O)OCC 2230a_100000102301_100000750268 [0,0,0,0,0,0|1,0,0]=1 477 B13R0.2 CCCCNCCCCC(=O)OCC 7a_106832991798_100000750268 [0,0,0,0,0,0|1,0,0]=1 478 B13R0.2 CCCCNCCOCC(=O)OCC 2230a_100000102301_100000088970 [0,0,0,0,0,0|2,0,0]=2 479 B13R0.2 CCCCNCCOCC(=O)OCC 7a_106832991798_100000088970 [0,0,0,0,0,0|2,0,0]=2 480 B13R0.2 CCCCOCCCCC(=O)OCC 34a_100000210227_100000750268 [0,0,0,0,0,0|1,0,0]=1 481 B13R0.2 CCCCOCCCCC(=O)OCC 7a_100000210227_100000750268 [0,0,0,0,0,0|1,0,0]=1 482 B13R0.2 CCCCOCCCNC(=O)CCC 1626a_200000211371_100000211992 [0,0,0,0,0,0|3,0,0]=3 483 B13R0.2 CCCCOCCCNC(=O)CCC 240690a_200000211371_100000211992 [0,0,0,0,0,0|3,0,0]=3 484 B13R0.2 CCCCOCCCNC(=O)CCC 527a_200000211371_100000211992 [0,0,0,0,0,0|3,0,0]=3 485 B13R0.2 CCCCOCCCNC(=O)CCO 240690a_200000211371_100011216618 [0,0,0,0,0,0|4,0,0]=4 486 B13R0.2 CCCCOCCCNC(=O)COC 1626a_200000211371_100000210968 [0,0,0,0,0,0|4,0,0]=4 487 B13R0.2 CCCCOCCCNC(=O)COC 240690a_200000211371_100000210968 [0,0,0,0,0,0|4,0,0]=4 488 B13R0.2 CCCCOCCCNC(=O)COC 527a_200000211371_100000210968 [0,0,0,0,0,0|4,0,0]=4 489 B13R0.2 CCCCOCCCNC(=O)CSC 1626a_200000211371_100000184570 [0,0,0,0,0,0|4,0,0]=4 490 B13R0.2 CCCCOCCCNC(=O)CSC 240690a_200000211371_100000184570 [0,0,0,0,0,0|4,0,0]=4 491 B13R0.2 CCCCOCCCNC(=O)CSC 527a_200000211371_100000184570 [0,0,0,0,0,0|4,0,0]=4 492 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_100015525214_200000211371 [0,0,0,0,0,0|3,0,0]=3 493 B13R0.2 CCCCOCCCNC(=O)NCC 2708a_200000211371_100015525214 [0,0,0,0,0,0|3,0,0]=3 494 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_100015525214_200000211371 [0,0,0,0,0,0|3,0,0]=3 495 B13R0.2 CCCCOCCCNC(=O)NCC 273464a_200000211371_100015525214 [0,0,0,0,0,0|3,0,0]=3 496 B13R0.2 CCCCOCCCNC(=O)NCC 512a_100015525214_200000211371 [0,0,0,0,0,0|3,0,0]=3 497 B13R0.2 CCCCOCCCNC(=O)NCC 512a_200000211371_100015525214 [0,0,0,0,0,0|3,0,0]=3 498 B13R0.2 CCCCOCCCNC(=O)NNC 273464a_200000211371_100016993582 [0,0,0,0,0,0|4,0,0]=4 499 B13R0.2 CCCCOCCCNC(=O)NNC 512a_100016993582_200000211371 [0,0,0,0,0,0|4,0,0]=4 500 B13R0.2 CCCCOCCCNC(=O)NNC 512a_200000211371_100016993582 [0,0,0,0,0,0|4,0,0]=4 501 B13R0.2 CCCCOCCNCC(=O)NCC 2230a_100016988866_100000743108 [0,0,0,0,0,0|3,0,0]=3 502 B13R0.2 CCCCOCCOCC(=O)CCC 1458a_100011216887_100000210303 [0,0,0,0,0,0|3,0,0]=3 503 B13R0.2 CCCCOCCOCC(=O)CCC 7a_100000210238_100000747444 [0,0,0,0,0,0|3,0,0]=3 504 B13R0.2 CCCCOCCOCC(=O)CCF 1458a_100011216887_100011217306 [0,0,0,0,0,0|4,0,0]=4 505 B13R0.2 CCCCOCCOCC(=O)CCO 1458a_100011216887_100000211926 [0,0,0,0,0,0|4,0,0]=4 506 B13R0.2 CCCCOCCOCC(=O)NCC 11a_100015525214_100011216887 [0,0,0,0,0,0|3,0,0]=3 507 B13R0.2 CCCCOCCOCC(=O)NCC 240690a_100015525214_100011216887 [0,0,0,0,0,0|3,0,0]=3 508 B13R0.2 CCCCOCCOCC(=O)NCC 34a_100000210238_100000183381 [0,0,0,0,0,0|3,0,0]=3 509 B13R0.2 CCCCOCCOCC(=O)NCC 527a_100015525214_100011216887 [0,0,0,0,0,0|3,0,0]=3 510 B13R0.2 CCCCOCCOCC(=O)NCC 7a_100000210238_100000183381 [0,0,0,0,0,0|3,0,0]=3 511 B13R0.2 CCCCOCCOCC(=O)NCO 34a_100000210238_100000185155 [0,0,0,0,0,0|4,0,0]=4 512 B13R0.2 CCCCOCCOCC(=O)NCO 7a_100000210238_100000185155 [0,0,0,0,0,0|4,0,0]=4 513 B13R0.2 CCCCOCCOCC(=O)NNC 22a_100016993582_100011216887 [0,0,0,0,0,0|4,0,0]=4 514 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210227_100000088970 [0,0,0,0,0,0|2,0,0]=2 515 B13R0.2 CCCCOCCOCC(=O)OCC 34a_100000210238_100000188475 [0,0,0,0,0,0|2,0,0]=2 516 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210227_100000088970 [0,0,0,0,0,0|2,0,0]=2 517 B13R0.2 CCCCOCCOCC(=O)OCC 7a_100000210238_100000188475 [0,0,0,0,0,0|2,0,0]=2 518 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000743108_100000747444 [0,0,0,0,0,0|3,0,0]=3 519 B13R0.2 CCCCOCCSCC(=O)CCC 62a_100000747444_100000743108 [0,0,0,0,0,0|3,0,0]=3 520 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000183381_100000743108 [0,0,0,0,0,0|3,0,0]=3 521 B13R0.2 CCCCOCCSCC(=O)NCC 62a_100000743108_100000183381 [0,0,0,0,0,0|3,0,0]=3 522 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000185155_100000743108 [0,0,0,0,0,0|4,0,0]=4 523 B13R0.2 CCCCOCCSCC(=O)NCO 62a_100000743108_100000185155 [0,0,0,0,0,0|4,0,0]=4 524 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000188475_100000743108 [0,0,0,0,0,0|2,0,0]=2 525 B13R0.2 CCCCOCCSCC(=O)OCC 62a_100000743108_100000188475 [0,0,0,0,0,0|2,0,0]=2 526 B13R0.2 CCCCOCCSCC(=O)OCC 7a_200000230590_100000210211 [0,0,0,0,0,0|2,0,0]=2 527 B13R0.2 CCCCOCNCCC(=O)NCC 34a_100025743525_100011995733 [0,0,0,0,0,0|3,0,0]=3 528 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100000737597_100011995733 [0,0,0,0,0,0|3,0,0]=3 529 B13R0.2 CCCCOCSCCC(=O)NCC 62a_100011995733_100000737597 [0,0,0,0,0,0|3,0,0]=3 530 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100000765890_100011995733 [0,0,0,0,0,0|2,0,0]=2 531 B13R0.2 CCCCOCSCCC(=O)OCC 62a_100011995733_100000765890 [0,0,0,0,0,0|2,0,0]=2 532 B13R0.2 CCCCOCSCOC(=O)CCC 62a_100011995733_100000034017 [0,0,0,0,0,0|4,0,0]=4 533 B13R0.2 CCCCOCSCOC(=O)OCC 62a_100011995733_100000075025 [0,0,0,0,0,0|3,0,0]=3 534 B13R0.2 CCCCSCC=NNC(=O)OCC 62a_100000210211_100015372823 [0,0,0,0,0,0|3,0,1]=4 535 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000210211_100000750268 [0,0,0,0,0,0|1,0,0]=1 536 B13R0.2 CCCCSCCCCC(=O)OCC 62a_100000750268_100000210210 [0,0,0,0,0,0|1,0,0]=1 537 B13R0.2 CCCCSCCNCC(=O)CCC 2230a_100025743550_100000747444 [0,0,0,0,0,0|3,0,0]=3 538 B13R0.2 CCCCSCCNCC(=O)NCC 2230a_100025743550_100000183381 [0,0,0,0,0,0|3,0,0]=3 539 B13R0.2 CCCCSCCNCC(=O)NCO 2230a_100025743550_100000185155 [0,0,0,0,0,0|4,0,0]=4 540 B13R0.2 CCCCSCCNCC(=O)OCC 2230a_100025743550_100000188475 [0,0,0,0,0,0|2,0,0]=2 541 B13R0.2 CCCCSCCOCC(=O)CCC 7a_200000230436_100000747444 [0,0,0,0,0,0|3,0,0]=3 542 B13R0.2 CCCCSCCOCC(=O)NCC 34a_200000230436_100000183381 [0,0,0,0,0,0|3,0,0]=3 543 B13R0.2 CCCCSCCOCC(=O)NCC 7a_200000230436_100000183381 [0,0,0,0,0,0|3,0,0]=3 544 B13R0.2 CCCCSCCOCC(=O)NCO 34a_200000230436_100000185155 [0,0,0,0,0,0|4,0,0]=4 545 B13R0.2 CCCCSCCOCC(=O)NCO 7a_200000230436_100000185155 [0,0,0,0,0,0|4,0,0]=4 546 B13R0.2 CCCCSCCOCC(=O)OCC 34a_200000230436_100000188475 [0,0,0,0,0,0|2,0,0]=2 547 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000088970_100000210210 [0,0,0,0,0,0|2,0,0]=2 548 B13R0.2 CCCCSCCOCC(=O)OCC 62a_100000210211_100000088970 [0,0,0,0,0,0|2,0,0]=2 549 B13R0.2 CCCCSCCOCC(=O)OCC 7a_200000230436_100000188475 [0,0,0,0,0,0|2,0,0]=2 550 B13R0.2 CCCN(C)CCCCCCCCO 2230a_100000747261_100000033203 [0,0,0,0,0,0|4,0,0]=4 551 B13R0.2 CCCN(C)CCCCCCCCO 269982a_100000747261_100000033203 [0,0,0,0,0,0|4,0,0]=4 552 B13R0.2 CCCOCCCCCC(=O)OCC 34a_100000210258_100000755133 [0,0,0,0,0,0|1,0,0]=1 553 B13R0.2 CCCOCCCCCC(=O)OCC 7a_100011214988_100000210303 [0,0,0,0,0,0|1,0,0]=1 554 B13R0.2 CCCOCCCNCC(=O)CCC 2230a_100011217757_100000747444 [0,0,0,0,0,0|3,0,0]=3 555 B13R0.2 CCCOCCCNCC(=O)NCC 2230a_100011217757_100000183381 [0,0,0,0,0,0|3,0,0]=3 556 B13R0.2 CCCOCCCNCC(=O)NCC 34a_100011217757_100000183381 [0,0,0,0,0,0|3,0,0]=3 557 B13R0.2 CCCOCCCNCC(=O)NCO 2230a_100011217757_100000185155 [0,0,0,0,0,0|4,0,0]=4 558 B13R0.2 CCCOCCCNCC(=O)NCO 34a_100011217757_100000185155 [0,0,0,0,0,0|4,0,0]=4 559 B13R0.2 CCCOCCCNCC(=O)OCC 2230a_100011217757_100000188475 [0,0,0,0,0,0|2,0,0]=2 560 B13R0.2 CCCOCCCNCC(=O)OCC 34a_100011217757_100000188475 [0,0,0,0,0,0|2,0,0]=2 561 B13R0.2 CCCOCCCOCC(=O)OCC 34a_100000210258_100009893628 [0,0,0,0,0,0|2,0,0]=2 562 B13R0.2 CCCOCCNCCC(=O)NCC 2230a_100161115042_100000737597 [0,0,0,0,0,0|3,0,0]=3 563 B13R0.2 CCCOCCNCCC(=O)NCC 34a_100025743525_100011215938 [0,0,0,0,0,0|3,0,0]=3 564 B13R0.2 CCCOCCNCCC(=O)OCC 2230a_100161115042_100011206558 [0,0,0,0,0,0|2,0,0]=2 565 B13R0.2 CCCOCCNCCC(=O)OCC 34a_100161115042_100000765890 [0,0,0,0,0,0|2,0,0]=2 566 B13R0.2 CCCOCCNCOC(=O)CCC 2230a_100161115042_100000034017 [0,0,0,0,0,0|4,0,0]=4 567 B13R0.2 CCCOCCNCOC(=O)CCC 34a_100161115042_100000034017 [0,0,0,0,0,0|4,0,0]=4 568 B13R0.2 CCCOCCOCCC(=O)NCC 7a_100000752267_100000737597 [0,0,0,0,0,0|3,0,0]=3 569 B13R0.2 CCCOCCOCCC(=O)OCC 34a_100000752267_100000765890 [0,0,0,0,0,0|2,0,0]=2 570 B13R0.2 CCCOCCOCCC(=O)OCC 7a_100000752267_100011206558 [0,0,0,0,0,0|2,0,0]=2 571 B13R0.2 CCCOCCOCOC(=O)CCC 34a_100000752267_100000034017 [0,0,0,0,0,0|4,0,0]=4 572 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100000737597_100011215938 [0,0,0,0,0,0|3,0,0]=3 573 B13R0.2 CCCOCCSCCC(=O)NCC 62a_100011215938_100000737597 [0,0,0,0,0,0|3,0,0]=3 574 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100000765890_100011215938 [0,0,0,0,0,0|2,0,0]=2 575 B13R0.2 CCCOCCSCCC(=O)OCC 62a_100011215938_100000765890 [0,0,0,0,0,0|2,0,0]=2 576 B13R0.2 CCCOCCSCOC(=O)CCC 62a_100011215938_100000034017 [0,0,0,0,0,0|4,0,0]=4 577 B13R0.2 CCCOCCSCOC(=O)OCC 62a_100011215938_100000075025 [0,0,0,0,0,0|3,0,0]=3 578 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000210303_100000755133 [0,0,0,0,0,0|1,0,0]=1 579 B13R0.2 CCCSCCCCCC(=O)OCC 62a_100000755133_100000210303 [0,0,0,0,0,0|1,0,0]=1 580 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100000210303_100009893628 [0,0,0,0,0,0|2,0,0]=2 581 B13R0.2 CCCSCCCOCC(=O)OCC 62a_100009893628_100000210303 [0,0,0,0,0,0|2,0,0]=2 582 B13R0.2 CCCSCCNCCC(=O)NCC 2230a_100020603323_100000737597 [0,0,0,0,0,0|3,0,0]=3 583 B13R0.2 CCCSCCNCCC(=O)OCC 2230a_100020603323_100011206558 [0,0,0,0,0,0|2,0,0]=2 584 B13R0.2 CCCSCCNCOC(=O)CCC 2230a_100020603323_100000034017 [0,0,0,0,0,0|4,0,0]=4 585 B13R0.2 CCCSCCOCCC(=O)NCC 7a_200000230433_100000737597 [0,0,0,0,0,0|3,0,0]=3 586 B13R0.2 CCCSCCOCCC(=O)OCC 34a_200000230433_100000765890 [0,0,0,0,0,0|2,0,0]=2 587 B13R0.2 CCCSCCOCCC(=O)OCC 7a_200000230433_100011206558 [0,0,0,0,0,0|2,0,0]=2 588 B13R0.2 CCCSCCOCOC(=O)CCC 34a_200000230433_100000034017 [0,0,0,0,0,0|4,0,0]=4 589 B13R0.2 CCNC(=O)CCCCCCCCO 240690a_100015525214_100000015970 [0,0,0,0,0,0|2,0,0]=2 590 B13R0.2 CCNC(=O)CCNCCCCCF 34a_100025743525_100000729378 [0,0,0,0,0,0|3,0,0]=3 591 B13R0.2 CCNC(=O)CCNCCCCCO 2230a_100000762737_100000737597 [0,0,0,0,0,0|3,0,0]=3 592 B13R0.2 CCNC(=O)CCNCCCCCO 34a_100025743525_100000746330 [0,0,0,0,0,0|3,0,0]=3 593 B13R0.2 CCNC(=O)CCNCCCCOC 34a_100025743525_100000755781 [0,0,0,0,0,0|3,0,0]=3 594 B13R0.2 CCNC(=O)CCNCCCOCC 2230a_100000210961_100000737597 [0,0,0,0,0,0|3,0,0]=3 595 B13R0.2 CCNC(=O)CCNCCCOCC 34a_100025743525_100012232248 [0,0,0,0,0,0|3,0,0]=3 596 B13R0.2 CCNC(=O)CCNCCOCCO 2230a_100000211614_100000737597 [0,0,0,0,0,0|4,0,0]=4 597 B13R0.2 CCNC(=O)CCNCCOCCO 34a_100025743525_100000692535 [0,0,0,0,0,0|4,0,0]=4 598 B13R0.2 CCNC(=O)CCNCCSCCO 2230a_100011219999_100000737597 [0,0,0,0,0,0|4,0,0]=4 599 B13R0.2 CCNC(=O)CCOCCCCCBr 7a_100000746331_100000737597 [0,0,0,0,0,0|3,0,0]=3 600 B13R0.2 CCNC(=O)CCOCCCCCCl 7a_100000746330_100000737597 [0,0,0,0,0,0|3,0,0]=3 601 B13R0.2 CCNC(=O)CCOCCCCCI 7a_200012148887_100000737597 [0,0,0,0,0,0|3,0,0]=3 602 B13R0.2 CCNC(=O)CCOCCCCSC 7a_100011217163_100000737597 [0,0,0,0,0,0|3,0,0]=3 603 B13R0.2 CCNC(=O)CCOCCCOCC 7a_100000757476_100000737597 [0,0,0,0,0,0|3,0,0]=3 604 B13R0.2 CCNC(=O)CCOCCCSCC 7a_100011216438_100000737597 [0,0,0,0,0,0|3,0,0]=3 605 B13R0.2 CCNC(=O)CCOCCOCCBr 7a_100000692535_100000737597 [0,0,0,0,0,0|4,0,0]=4 606 B13R0.2 CCNC(=O)CCOCCOCCCl 7a_100011215305_100000737597 [0,0,0,0,0,0|4,0,0]=4 607 B13R0.2 CCNC(=O)CCOCCOCCF 7a_200015357709_100000737597 [0,0,0,0,0,0|4,0,0]=4 608 B13R0.2 CCNC(=O)CCOCCOCCI 7a_100012149058_100000737597 [0,0,0,0,0,0|4,0,0]=4 609 B13R0.2 CCNC(=O)CCOCCOCCO 240690a_100015525214_100009915118 [0,0,0,0,0,0|4,0,0]=4 610 B13R0.2 CCNC(=O)CCSCCCCC#N 62a_100000737597_100000211819 [0,0,0,0,0,0|3,0,1]=4 611 B13R0.2 CCNC(=O)CCSCCCCC#N 62a_100011219923_100000737597 [0,0,0,0,0,0|3,0,1]=4 612 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000139335_100000737597 [0,0,0,0,0,0|3,0,1]=4 613 B13R0.2 CCNC(=O)CCSCCCCC=O 62a_100000737597_100000139335 [0,0,0,0,0,0|3,0,1]=4 614 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000729378_100000737597 [0,0,0,0,0,0|3,0,0]=3 615 B13R0.2 CCNC(=O)CCSCCCCCF 62a_100000737597_100000729378 [0,0,0,0,0,0|3,0,0]=3 616 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000737597_100000746330 [0,0,0,0,0,0|3,0,0]=3 617 B13R0.2 CCNC(=O)CCSCCCCCO 62a_100000746330_100000737597 [0,0,0,0,0,0|3,0,0]=3 618 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000730899_100000737597 [0,0,0,0,0,0|3,0,0]=3 619 B13R0.2 CCNC(=O)CCSCCCCOC 62a_100000737597_100000730899 [0,0,0,0,0,0|3,0,0]=3 620 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100000737597_100012232248 [0,0,0,0,0,0|3,0,0]=3 621 B13R0.2 CCNC(=O)CCSCCCOCC 62a_100012232248_100000737597 [0,0,0,0,0,0|3,0,0]=3 622 B13R0.2 CCNC(=O)CCSCCOCCO 62a_100000737597_100011215305 [0,0,0,0,0,0|4,0,0]=4 623 B13R0.2 CCNC(=O)CCSCCOCCO 62a_100011215305_100000737597 [0,0,0,0,0,0|4,0,0]=4 624 B13R0.2 CCNC(=O)CCSCOCCOC 62a_100000231047_100000737597 [0,0,0,0,0,0|4,0,0]=4 625 B13R0.2 CCNC(=O)CCSCOCCOC 62a_100000737597_100000231047 [0,0,0,0,0,0|4,0,0]=4 626 B13R0.2 CCNC(=O)CNCCCCCC#N 2230a_100016988866_100009813376 [0,0,0,0,0,0|3,0,1]=4 627 B13R0.2 CCNC(=O)CNCCCCCC=O 2230a_100016988866_100000139337 [0,0,0,0,0,0|3,0,1]=4 628 B13R0.2 CCNC(=O)CNCCCCCCF 2230a_100016988866_100015922095 [0,0,0,0,0,0|3,0,0]=3 629 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100000686447_100000183381 [0,0,0,0,0,0|3,0,0]=3 630 B13R0.2 CCNC(=O)CNCCCCCCO 2230a_100016988866_100000766143 [0,0,0,0,0,0|3,0,0]=3 631 B13R0.2 CCNC(=O)CNCCCCCCO 34a_100000686447_100000183381 [0,0,0,0,0,0|3,0,0]=3 632 B13R0.2 CCNC(=O)CNCCCCCOC 2230a_100000747528_100000183381 [0,0,0,0,0,0|3,0,0]=3 633 B13R0.2 CCNC(=O)CNCCCCCOC 34a_100000747528_100000183381 [0,0,0,0,0,0|3,0,0]=3 634 B13R0.2 CCNC(=O)CNCCOCCOC 2230a_100000745349_100000183381 [0,0,0,0,0,0|4,0,0]=4 635 B13R0.2 CCNC(=O)CNCCOCCOC 2230a_100016988866_100000695917 [0,0,0,0,0,0|4,0,0]=4 636 B13R0.2 CCNC(=O)CNCCOCCOC 34a_100000745349_100000183381 [0,0,0,0,0,0|4,0,0]=4 637 B13R0.2 CCNC(=O)COCCCCCCBr 34a_100011215345_100000183381 [0,0,0,0,0,0|3,0,0]=3 638 B13R0.2 CCNC(=O)COCCCCCCBr 7a_100011215345_100000183381 [0,0,0,0,0,0|3,0,0]=3 639 B13R0.2 CCNC(=O)COCCCCCCCl 34a_100000766143_100000183381 [0,0,0,0,0,0|3,0,0]=3 640 B13R0.2 CCNC(=O)COCCCCCCCl 7a_100000766143_100000183381 [0,0,0,0,0,0|3,0,0]=3 641 B13R0.2 CCNC(=O)COCCCCCCF 34a_100000732779_100000183381 [0,0,0,0,0,0|3,0,0]=3 642 B13R0.2 CCNC(=O)COCCCCCCF 7a_100000732779_100000183381 [0,0,0,0,0,0|3,0,0]=3 643 B13R0.2 CCNC(=O)COCCCCCCN 34a_100000686447_100000183381 [0,0,0,0,0,0|3,0,0]=3 644 B13R0.2 CCNC(=O)COCCCCCNC 34a_100000722520_100000183381 [0,0,0,0,0,0|3,0,0]=3 645 B13R0.2 CCNC(=O)COCCOCCNC 34a_100000228057_100000183381 [0,0,0,0,0,0|4,0,0]=4 646 B13R0.2 CCNC(=O)COCCOCCOC 11a_100015525214_100011214951 [0,0,0,0,0,0|4,0,0]=4 647 B13R0.2 CCNC(=O)COCCOCCOC 240690a_100015525214_100011214951 [0,0,0,0,0,0|4,0,0]=4 648 B13R0.2 CCNC(=O)COCCOCCOC 34a_100011215163_100000183381 [0,0,0,0,0,0|4,0,0]=4 649 B13R0.2 CCNC(=O)COCCOCCOC 527a_100015525214_100011214951 [0,0,0,0,0,0|4,0,0]=4 650 B13R0.2 CCNC(=O)COCCOCCOC 7a_100011215163_100000183381 [0,0,0,0,0,0|4,0,0]=4 651 B13R0.2 CCNC(=O)CSCCCCCC#N 62a_100000183381_100009813376 [0,0,0,0,0,0|3,0,1]=4 652 B13R0.2 CCNC(=O)CSCCCCCC#N 62a_100009813376_100000183381 [0,0,0,0,0,0|3,0,1]=4 653 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000139337_100000183381 [0,0,0,0,0,0|3,0,1]=4 654 B13R0.2 CCNC(=O)CSCCCCCC=O 62a_100000183381_100000139337 [0,0,0,0,0,0|3,0,1]=4 655 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100000183381_100015922095 [0,0,0,0,0,0|3,0,0]=3 656 B13R0.2 CCNC(=O)CSCCCCCCF 62a_100015922095_100000183381 [0,0,0,0,0,0|3,0,0]=3 657 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000183381_100000766143 [0,0,0,0,0,0|3,0,0]=3 658 B13R0.2 CCNC(=O)CSCCCCCCO 62a_100000766143_100000183381 [0,0,0,0,0,0|3,0,0]=3 659 B13R0.2 CCNC(=O)CSCCOCCOC 62a_100000183381_100000695917 [0,0,0,0,0,0|4,0,0]=4 660 B13R0.2 CCNC(=O)CSCCOCCOC 62a_100000695917_100000183381 [0,0,0,0,0,0|4,0,0]=4 661 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100011996573_100015525214 [0,0,0,0,0,0|3,0,0]=3 662 B13R0.2 CCNC(=O)NCCCCCCCO 2708a_100015525214_100011996573 [0,0,0,0,0,0|3,0,0]=3 663 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100011996573_100015525214 [0,0,0,0,0,0|3,0,0]=3 664 B13R0.2 CCNC(=O)NCCCCCCCO 273464a_100015525214_100011996573 [0,0,0,0,0,0|3,0,0]=3 665 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100011996573_100015525214 [0,0,0,0,0,0|3,0,0]=3 666 B13R0.2 CCNC(=O)NCCCCCCCO 512a_100015525214_100011996573 [0,0,0,0,0,0|3,0,0]=3 667 B13R0.2 CCNC(=O)NCCCOCCCO 2708a_100015525214_100011310245 [0,0,0,0,0,0|4,0,0]=4 668 B13R0.2 CCNC(=O)NCCCOCCCO 273464a_100011310245_100015525214 [0,0,0,0,0,0|4,0,0]=4 669 B13R0.2 CCNC(=O)NCCCOCCCO 273464a_100015525214_100011310245 [0,0,0,0,0,0|4,0,0]=4 670 B13R0.2 CCNC(=O)NCCCOCCOC 2708a_100000206027_100015525214 [0,0,0,0,0,0|4,0,0]=4 671 B13R0.2 CCNC(=O)NCCCOCCOC 2708a_100015525214_100000206027 [0,0,0,0,0,0|4,0,0]=4 672 B13R0.2 CCNC(=O)NCCCOCCOC 273464a_100000206027_100015525214 [0,0,0,0,0,0|4,0,0]=4 673 B13R0.2 CCNC(=O)NCCCOCCOC 273464a_100015525214_100000206027 [0,0,0,0,0,0|4,0,0]=4 674 B13R0.2 CCNC(=O)NCCOCCOCC 2708a_100015525214_100102712874 [0,0,0,0,0,0|4,0,0]=4 675 B13R0.2 CCNC(=O)NCCOCCOCC 2708a_100102712874_100015525214 [0,0,0,0,0,0|4,0,0]=4 676 B13R0.2 CCNC(=O)NCCOCCOCC 273464a_100015525214_100102712874 [0,0,0,0,0,0|4,0,0]=4 677 B13R0.2 CCNC(=O)NCCOCCOCC 273464a_100102712874_100015525214 [0,0,0,0,0,0|4,0,0]=4 678 B13R0.2 CCNC(=O)NCCOCCOCC 512a_100102712874_100015525214 [0,0,0,0,0,0|4,0,0]=4 679 B13R0.2 CCNCCCCCCC(=O)OCC 2230a_100015525214_100009814379 [0,0,0,0,0,0|1,0,0]=1 680 B13R0.2 CCNN=CCCCCC(=O)OCC 4a_100000756455_100012182868 [0,0,0,0,0,0|2,0,1]=3 681 B13R0.2 CCOC(=O)/C=C/CNCCCCO 2230a_100000750430_100016267167 [0,0,0,0,0,0|2,0,2]=4 682 B13R0.2 CCOC(=O)/C=C/CNCCCCO 34a_100000750430_100016267167 [0,0,0,0,0,0|2,0,2]=4 683 B13R0.2 CCOC(=O)/C=C/CNCCCOC 34a_100150723488_100016267167 [0,0,0,0,0,0|2,0,2]=4 684 B13R0.2 CCOC(=O)/C=C/CNCCCSC 2230a_100000749238_100016267167 [0,0,0,0,0,0|2,0,2]=4 685 B13R0.2 CCOC(=O)/C=C/CNCCSCC 2230a_100000106463_100016267167 [0,0,0,0,0,0|2,0,2]=4 686 B13R0.2 CCOC(=O)/C=C/COCCCCBr 34a_100011216708_100016267167 [0,0,0,0,0,0|2,0,2]=4 687 B13R0.2 CCOC(=O)/C=C/COCCCCCl 34a_100000210776_100016267167 [0,0,0,0,0,0|2,0,2]=4 688 B13R0.2 CCOC(=O)/C=C/COCCCCCl 7a_100000210776_100016267167 [0,0,0,0,0,0|2,0,2]=4 689 B13R0.2 CCOC(=O)/C=C/COCCCCF 34a_100011995726_100016267167 [0,0,0,0,0,0|2,0,2]=4 690 B13R0.2 CCOC(=O)/C=C/COCCCCF 7a_100011995726_100016267167 [0,0,0,0,0,0|2,0,2]=4 691 B13R0.2 CCOC(=O)/C=C/COCCCCI 34a_200012148704_100016267167 [0,0,0,0,0,0|2,0,2]=4 692 B13R0.2 CCOC(=O)/C=C/COCCCCN 34a_100000750430_100016267167 [0,0,0,0,0,0|2,0,2]=4 693 B13R0.2 CCOC(=O)/C=C/COCCCNC 34a_100000213112_100016267167 [0,0,0,0,0,0|2,0,2]=4 694 B13R0.2 CCOC(=O)/C=C/COCCCOC 34a_100000740835_100016267167 [0,0,0,0,0,0|2,0,2]=4 695 B13R0.2 CCOC(=O)/C=C/COCCCSC 34a_100000690336_100016267167 [0,0,0,0,0,0|2,0,2]=4 696 B13R0.2 CCOC(=O)/C=C/COCCCSC 7a_100000690336_100016267167 [0,0,0,0,0,0|2,0,2]=4 697 B13R0.2 CCOC(=O)/C=C/COCCSCC 34a_100000212035_100016267167 [0,0,0,0,0,0|2,0,2]=4 698 B13R0.2 CCOC(=O)/C=C/COCCSCC 7a_100000212035_100016267167 [0,0,0,0,0,0|2,0,2]=4 699 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100000729493_100016267167 [0,0,0,0,0,0|2,0,2]=4 700 B13R0.2 CCOC(=O)/C=C/CSCCCCF 62a_100016267167_100000729493 [0,0,0,0,0,0|2,0,2]=4 701 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100000210776_100016267167 [0,0,0,0,0,0|2,0,2]=4 702 B13R0.2 CCOC(=O)/C=C/CSCCCCO 62a_100016267167_100000210776 [0,0,0,0,0,0|2,0,2]=4 703 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100000709357_100016267167 [0,0,0,0,0,0|2,0,2]=4 704 B13R0.2 CCOC(=O)/C=C/CSCCCOC 62a_100016267167_100000709357 [0,0,0,0,0,0|2,0,2]=4 705 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100000757381_100016267167 [0,0,0,0,0,0|2,0,2]=4 706 B13R0.2 CCOC(=O)/C=C/CSCCSCC 62a_100016267167_100000757381 [0,0,0,0,0,0|2,0,2]=4 707 B13R0.2 CCOC(=O)CCCCCCCNC 2230a_106832991635_100009991516 [0,0,0,0,0,0|1,0,0]=1 708 B13R0.2 CCOC(=O)CCCCCCCNC 34a_100102657272_100009991516 [0,0,0,0,0,0|1,0,0]=1 709 B13R0.2 CCOC(=O)CCCCCCCNC 7a_106832991635_100009991516 [0,0,0,0,0,0|1,0,0]=1 710 B13R0.2 CCOC(=O)CCCCCCCOC 34a_100138415774_100009991516 [0,0,0,0,0,0|1,0,0]=1 711 B13R0.2 CCOC(=O)CCCCCCCSC 62a_200000210301_100009991516 [0,0,0,0,0,0|1,0,0]=1 712 B13R0.2 CCOC(=O)CCCCCCCS[13CH3] 62a_200025704644_100009991516 [0,0,0,0,0,0|1,0,0]=1 713 B13R0.2 CCOC(=O)CCCCCCSCC 62a_100000210202_100009814379 [0,0,0,0,0,0|1,0,0]=1 714 B13R0.2 CCOC(=O)CCCCCCSCF 62a_100015361967_100009814379 [0,0,0,0,0,0|2,0,0]=2 715 B13R0.2 CCOC(=O)CCCCCNCCF 34a_100000724931_100000755133 [0,0,0,0,0,0|2,0,0]=2 716 B13R0.2 CCOC(=O)CCCCCNCCO 2230a_100016997473_100000755133 [0,0,0,0,0,0|2,0,0]=2 717 B13R0.2 CCOC(=O)CCCCCNCCO 34a_100016990907_100000755133 [0,0,0,0,0,0|2,0,0]=2 718 B13R0.2 CCOC(=O)CCCCCOCC#N 7a_100011214988_100011215382 [0,0,0,0,0,0|2,0,1]=3 719 B13R0.2 CCOC(=O)CCCCCOCC=O 7a_100011214988_200015260668 [0,0,0,0,0,0|2,0,1]=3 720 B13R0.2 CCOC(=O)CCCCCOCCBr 34a_100000211926_100000755133 [0,0,0,0,0,0|2,0,0]=2 721 B13R0.2 CCOC(=O)CCCCCOCCF 7a_100011214988_100011217306 [0,0,0,0,0,0|2,0,0]=2 722 B13R0.2 CCOC(=O)CCCCCOCCN 34a_100000210304_100000755133 [0,0,0,0,0,0|2,0,0]=2 723 B13R0.2 CCOC(=O)CCCCCOCCO 7a_100011214988_100000211926 [0,0,0,0,0,0|2,0,0]=2 724 B13R0.2 CCOC(=O)CCCCCSCC#N 62a_100000755133_100011215382 [0,0,0,0,0,0|2,0,1]=3 725 B13R0.2 CCOC(=O)CCCCCSCC#N 62a_100011215382_100000755133 [0,0,0,0,0,0|2,0,1]=3 726 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_100000755133_200015260668 [0,0,0,0,0,0|2,0,1]=3 727 B13R0.2 CCOC(=O)CCCCCSCC=O 62a_200015260668_100000755133 [0,0,0,0,0,0|2,0,1]=3 728 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100000755133_100011217306 [0,0,0,0,0,0|2,0,0]=2 729 B13R0.2 CCOC(=O)CCCCCSCCF 62a_100011217306_100000755133 [0,0,0,0,0,0|2,0,0]=2 730 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000211926_100000755133 [0,0,0,0,0,0|2,0,0]=2 731 B13R0.2 CCOC(=O)CCCCCSCCO 62a_100000755133_100000211926 [0,0,0,0,0,0|2,0,0]=2 732 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000755133_100000766300 [0,0,0,0,0,0|2,0,0]=2 733 B13R0.2 CCOC(=O)CCCCCSCOC 62a_100000766300_100000755133 [0,0,0,0,0,0|2,0,0]=2 734 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100000755133_100011218213 [0,0,0,0,0,0|2,0,0]=2 735 B13R0.2 CCOC(=O)CCCCCSCSC 62a_100011218213_100000755133 [0,0,0,0,0,0|2,0,0]=2 736 B13R0.2 CCOC(=O)CCCCNCCCF 2230a_100015189416_100000750268 [0,0,0,0,0,0|2,0,0]=2 737 B13R0.2 CCOC(=O)CCCCNCCCF 34a_100015189416_100000750268 [0,0,0,0,0,0|2,0,0]=2 738 B13R0.2 CCOC(=O)CCCCNCCOC 2230a_100000209980_100000750268 [0,0,0,0,0,0|2,0,0]=2 739 B13R0.2 CCOC(=O)CCCCNCCSC 2230a_100020590264_100000750268 [0,0,0,0,0,0|2,0,0]=2 740 B13R0.2 CCOC(=O)CCCCOCCCBr 34a_100011217188_100000750268 [0,0,0,0,0,0|2,0,0]=2 741 B13R0.2 CCOC(=O)CCCCOCCCCl 34a_100000230001_100000750268 [0,0,0,0,0,0|2,0,0]=2 742 B13R0.2 CCOC(=O)CCCCOCCCF 34a_100000759539_100000750268 [0,0,0,0,0,0|2,0,0]=2 743 B13R0.2 CCOC(=O)CCCCOCCCN 34a_100000182051_100000750268 [0,0,0,0,0,0|2,0,0]=2 744 B13R0.2 CCOC(=O)CCCCOCCOC 34a_100000210237_100000750268 [0,0,0,0,0,0|2,0,0]=2 745 B13R0.2 CCOC(=O)CCCCOCCON 34a_100000700252_100000750268 [0,0,0,0,0,0|3,0,0]=3 746 B13R0.2 CCOC(=O)CCCCOCCSC 34a_100000230434_100000750268 [0,0,0,0,0,0|2,0,0]=2 747 B13R0.2 CCOC(=O)CCCCOCCSC 7a_100000230434_100000750268 [0,0,0,0,0,0|2,0,0]=2 748 B13R0.2 CCOC(=O)CCCCSCCC#N 62a_100000750268_100011215226 [0,0,0,0,0,0|2,0,1]=3 749 B13R0.2 CCOC(=O)CCCCSCCC#N 62a_100011215226_100000750268 [0,0,0,0,0,0|2,0,1]=3 750 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100000750268_100011934791 [0,0,0,0,0,0|2,0,0]=2 751 B13R0.2 CCOC(=O)CCCCSCCCF 62a_100011934791_100000750268 [0,0,0,0,0,0|2,0,0]=2 752 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100000750268_100011215043 [0,0,0,0,0,0|2,0,0]=2 753 B13R0.2 CCOC(=O)CCCCSCCCO 62a_100011215043_100000750268 [0,0,0,0,0,0|2,0,0]=2 754 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000233755_100000750268 [0,0,0,0,0,0|2,0,0]=2 755 B13R0.2 CCOC(=O)CCCCSCCOC 62a_100000750268_100000233755 [0,0,0,0,0,0|2,0,0]=2 756 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000212216_100000750268 [0,0,0,0,0,0|2,0,0]=2 757 B13R0.2 CCOC(=O)CCCCSCCSC 62a_100000750268_100000751147 [0,0,0,0,0,0|2,0,0]=2 758 B13R0.2 CCOC(=O)CCCCSCSC#N 62a_100000211825_100000750268 [0,0,0,0,0,0|3,0,1]=4 759 B13R0.2 CCOC(=O)CCCCSCSC#N 62a_100000750268_100000211825 [0,0,0,0,0,0|3,0,1]=4 760 B13R0.2 CCOC(=O)CCCNCCCCO 2230a_100000750430_100009991533 [0,0,0,0,0,0|2,0,0]=2 761 B13R0.2 CCOC(=O)CCCNCCCCO 34a_100000750430_100009991533 [0,0,0,0,0,0|2,0,0]=2 762 B13R0.2 CCOC(=O)CCCNCCCOC 34a_100150723488_100009991533 [0,0,0,0,0,0|2,0,0]=2 763 B13R0.2 CCOC(=O)CCCNCCCSC 2230a_100000749238_100009991533 [0,0,0,0,0,0|2,0,0]=2 764 B13R0.2 CCOC(=O)CCCNCCSCC 2230a_100000106463_100009991533 [0,0,0,0,0,0|2,0,0]=2 765 B13R0.2 CCOC(=O)CCCOCC#CCCl 34a_200000047223_100009991533 [0,0,0,0,0,0|2,0,2]=4 766 B13R0.2 CCOC(=O)CCCOCC#CCO 7a_100012001163_200000047223 [0,0,0,0,0,0|2,0,2]=4 767 B13R0.2 CCOC(=O)CCCOCCCC#N 7a_100012001163_100000687738 [0,0,0,0,0,0|2,0,1]=3 768 B13R0.2 CCOC(=O)CCCOCCCC=O 7a_100012001163_200011292268 [0,0,0,0,0,0|2,0,1]=3 769 B13R0.2 CCOC(=O)CCCOCCCCBr 34a_100011216708_100009991533 [0,0,0,0,0,0|2,0,0]=2 770 B13R0.2 CCOC(=O)CCCOCCCCCl 34a_100000210776_100009991533 [0,0,0,0,0,0|2,0,0]=2 771 B13R0.2 CCOC(=O)CCCOCCCCCl 7a_100000210776_100011215271 [0,0,0,0,0,0|2,0,0]=2 772 B13R0.2 CCOC(=O)CCCOCCCCF 34a_100011995726_100009991533 [0,0,0,0,0,0|2,0,0]=2 773 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100011995726_100011215271 [0,0,0,0,0,0|2,0,0]=2 774 B13R0.2 CCOC(=O)CCCOCCCCF 7a_100012001163_100000729493 [0,0,0,0,0,0|2,0,0]=2 775 B13R0.2 CCOC(=O)CCCOCCCCI 34a_200012148704_100009991533 [0,0,0,0,0,0|2,0,0]=2 776 B13R0.2 CCOC(=O)CCCOCCCCN 34a_100000750430_100009991533 [0,0,0,0,0,0|2,0,0]=2 777 B13R0.2 CCOC(=O)CCCOCCCCO 7a_100012001163_100000210776 [0,0,0,0,0,0|2,0,0]=2 778 B13R0.2 CCOC(=O)CCCOCCCNC 34a_100000213112_100009991533 [0,0,0,0,0,0|2,0,0]=2 779 B13R0.2 CCOC(=O)CCCOCCCOC 34a_100000740835_100009991533 [0,0,0,0,0,0|2,0,0]=2 780 B13R0.2 CCOC(=O)CCCOCCCOC 7a_100012001163_100000740836 [0,0,0,0,0,0|2,0,0]=2 781 B13R0.2 CCOC(=O)CCCOCCCSC 34a_100000690336_100009991533 [0,0,0,0,0,0|2,0,0]=2 782 B13R0.2 CCOC(=O)CCCOCCCSC 7a_100000690336_100011215271 [0,0,0,0,0,0|2,0,0]=2 783 B13R0.2 CCOC(=O)CCCOCCSCC 34a_100000212035_100009991533 [0,0,0,0,0,0|2,0,0]=2 784 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100000212035_100011215271 [0,0,0,0,0,0|2,0,0]=2 785 B13R0.2 CCOC(=O)CCCOCCSCC 7a_100012001163_100000757381 [0,0,0,0,0,0|2,0,0]=2 786 B13R0.2 CCOC(=O)CCCSCC#CCO 62a_100009991533_200000047223 [0,0,0,0,0,0|2,0,2]=4 787 B13R0.2 CCOC(=O)CCCSCC#CCO 62a_200000047223_100009991533 [0,0,0,0,0,0|2,0,2]=4 788 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100000687738_100009991533 [0,0,0,0,0,0|2,0,1]=3 789 B13R0.2 CCOC(=O)CCCSCCCC#N 62a_100009991533_100000687738 [0,0,0,0,0,0|2,0,1]=3 790 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_100009991533_200011292268 [0,0,0,0,0,0|2,0,1]=3 791 B13R0.2 CCOC(=O)CCCSCCCC=O 62a_200011292268_100009991533 [0,0,0,0,0,0|2,0,1]=3 792 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100000729493_100009991533 [0,0,0,0,0,0|2,0,0]=2 793 B13R0.2 CCOC(=O)CCCSCCCCF 62a_100009991533_100000729493 [0,0,0,0,0,0|2,0,0]=2 794 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100000210776_100009991533 [0,0,0,0,0,0|2,0,0]=2 795 B13R0.2 CCOC(=O)CCCSCCCCO 62a_100009991533_100000210776 [0,0,0,0,0,0|2,0,0]=2 796 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100000709357_100009991533 [0,0,0,0,0,0|2,0,0]=2 797 B13R0.2 CCOC(=O)CCCSCCCOC 62a_100009991533_100000709357 [0,0,0,0,0,0|2,0,0]=2 798 B13R0.2 CCOC(=O)CCCSCCSC#N 62a_100000034367_100009991533 [0,0,0,0,0,0|3,0,1]=4 799 B13R0.2 CCOC(=O)CCCSCCSC#N 62a_100009991533_100000034367 [0,0,0,0,0,0|3,0,1]=4 800 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100000757381_100009991533 [0,0,0,0,0,0|2,0,0]=2 801 B13R0.2 CCOC(=O)CCCSCCSCC 62a_100009991533_100000757381 [0,0,0,0,0,0|2,0,0]=2 802 B13R0.2 CCOC(=O)CCNCCCCCO 2230a_100000762737_100011206558 [0,0,0,0,0,0|2,0,0]=2 803 B13R0.2 CCOC(=O)CCNCCCCCO 34a_100000762737_100000765890 [0,0,0,0,0,0|2,0,0]=2 804 B13R0.2 CCOC(=O)CCNCCCN=[N+]=[N-] 2230a_100000744732_100011206558 [0,0,0,0,0,0|4,0,0]=4 805 B13R0.2 CCOC(=O)CCNCCOCCO 2230a_100000211614_100011206558 [0,0,0,0,0,0|3,0,0]=3 806 B13R0.2 CCOC(=O)CCNCCOCCO 34a_100000211614_100000765890 [0,0,0,0,0,0|3,0,0]=3 807 B13R0.2 CCOC(=O)CCNCCSCCO 2230a_100011219999_100011206558 [0,0,0,0,0,0|3,0,0]=3 808 B13R0.2 CCOC(=O)CCOCCCCCBr 34a_100000746331_100000765890 [0,0,0,0,0,0|2,0,0]=2 809 B13R0.2 CCOC(=O)CCOCCCCCBr 7a_100000746331_100011206558 [0,0,0,0,0,0|2,0,0]=2 810 B13R0.2 CCOC(=O)CCOCCCCCCl 34a_100000746330_100000765890 [0,0,0,0,0,0|2,0,0]=2 811 B13R0.2 CCOC(=O)CCOCCCCCCl 7a_100000746330_100011206558 [0,0,0,0,0,0|2,0,0]=2 812 B13R0.2 CCOC(=O)CCOCCCCCI 34a_200012148887_100000765890 [0,0,0,0,0,0|2,0,0]=2 813 B13R0.2 CCOC(=O)CCOCCCCCI 7a_200012148887_100011206558 [0,0,0,0,0,0|2,0,0]=2 814 B13R0.2 CCOC(=O)CCOCCCCCN 34a_100000762737_100000765890 [0,0,0,0,0,0|2,0,0]=2 815 B13R0.2 CCOC(=O)CCOCCCCOC 34a_100000740925_100000765890 [0,0,0,0,0,0|2,0,0]=2 816 B13R0.2 CCOC(=O)CCOCCCCSC 34a_100011217163_100000765890 [0,0,0,0,0,0|2,0,0]=2 817 B13R0.2 CCOC(=O)CCOCCCCSC 7a_100011217163_100011206558 [0,0,0,0,0,0|2,0,0]=2 818 B13R0.2 CCOC(=O)CCOCCCSCC 34a_100011216438_100000765890 [0,0,0,0,0,0|2,0,0]=2 819 B13R0.2 CCOC(=O)CCOCCCSCC 7a_100011216438_100011206558 [0,0,0,0,0,0|2,0,0]=2 820 B13R0.2 CCOC(=O)CCOCCOCCBr 34a_100000692535_100000765890 [0,0,0,0,0,0|3,0,0]=3 821 B13R0.2 CCOC(=O)CCOCCOCCBr 7a_100000692535_100011206558 [0,0,0,0,0,0|3,0,0]=3 822 B13R0.2 CCOC(=O)CCOCCOCCCl 34a_100011215305_100000765890 [0,0,0,0,0,0|3,0,0]=3 823 B13R0.2 CCOC(=O)CCOCCOCCCl 7a_100011215305_100011206558 [0,0,0,0,0,0|3,0,0]=3 824 B13R0.2 CCOC(=O)CCOCCOCCF 34a_200015357709_100000765890 [0,0,0,0,0,0|3,0,0]=3 825 B13R0.2 CCOC(=O)CCOCCOCCF 7a_200015357709_100011206558 [0,0,0,0,0,0|3,0,0]=3 826 B13R0.2 CCOC(=O)CCOCCOCCI 34a_100012149058_100000765890 [0,0,0,0,0,0|3,0,0]=3 827 B13R0.2 CCOC(=O)CCOCCOCCI 7a_100012149058_100011206558 [0,0,0,0,0,0|3,0,0]=3 828 B13R0.2 CCOC(=O)CCOCCOCCN 34a_100000211614_100000765890 [0,0,0,0,0,0|3,0,0]=3 829 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100000765890_100000211819 [0,0,0,0,0,0|2,0,1]=3 830 B13R0.2 CCOC(=O)CCSCCCCC#N 62a_100011219923_100000765890 [0,0,0,0,0,0|2,0,1]=3 831 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000139335_100000765890 [0,0,0,0,0,0|2,0,1]=3 832 B13R0.2 CCOC(=O)CCSCCCCC=O 62a_100000765890_100000139335 [0,0,0,0,0,0|2,0,1]=3 833 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000729378_100000765890 [0,0,0,0,0,0|2,0,0]=2 834 B13R0.2 CCOC(=O)CCSCCCCCF 62a_100000765890_100000729378 [0,0,0,0,0,0|2,0,0]=2 835 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000746330_100000765890 [0,0,0,0,0,0|2,0,0]=2 836 B13R0.2 CCOC(=O)CCSCCCCCO 62a_100000765890_100000746330 [0,0,0,0,0,0|2,0,0]=2 837 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000730899_100000765890 [0,0,0,0,0,0|2,0,0]=2 838 B13R0.2 CCOC(=O)CCSCCCCOC 62a_100000765890_100000730899 [0,0,0,0,0,0|2,0,0]=2 839 B13R0.2 CCOC(=O)CCSCCOCC#N 62a_100000765890_200000047693 [0,0,0,0,0,0|3,0,1]=4 840 B13R0.2 CCOC(=O)CCSCCOCC#N 62a_200000047693_100000765890 [0,0,0,0,0,0|3,0,1]=4 841 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100000765890_100011215305 [0,0,0,0,0,0|3,0,0]=3 842 B13R0.2 CCOC(=O)CCSCCOCCO 62a_100011215305_100000765890 [0,0,0,0,0,0|3,0,0]=3 843 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000231047_100000765890 [0,0,0,0,0,0|3,0,0]=3 844 B13R0.2 CCOC(=O)CCSCOCCOC 62a_100000765890_100000231047 [0,0,0,0,0,0|3,0,0]=3 845 B13R0.2 CCOC(=O)CNCCCCCCO 2230a_100000686447_100000188475 [0,0,0,0,0,0|2,0,0]=2 846 B13R0.2 CCOC(=O)CNCCCCCCO 34a_100000686447_100000188475 [0,0,0,0,0,0|2,0,0]=2 847 B13R0.2 CCOC(=O)CNCCCCCOC 2230a_100000747528_100000188475 [0,0,0,0,0,0|2,0,0]=2 848 B13R0.2 CCOC(=O)CNCCCCCOC 34a_100000747528_100000188475 [0,0,0,0,0,0|2,0,0]=2 849 B13R0.2 CCOC(=O)CNCCCCN=[N+]=[N-] 2230a_100000101370_100000188475 [0,0,0,0,0,0|4,0,0]=4 850 B13R0.2 CCOC(=O)CNCCOCCOC 2230a_100000745349_100000188475 [0,0,0,0,0,0|3,0,0]=3 851 B13R0.2 CCOC(=O)CNCCOCCOC 34a_100000745349_100000188475 [0,0,0,0,0,0|3,0,0]=3 852 B13R0.2 CCOC(=O)COCCCCCCBr 34a_100011215345_100000188475 [0,0,0,0,0,0|2,0,0]=2 853 B13R0.2 CCOC(=O)COCCCCCCBr 7a_100011215345_100000188475 [0,0,0,0,0,0|2,0,0]=2 854 B13R0.2 CCOC(=O)COCCCCCCCl 34a_100000766143_100000188475 [0,0,0,0,0,0|2,0,0]=2 855 B13R0.2 CCOC(=O)COCCCCCCCl 7a_100000766143_100000188475 [0,0,0,0,0,0|2,0,0]=2 856 B13R0.2 CCOC(=O)COCCCCCCF 34a_100000732779_100000188475 [0,0,0,0,0,0|2,0,0]=2 857 B13R0.2 CCOC(=O)COCCCCCCF 7a_100000732779_100000188475 [0,0,0,0,0,0|2,0,0]=2 858 B13R0.2 CCOC(=O)COCCCCCCN 34a_100000686447_100000188475 [0,0,0,0,0,0|2,0,0]=2 859 B13R0.2 CCOC(=O)COCCCCCNC 34a_100000722520_100000188475 [0,0,0,0,0,0|2,0,0]=2 860 B13R0.2 CCOC(=O)COCCCNCCF 34a_100000724931_100009893628 [0,0,0,0,0,0|3,0,0]=3 861 B13R0.2 CCOC(=O)COCCCNCCO 2230a_100016997473_100009893628 [0,0,0,0,0,0|3,0,0]=3 862 B13R0.2 CCOC(=O)COCCCNCCO 34a_100016990907_100009893628 [0,0,0,0,0,0|3,0,0]=3 863 B13R0.2 CCOC(=O)COCCCOCCBr 34a_100000211926_100009893628 [0,0,0,0,0,0|3,0,0]=3 864 B13R0.2 CCOC(=O)COCCCOCCN 34a_100000210304_100009893628 [0,0,0,0,0,0|3,0,0]=3 865 B13R0.2 CCOC(=O)COCCCSCC#N 62a_100009893628_100011215382 [0,0,0,0,0,0|3,0,1]=4 866 B13R0.2 CCOC(=O)COCCCSCC#N 62a_100011215382_100009893628 [0,0,0,0,0,0|3,0,1]=4 867 B13R0.2 CCOC(=O)COCCCSCC=O 62a_100009893628_200015260668 [0,0,0,0,0,0|3,0,1]=4 868 B13R0.2 CCOC(=O)COCCCSCC=O 62a_200015260668_100009893628 [0,0,0,0,0,0|3,0,1]=4 869 B13R0.2 CCOC(=O)COCCCSCCF 62a_100009893628_100011217306 [0,0,0,0,0,0|3,0,0]=3 870 B13R0.2 CCOC(=O)COCCCSCCF 62a_100011217306_100009893628 [0,0,0,0,0,0|3,0,0]=3 871 B13R0.2 CCOC(=O)COCCCSCCO 62a_100000211926_100009893628 [0,0,0,0,0,0|3,0,0]=3 872 B13R0.2 CCOC(=O)COCCCSCCO 62a_100009893628_100000211926 [0,0,0,0,0,0|3,0,0]=3 873 B13R0.2 CCOC(=O)COCCCSCOC 62a_100000766300_100009893628 [0,0,0,0,0,0|3,0,0]=3 874 B13R0.2 CCOC(=O)COCCCSCOC 62a_100009893628_100000766300 [0,0,0,0,0,0|3,0,0]=3 875 B13R0.2 CCOC(=O)COCCCSCSC 62a_100009893628_100011218213 [0,0,0,0,0,0|3,0,0]=3 876 B13R0.2 CCOC(=O)COCCCSCSC 62a_100011218213_100009893628 [0,0,0,0,0,0|3,0,0]=3 877 B13R0.2 CCOC(=O)COCCNCCCF 2230a_100015189416_100000088970 [0,0,0,0,0,0|3,0,0]=3 878 B13R0.2 CCOC(=O)COCCNCCCF 34a_100015189416_100000088970 [0,0,0,0,0,0|3,0,0]=3 879 B13R0.2 CCOC(=O)COCCNCCOC 2230a_100000209980_100000088970 [0,0,0,0,0,0|3,0,0]=3 880 B13R0.2 CCOC(=O)COCCNCCSC 2230a_100020590264_100000088970 [0,0,0,0,0,0|3,0,0]=3 881 B13R0.2 CCOC(=O)COCCOCCCBr 34a_100011217188_100000088970 [0,0,0,0,0,0|3,0,0]=3 882 B13R0.2 CCOC(=O)COCCOCCCCl 34a_100000230001_100000088970 [0,0,0,0,0,0|3,0,0]=3 883 B13R0.2 CCOC(=O)COCCOCCCF 34a_100000759539_100000088970 [0,0,0,0,0,0|3,0,0]=3 884 B13R0.2 CCOC(=O)COCCOCCCN 34a_100000182051_100000088970 [0,0,0,0,0,0|3,0,0]=3 885 B13R0.2 CCOC(=O)COCCOCCNC 34a_100000228057_100000188475 [0,0,0,0,0,0|3,0,0]=3 886 B13R0.2 CCOC(=O)COCCOCCOC 34a_100000210237_100000088970 [0,0,0,0,0,0|3,0,0]=3 887 B13R0.2 CCOC(=O)COCCOCCOC 34a_100011215163_100000188475 [0,0,0,0,0,0|3,0,0]=3 888 B13R0.2 CCOC(=O)COCCOCCOC 7a_100011215163_100000188475 [0,0,0,0,0,0|3,0,0]=3 889 B13R0.2 CCOC(=O)COCCOCCON 34a_100000700252_100000088970 [0,0,0,0,0,0|4,0,0]=4 890 B13R0.2 CCOC(=O)COCCOCCSC 34a_100000230434_100000088970 [0,0,0,0,0,0|3,0,0]=3 891 B13R0.2 CCOC(=O)COCCOCCSC 7a_100000230434_100000088970 [0,0,0,0,0,0|3,0,0]=3 892 B13R0.2 CCOC(=O)COCCSCCC#N 62a_100000088970_100011215226 [0,0,0,0,0,0|3,0,1]=4 893 B13R0.2 CCOC(=O)COCCSCCC#N 62a_100011215226_100000088970 [0,0,0,0,0,0|3,0,1]=4 894 B13R0.2 CCOC(=O)COCCSCCCF 62a_100000088970_100011934791 [0,0,0,0,0,0|3,0,0]=3 895 B13R0.2 CCOC(=O)COCCSCCCF 62a_100011934791_100000088970 [0,0,0,0,0,0|3,0,0]=3 896 B13R0.2 CCOC(=O)COCCSCCCO 62a_100000088970_100011215043 [0,0,0,0,0,0|3,0,0]=3 897 B13R0.2 CCOC(=O)COCCSCCCO 62a_100011215043_100000088970 [0,0,0,0,0,0|3,0,0]=3 898 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000088970_100000233755 [0,0,0,0,0,0|3,0,0]=3 899 B13R0.2 CCOC(=O)COCCSCCOC 62a_100000233755_100000088970 [0,0,0,0,0,0|3,0,0]=3 900 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000088970_100000751147 [0,0,0,0,0,0|3,0,0]=3 901 B13R0.2 CCOC(=O)COCCSCCSC 62a_100000212216_100000088970 [0,0,0,0,0,0|3,0,0]=3 902 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100000188475_100009813376 [0,0,0,0,0,0|2,0,1]=3 903 B13R0.2 CCOC(=O)CSCCCCCC#N 62a_100009813376_100000188475 [0,0,0,0,0,0|2,0,1]=3 904 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000139337_100000188475 [0,0,0,0,0,0|2,0,1]=3 905 B13R0.2 CCOC(=O)CSCCCCCC=O 62a_100000188475_100000139337 [0,0,0,0,0,0|2,0,1]=3 906 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100000188475_100015922095 [0,0,0,0,0,0|2,0,0]=2 907 B13R0.2 CCOC(=O)CSCCCCCCF 62a_100015922095_100000188475 [0,0,0,0,0,0|2,0,0]=2 908 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000188475_100000766143 [0,0,0,0,0,0|2,0,0]=2 909 B13R0.2 CCOC(=O)CSCCCCCCO 62a_100000766143_100000188475 [0,0,0,0,0,0|2,0,0]=2 910 B13R0.2 CCOC(=O)CSCCOCCC#N 7a_200000230590_100000184422 [0,0,0,0,0,0|3,0,1]=4 911 B13R0.2 CCOC(=O)CSCCOCCCF 7a_200000230590_100011934791 [0,0,0,0,0,0|3,0,0]=3 912 B13R0.2 CCOC(=O)CSCCOCCCO 7a_200000230590_100011215043 [0,0,0,0,0,0|3,0,0]=3 913 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000188475_100000695917 [0,0,0,0,0,0|3,0,0]=3 914 B13R0.2 CCOC(=O)CSCCOCCOC 62a_100000695917_100000188475 [0,0,0,0,0,0|3,0,0]=3 915 B13R0.2 CCOC(=O)CSCCOCCOC 7a_200000230590_100000233755 [0,0,0,0,0,0|3,0,0]=3 916 B13R0.2 CCOC(=O)CSCCOCCSC 7a_200000230590_100000212216 [0,0,0,0,0,0|3,0,0]=3 917 B13R0.2 CCOC(=O)NCCOCCCCCl 7a_100000210776_200011445536 [0,0,0,0,0,0|3,0,0]=3 918 B13R0.2 CCOC(=O)NCCOCCCCF 34a_100000158857_100000729493 [0,0,0,0,0,0|3,0,0]=3 919 B13R0.2 CCOC(=O)NCCOCCCCF 7a_100011995726_200011445536 [0,0,0,0,0,0|3,0,0]=3 920 B13R0.2 CCOC(=O)NCCOCCCCO 34a_100000158857_100011216708 [0,0,0,0,0,0|3,0,0]=3 921 B13R0.2 CCOC(=O)NCCOCCCOC 34a_100000158857_100000740836 [0,0,0,0,0,0|3,0,0]=3 922 B13R0.2 CCOC(=O)NCCOCCCSC 7a_100000690336_200011445536 [0,0,0,0,0,0|3,0,0]=3 923 B13R0.2 CCOC(=O)NCCOCCSCC 34a_100000158857_100000757381 [0,0,0,0,0,0|3,0,0]=3 924 B13R0.2 CCOC(=O)NCCOCCSCC 7a_100000212035_200011445536 [0,0,0,0,0,0|3,0,0]=3 925 B13R0.2 CCOC(=O)NCCSCCCC#N 62a_100000687738_200011445536 [0,0,0,0,0,0|3,0,1]=4 926 B13R0.2 CCOC(=O)NCCSCCCC=O 62a_200011292268_200011445536 [0,0,0,0,0,0|3,0,1]=4 927 B13R0.2 CCOC(=O)NCCSCCCCF 62a_100000729493_200011445536 [0,0,0,0,0,0|3,0,0]=3 928 B13R0.2 CCOC(=O)NCCSCCCCO 62a_100000210776_200011445536 [0,0,0,0,0,0|3,0,0]=3 929 B13R0.2 CCOC(=O)NCCSCCCOC 62a_100000709357_200011445536 [0,0,0,0,0,0|3,0,0]=3 930 B13R0.2 CCOC(=O)NCCSCCSCC 62a_100000757381_200011445536 [0,0,0,0,0,0|3,0,0]=3 931 B13R0.2 CCOC(=O)OCSCCCCC#N 62a_100011219923_100000075025 [0,0,0,0,0,0|3,0,1]=4 932 B13R0.2 CCOC(=O)OCSCCCCC=O 62a_100000139335_100000075025 [0,0,0,0,0,0|3,0,1]=4 933 B13R0.2 CCOC(=O)OCSCCCCCF 62a_100000729378_100000075025 [0,0,0,0,0,0|3,0,0]=3 934 B13R0.2 CCOC(=O)OCSCCCCCO 62a_100000746330_100000075025 [0,0,0,0,0,0|3,0,0]=3 935 B13R0.2 CCOC(=O)OCSCCCCOC 62a_100000730899_100000075025 [0,0,0,0,0,0|3,0,0]=3 936 B13R0.2 CCOC(=O)OCSCCOCCO 62a_100011215305_100000075025 [0,0,0,0,0,0|4,0,0]=4 937 B13R0.2 CCOC(=O)OCSCOCCOC 62a_100000231047_100000075025 [0,0,0,0,0,0|4,0,0]=4 938 B13R0.2 CCOCCCCCCC(=O)OCC 34a_100121572206_100009814379 [0,0,0,0,0,0|1,0,0]=1 939 B13R0.2 CCOCCCNCCC(=O)OCC 2230a_100000210961_100011206558 [0,0,0,0,0,0|2,0,0]=2 940 B13R0.2 CCOCCCNCCC(=O)OCC 34a_100000210961_100000765890 [0,0,0,0,0,0|2,0,0]=2 941 B13R0.2 CCOCCCOCCC(=O)OCC 34a_100000757476_100000765890 [0,0,0,0,0,0|2,0,0]=2 942 B13R0.2 CCOCCCOCCC(=O)OCC 7a_100000757476_100011206558 [0,0,0,0,0,0|2,0,0]=2 943 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100000765890_100012232248 [0,0,0,0,0,0|2,0,0]=2 944 B13R0.2 CCOCCCSCCC(=O)OCC 62a_100012232248_100000765890 [0,0,0,0,0,0|2,0,0]=2 945 B13R0.2 CCOCCCSCOC(=O)OCC 62a_100012232248_100000075025 [0,0,0,0,0,0|3,0,0]=3 946 B13R0.2 CCOCCNC/C=C/C(=O)OCC 2230a_102516460346_100016267167 [0,0,0,0,0,0|2,0,2]=4 947 B13R0.2 CCOCCNC/C=C/C(=O)OCC 34a_102516460346_100016267167 [0,0,0,0,0,0|2,0,2]=4 948 B13R0.2 CCOCCNCCCC(=O)OCC 2230a_102516460346_100009991533 [0,0,0,0,0,0|2,0,0]=2 949 B13R0.2 CCOCCNCCCC(=O)OCC 34a_102516460346_100009991533 [0,0,0,0,0,0|2,0,0]=2 950 B13R0.2 CCOCCOC/C=C/C(=O)OCC 34a_100000210136_100016267167 [0,0,0,0,0,0|2,0,2]=4 951 B13R0.2 CCOCCOC/C=C/C(=O)OCC 7a_100000210136_100016267167 [0,0,0,0,0,0|2,0,2]=4 952 B13R0.2 CCOCCOCCCC(=O)OCC 34a_100000210136_100009991533 [0,0,0,0,0,0|2,0,0]=2 953 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100000210136_100011215271 [0,0,0,0,0,0|2,0,0]=2 954 B13R0.2 CCOCCOCCCC(=O)OCC 7a_100012001163_100011215890 [0,0,0,0,0,0|2,0,0]=2 955 B13R0.2 CCOCCOCCNC(=O)OCC 34a_100000158857_100000210147 [0,0,0,0,0,0|3,0,0]=3 956 B13R0.2 CCOCCOCCNC(=O)OCC 7a_100000210136_200011445536 [0,0,0,0,0,0|3,0,0]=3 957 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100000210147_100016267167 [0,0,0,0,0,0|2,0,2]=4 958 B13R0.2 CCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215890 [0,0,0,0,0,0|2,0,2]=4 959 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100000210147_100009991533 [0,0,0,0,0,0|2,0,0]=2 960 B13R0.2 CCOCCSCCCC(=O)OCC 62a_100009991533_100011215890 [0,0,0,0,0,0|2,0,0]=2 961 B13R0.2 CCOCCSCCNC(=O)OCC 62a_100000210147_200011445536 [0,0,0,0,0,0|3,0,0]=3 962 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000739092_100000750268 [0,0,0,0,0,0|2,0,0]=2 963 B13R0.2 CCOCSCCCCC(=O)OCC 62a_100000750268_100000739092 [0,0,0,0,0,0|2,0,0]=2 964 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000088970_100000739092 [0,0,0,0,0,0|3,0,0]=3 965 B13R0.2 CCOCSCCOCC(=O)OCC 62a_100000739092_100000088970 [0,0,0,0,0,0|3,0,0]=3 966 B13R0.2 CNCCCCCOCC(=O)NCO 34a_100000722520_100000185155 [0,0,0,0,0,0|4,0,0]=4 967 B13R0.2 CNNC(=O)CCCCCCCCO 22a_100016993582_100000015970 [0,0,0,0,0,0|3,0,0]=3 968 B13R0.2 CNNC(=O)NCCCCCCCO 273464a_100011996573_100016993582 [0,0,0,0,0,0|4,0,0]=4 969 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100011996573_100016993582 [0,0,0,0,0,0|4,0,0]=4 970 B13R0.2 CNNC(=O)NCCCCCCCO 512a_100016993582_100011996573 [0,0,0,0,0,0|4,0,0]=4 971 B13R0.2 COCC(=O)CCCCCCCCO 1458a_100000210968_100000033203 [0,0,0,0,0,0|3,0,0]=3 972 B13R0.2 COCC(=O)NCCCCCCCO 240690a_100011996573_100000210968 [0,0,0,0,0,0|4,0,0]=4 973 B13R0.2 COCCCCCNCC(=O)NCO 2230a_100000747528_100000185155 [0,0,0,0,0,0|4,0,0]=4 974 B13R0.2 COCCCCCNCC(=O)NCO 34a_100000747528_100000185155 [0,0,0,0,0,0|4,0,0]=4 975 B13R0.2 CSCC(=O)CCCCCCCCO 1458a_100000184570_100000033203 [0,0,0,0,0,0|3,0,0]=3 976 B13R0.2 CSCC(=O)NCCCCCCCO 240690a_100011996573_100000184570 [0,0,0,0,0,0|4,0,0]=4 977 B13R0.2 N#CCC(=O)CCCCCCCCO 1458a_100051588842_100000033203 [0,0,0,0,0,0|3,0,1]=4 978 B13R0.2 NCCCCCCOCC(=O)NCO 34a_100000686447_100000185155 [0,0,0,0,0,0|4,0,0]=4 979 B13R0.2 O=C(C=CBr)CCCCCCCCO 1458a_100016273825_100000033203 [0,0,0,0,0,0|3,0,1]=4 980 B13R0.2 O=C(C=CCl)CCCCCCCCO 1458a_200016279998_100000033203 [0,0,0,0,0,0|3,0,1]=4 981 B13R0.2 O=C(C=CI)CCCCCCCCO 1458a_100016256311_100000033203 [0,0,0,0,0,0|3,0,1]=4 982 B13R0.2 O=C(CCO)CCCCCCCCO 1458a_100011216618_100000033203 [0,0,0,0,0,0|3,0,0]=3 983 B13R0.2 O=C(CCO)NCCCCCCCO 240690a_100011996573_100011216618 [0,0,0,0,0,0|4,0,0]=4 984 B13R0.2 O=C(CNCCCCCCO)NCO 2230a_100000686447_100000185155 [0,0,0,0,0,0|4,0,0]=4 985 B13R0.2 O=C(CNCCCCCCO)NCO 34a_100000686447_100000185155 [0,0,0,0,0,0|4,0,0]=4 986 B13R0.2 O=C(COCCCCCCBr)NCO 34a_100011215345_100000185155 [0,0,0,0,0,0|4,0,0]=4 987 B13R0.2 O=C(COCCCCCCBr)NCO 7a_100011215345_100000185155 [0,0,0,0,0,0|4,0,0]=4 988 B13R0.2 O=C(COCCCCCCCl)NCO 34a_100000766143_100000185155 [0,0,0,0,0,0|4,0,0]=4 989 B13R0.2 O=C(COCCCCCCCl)NCO 7a_100000766143_100000185155 [0,0,0,0,0,0|4,0,0]=4 990 B13R0.2 O=C(COCCCCCCF)NCO 34a_100000732779_100000185155 [0,0,0,0,0,0|4,0,0]=4 991 B13R0.2 O=C(COCCCCCCF)NCO 7a_100000732779_100000185155 [0,0,0,0,0,0|4,0,0]=4 992 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100000185155_100015922095 [0,0,0,0,0,0|4,0,0]=4 993 B13R0.2 O=C(CSCCCCCCF)NCO 62a_100015922095_100000185155 [0,0,0,0,0,0|4,0,0]=4 994 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000185155_100000766143 [0,0,0,0,0,0|4,0,0]=4 995 B13R0.2 O=C(CSCCCCCCO)NCO 62a_100000766143_100000185155 [0,0,0,0,0,0|4,0,0]=4 996 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100000210188_100000184674 [1,0,0,0,0,0|1,0,2]=4 997 B12R0.1 C#CCC(=O)CCCCCCCC 1458a_100011220946_100000210759 [1,0,0,0,0,0|1,0,2]=4 998 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000034748_100000210303 [1,0,0,0,0,0|1,0,2]=4 999 B12R0.1 C#CCCCCCCC(=O)CCC 1458a_100000211992_100012276617 [1,0,0,0,0,0|1,0,2]=4 1000 B12R0.1 C#CCCCCCCC(=O)NCC 11a_100015525214_100000034748 [1,0,0,0,0,0|1,0,2]=4 1001 B12R0.1 C#CCCCCCCC(=O)NCC 240690a_100015525214_100000034748 [1,0,0,0,0,0|1,0,2]=4 1002 B12R0.1 C#CCCCCCCC(=O)NCC 527a_100015525214_100000034748 [1,0,0,0,0,0|1,0,2]=4 1003 B12R0.1 C#CCCCCNCC(=O)OCC 2230a_100000706060_100000188475 [1,0,0,0,0,0|1,0,2]=4 1004 B12R0.1 C#CCCCCNCC(=O)OCC 34a_100000706060_100000188475 [1,0,0,0,0,0|1,0,2]=4 1005 B12R0.1 C#CCCCCOCC(=O)OCC 34a_100000766709_100000188475 [1,0,0,0,0,0|1,0,2]=4 1006 B12R0.1 C#CCCCCOCC(=O)OCC 7a_100000766709_100000188475 [1,0,0,0,0,0|1,0,2]=4 1007 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100000188475_100010269958 [1,0,0,0,0,0|1,0,2]=4 1008 B12R0.1 C#CCCCCSCC(=O)OCC 62a_100010269958_100000188475 [1,0,0,0,0,0|1,0,2]=4 1009 B12R0.1 C#CCCCNCCC(=O)OCC 34a_100000718082_100000765890 [1,0,0,0,0,0|1,0,2]=4 1010 B12R0.1 C#CCCCOCCC(=O)OCC 34a_100000215630_100000765890 [1,0,0,0,0,0|1,0,2]=4 1011 B12R0.1 C#CCCCOCCC(=O)OCC 7a_100000215630_100011206558 [1,0,0,0,0,0|1,0,2]=4 1012 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100000765890_100011215417 [1,0,0,0,0,0|1,0,2]=4 1013 B12R0.1 C#CCCCSCCC(=O)OCC 62a_100011215417_100000765890 [1,0,0,0,0,0|1,0,2]=4 1014 B12R0.1 C#CCCNCCCC(=O)OCC 34a_100000755551_100009991533 [1,0,0,0,0,0|1,0,2]=4 1015 B12R0.1 C#CCCOCCCC(=O)OCC 34a_100011215631_100009991533 [1,0,0,0,0,0|1,0,2]=4 1016 B12R0.1 C#CCCOCCCC(=O)OCC 7a_100012001163_100000688953 [1,0,0,0,0,0|1,0,2]=4 1017 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100000688953_100009991533 [1,0,0,0,0,0|1,0,2]=4 1018 B12R0.1 C#CCCSCCCC(=O)OCC 62a_100009991533_100000688953 [1,0,0,0,0,0|1,0,2]=4 1019 B12R0.1 C#CCNCCCCC(=O)OCC 34a_100000212058_100000750268 [1,0,0,0,0,0|1,0,2]=4 1020 B12R0.1 C#CCOCCCCC(=O)OCC 34a_100000210247_100000750268 [1,0,0,0,0,0|1,0,2]=4 1021 B12R0.1 C#CCSCCCCC(=O)OCC 62a_100000038162_100000750268 [1,0,0,0,0,0|1,0,2]=4 1022 B12R0.1 C/C=C/CCOCCC(=O)OCC 34a_100016278192_100000765890 [1,0,0,0,0,0|1,0,2]=4 1023 B12R0.1 C/C=C/COCCCC(=O)OCC 34a_100016270725_100009991533 [1,0,0,0,0,0|1,0,2]=4 1024 B12R0.1 C/C=C/COCCCC(=O)OCC 7a_100012001163_100102629194 [1,0,0,0,0,0|1,0,2]=4 1025 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100009991533_100102629194 [1,0,0,0,0,0|1,0,2]=4 1026 B12R0.1 C/C=C/CSCCCC(=O)OCC 62a_100102629194_100009991533 [1,0,0,0,0,0|1,0,2]=4 1027 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210188_100000210623 [1,0,0,0,0,0|1,0,2]=4 1028 B12R0.1 C=CCC(=O)CCCCCCCC 1458a_100000210193_100000210759 [1,0,0,0,0,0|1,0,2]=4 1029 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100000211992_100011215473 [1,0,0,0,0,0|1,0,2]=4 1030 B12R0.1 C=CCCCCCCC(=O)CCC 1458a_100011809334_100000210303 [1,0,0,0,0,0|1,0,2]=4 1031 B12R0.1 C=CCCCCCCC(=O)NCC 11a_100015525214_100011809334 [1,0,0,0,0,0|1,0,2]=4 1032 B12R0.1 C=CCCCCCCC(=O)NCC 240690a_100015525214_100011809334 [1,0,0,0,0,0|1,0,2]=4 1033 B12R0.1 C=CCCCCCCC(=O)NCC 527a_100015525214_100011809334 [1,0,0,0,0,0|1,0,2]=4 1034 B12R0.1 C=CCCCCNCC(=O)OCC 2230a_100000703577_100000188475 [1,0,0,0,0,0|1,0,2]=4 1035 B12R0.1 C=CCCCCNCC(=O)OCC 34a_100000703577_100000188475 [1,0,0,0,0,0|1,0,2]=4 1036 B12R0.1 C=CCCCCOCC(=O)OCC 34a_100000766645_100000188475 [1,0,0,0,0,0|1,0,2]=4 1037 B12R0.1 C=CCCCCOCC(=O)OCC 7a_100000766645_100000188475 [1,0,0,0,0,0|1,0,2]=4 1038 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100000188475_100011215482 [1,0,0,0,0,0|1,0,2]=4 1039 B12R0.1 C=CCCCCSCC(=O)OCC 62a_100011215482_100000188475 [1,0,0,0,0,0|1,0,2]=4 1040 B12R0.1 C=CCCCNCCC(=O)OCC 2230a_100000700776_100011206558 [1,0,0,0,0,0|1,0,2]=4 1041 B12R0.1 C=CCCCNCCC(=O)OCC 34a_100000700776_100000765890 [1,0,0,0,0,0|1,0,2]=4 1042 B12R0.1 C=CCCCOCCC(=O)OCC 34a_100000758997_100000765890 [1,0,0,0,0,0|1,0,2]=4 1043 B12R0.1 C=CCCCOCCC(=O)OCC 7a_100000758997_100011206558 [1,0,0,0,0,0|1,0,2]=4 1044 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100000765890_100000757094 [1,0,0,0,0,0|1,0,2]=4 1045 B12R0.1 C=CCCCSCCC(=O)OCC 62a_100011713584_100000765890 [1,0,0,0,0,0|1,0,2]=4 1046 B12R0.1 C=CCCNCCCC(=O)OCC 2230a_100015191253_100009991533 [1,0,0,0,0,0|1,0,2]=4 1047 B12R0.1 C=CCCOCCCC(=O)OCC 34a_100011205117_100009991533 [1,0,0,0,0,0|1,0,2]=4 1048 B12R0.1 C=CCCOCCCC(=O)OCC 7a_100012001163_100000754431 [1,0,0,0,0,0|1,0,2]=4 1049 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100000754431_100009991533 [1,0,0,0,0,0|1,0,2]=4 1050 B12R0.1 C=CCCSCCCC(=O)OCC 62a_100009991533_100000754431 [1,0,0,0,0,0|1,0,2]=4 1051 B12R0.1 C=CCNCCCCC(=O)OCC 2230a_100020586998_100000750268 [1,0,0,0,0,0|1,0,2]=4 1052 B12R0.1 C=CCOCCCCC(=O)OCC 34a_200000210373_100000750268 [1,0,0,0,0,0|1,0,2]=4 1053 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000210623_100000750268 [1,0,0,0,0,0|1,0,2]=4 1054 B12R0.1 C=CCSCCCCC(=O)OCC 62a_100000750268_100000210623 [1,0,0,0,0,0|1,0,2]=4 1055 B12R0.1 C=COC(=O)CNCCCCCC 2230a_100000210581_100000036128 [1,0,0,0,0,0|1,0,2]=4 1056 B12R0.1 C=COC(=O)COCCCCCC 34a_100000210259_100000036128 [1,0,0,0,0,0|1,0,2]=4 1057 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000036128_100000210757 [1,0,0,0,0,0|1,0,2]=4 1058 B12R0.1 C=COC(=O)CSCCCCCC 62a_100000210314_100000036128 [1,0,0,0,0,0|1,0,2]=4 1059 B12R0.1 CC#CC(=O)CCCCCCCC 1458a_100000763181_100000210759 [1,0,0,0,0,0|1,0,1]=3 1060 B12R0.1 CC#CC(=O)CCCCCCCO 1458a_100000763181_100000760002 [1,0,0,0,0,0|2,0,1]=4 1061 B12R0.1 CC#CC(=O)CCCCCCOC 1458a_100000763181_100011998445 [1,0,0,0,0,0|2,0,1]=4 1062 B12R0.1 CC#CCCOCCC(=O)OCC 34a_100000750427_100000765890 [1,0,0,0,0,0|1,0,2]=4 1063 B12R0.1 CC#CCNCCCC(=O)OCC 2230a_100000685387_100009991533 [1,0,0,0,0,0|1,0,2]=4 1064 B12R0.1 CC#CCNCCCC(=O)OCC 34a_100000685387_100009991533 [1,0,0,0,0,0|1,0,2]=4 1065 B12R0.1 CC#CCOCCCC(=O)OCC 34a_100000761923_100009991533 [1,0,0,0,0,0|1,0,2]=4 1066 B12R0.1 CC#CCOCCCC(=O)OCC 7a_100012001163_100000748600 [1,0,0,0,0,0|1,0,2]=4 1067 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100000748600_100009991533 [1,0,0,0,0,0|1,0,2]=4 1068 B12R0.1 CC#CCSCCCC(=O)OCC 62a_100009991533_100000748600 [1,0,0,0,0,0|1,0,2]=4 1069 B12R0.1 CC/C=C\CCOCC(=O)OCC 34a_100016288707_100000188475 [1,0,0,0,0,0|1,0,2]=4 1070 B12R0.1 CC/C=C\CCOCC(=O)OCC 7a_100016288707_100000188475 [1,0,0,0,0,0|1,0,2]=4 1071 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100000188475_100015370543 [1,0,0,0,0,0|1,0,2]=4 1072 B12R0.1 CC/C=C\CCSCC(=O)OCC 62a_100015370543_100000188475 [1,0,0,0,0,0|1,0,2]=4 1073 B12R0.1 CC/C=C\COCCC(=O)OCC 34a_100016268518_100000765890 [1,0,0,0,0,0|1,0,2]=4 1074 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100000765890_100103147603 [1,0,0,0,0,0|1,0,2]=4 1075 B12R0.1 CC/C=C\CSCCC(=O)OCC 62a_100103147603_100000765890 [1,0,0,0,0,0|1,0,2]=4 1076 B12R0.1 CC=CC(=O)CCCCCCCC 1458a_100000210699_100000210759 [1,0,0,0,0,0|1,0,1]=3 1077 B12R0.1 CC=CC(=O)CCCCCCCO 1458a_100000210699_100000760002 [1,0,0,0,0,0|2,0,1]=4 1078 B12R0.1 CC=CC(=O)CCCCCCOC 1458a_100000210699_100011998445 [1,0,0,0,0,0|2,0,1]=4 1079 B12R0.1 CC=CC(=O)NCCCCCCC 11a_100000229938_100000210699 [1,0,0,0,0,0|2,0,1]=4 1080 B12R0.1 CC=CC(=O)NCCCCCCC 1626a_100000229938_100000210699 [1,0,0,0,0,0|2,0,1]=4 1081 B12R0.1 CC=CC(=O)NCCCCCCC 240690a_100000229938_100000210699 [1,0,0,0,0,0|2,0,1]=4 1082 B12R0.1 CC=CCCCOCC(=O)OCC 34a_100020645299_100000188475 [1,0,0,0,0,0|1,0,2]=4 1083 B12R0.1 CC=CCOCCCC(=O)OCC 7a_100012001163_100000070051 [1,0,0,0,0,0|1,0,2]=4 1084 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100000070051_100009991533 [1,0,0,0,0,0|1,0,2]=4 1085 B12R0.1 CC=CCSCCCC(=O)OCC 62a_100009991533_100000070051 [1,0,0,0,0,0|1,0,2]=4 1086 B12R0.1 CCC#CCCOCC(=O)OCC 34a_100000036655_100000188475 [1,0,0,0,0,0|1,0,2]=4 1087 B12R0.1 CCC#CCCOCC(=O)OCC 7a_100000036655_100000188475 [1,0,0,0,0,0|1,0,2]=4 1088 B12R0.1 CCC#CCOCCC(=O)OCC 34a_100000032950_100000765890 [1,0,0,0,0,0|1,0,2]=4 1089 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100000765890_100009813939 [1,0,0,0,0,0|1,0,2]=4 1090 B12R0.1 CCC#CCSCCC(=O)OCC 62a_100009813939_100000765890 [1,0,0,0,0,0|1,0,2]=4 1091 B12R0.1 CCC/C=C/COCC(=O)OCC 34a_100016278788_100000188475 [1,0,0,0,0,0|1,0,2]=4 1092 B12R0.1 CCC/C=C/COCC(=O)OCC 7a_100016278788_100000188475 [1,0,0,0,0,0|1,0,2]=4 1093 B12R0.1 CCCC#CCOCC(=O)OCC 34a_100000034806_100000188475 [1,0,0,0,0,0|1,0,2]=4 1094 B12R0.1 CCCC#CCOCC(=O)OCC 7a_100000034806_100000188475 [1,0,0,0,0,0|1,0,2]=4 1095 B12R0.1 CCCC(=O)CCCCCCC#N 1458a_100000211992_100009813337 [1,0,0,0,0,0|2,0,1]=4 1096 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100000211992_100000760002 [1,0,0,0,0,0|2,0,0]=3 1097 B12R0.1 CCCC(=O)CCCCCCCO 1458a_100011219782_100000210303 [1,0,0,0,0,0|2,0,0]=3 1098 B12R0.1 CCCC(=O)CCCCCCOC 1458a_100000211992_100011998445 [1,0,0,0,0,0|2,0,0]=3 1099 B12R0.1 CCCC(=O)CCCOCCOC 1458a_100000211992_100011216529 [1,0,0,0,0,0|3,0,0]=4 1100 B12R0.1 CCCC(=O)CCOCCOCC 1458a_100000211992_100011211534 [1,0,0,0,0,0|3,0,0]=4 1101 B12R0.1 CCCC(=O)CNCCCCCO 2230a_100000762737_100000747444 [1,0,0,0,0,0|3,0,0]=4 1102 B12R0.1 CCCC(=O)CNCCCOCC 2230a_100000210961_100000747444 [1,0,0,0,0,0|3,0,0]=4 1103 B12R0.1 CCCC(=O)COCCCCCBr 7a_100000746331_100000747444 [1,0,0,0,0,0|3,0,0]=4 1104 B12R0.1 CCCC(=O)COCCCCCCl 7a_100000746330_100000747444 [1,0,0,0,0,0|3,0,0]=4 1105 B12R0.1 CCCC(=O)COCCCCCI 7a_200012148887_100000747444 [1,0,0,0,0,0|3,0,0]=4 1106 B12R0.1 CCCC(=O)COCCCCSC 7a_100011217163_100000747444 [1,0,0,0,0,0|3,0,0]=4 1107 B12R0.1 CCCC(=O)COCCCOCC 7a_100000757476_100000747444 [1,0,0,0,0,0|3,0,0]=4 1108 B12R0.1 CCCC(=O)COCCCSCC 7a_100011216438_100000747444 [1,0,0,0,0,0|3,0,0]=4 1109 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000729378_100000747444 [1,0,0,0,0,0|3,0,0]=4 1110 B12R0.1 CCCC(=O)CSCCCCCF 62a_100000747444_100000729378 [1,0,0,0,0,0|3,0,0]=4 1111 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000746330_100000747444 [1,0,0,0,0,0|3,0,0]=4 1112 B12R0.1 CCCC(=O)CSCCCCCO 62a_100000747444_100000746330 [1,0,0,0,0,0|3,0,0]=4 1113 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000730899_100000747444 [1,0,0,0,0,0|3,0,0]=4 1114 B12R0.1 CCCC(=O)CSCCCCOC 62a_100000747444_100000730899 [1,0,0,0,0,0|3,0,0]=4 1115 B12R0.1 CCCC(=O)CSCCCOCC 62a_100000747444_100012232248 [1,0,0,0,0,0|3,0,0]=4 1116 B12R0.1 CCCC(=O)CSCCCOCC 62a_100012232248_100000747444 [1,0,0,0,0,0|3,0,0]=4 1117 B12R0.1 CCCC(=O)NCCCCCCO 240690a_100000686447_100000211992 [1,0,0,0,0,0|3,0,0]=4 1118 B12R0.1 CCCC(=O)NCCCCCCO 527a_100000686447_100000211992 [1,0,0,0,0,0|3,0,0]=4 1119 B12R0.1 CCCC(=O)NCCCCCOC 11a_100000747528_100000211992 [1,0,0,0,0,0|3,0,0]=4 1120 B12R0.1 CCCC(=O)NCCCCCOC 1626a_100000747528_100000211992 [1,0,0,0,0,0|3,0,0]=4 1121 B12R0.1 CCCC(=O)NCCCCCOC 240690a_100000747528_100000211992 [1,0,0,0,0,0|3,0,0]=4 1122 B12R0.1 CCCC(=O)NCCCCCOC 527a_100000747528_100000211992 [1,0,0,0,0,0|3,0,0]=4 1123 B12R0.1 CCCCC/C=C/CC(=O)CCC 1458a_100020675968_100000210303 [1,0,0,0,0,0|1,0,2]=4 1124 B12R0.1 CCCCC/C=C/CC(=O)NCC 11a_100015525214_100020675968 [1,0,0,0,0,0|1,0,2]=4 1125 B12R0.1 CCCCC/C=C/CC(=O)NCC 240690a_100015525214_100020675968 [1,0,0,0,0,0|1,0,2]=4 1126 B12R0.1 CCCCCC#CCC(=O)CCC 1458a_100000211992_100009816472 [1,0,0,0,0,0|1,0,2]=4 1127 B12R0.1 CCCCCCC=CC(=O)CCC 1458a_200015324643_100000210303 [1,0,0,0,0,0|1,0,2]=4 1128 B12R0.1 CCCCCCC=CC(=O)NCC 11a_100015525214_200015324643 [1,0,0,0,0,0|1,0,2]=4 1129 B12R0.1 CCCCCCC=CC(=O)NCC 240690a_100015525214_200015324643 [1,0,0,0,0,0|1,0,2]=4 1130 B12R0.1 CCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210759 [1,0,0,0,0,0|2,0,1]=4 1131 B12R0.1 CCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210759 [1,0,0,0,0,0|2,0,1]=4 1132 B12R0.1 CCCCCCCCC(=O)C=CI 1458a_100016256311_100000210759 [1,0,0,0,0,0|2,0,1]=4 1133 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100000210188_100011214920 [1,0,0,0,0,0|2,0,1]=4 1134 B12R0.1 CCCCCCCCC(=O)CC#N 1458a_100051588842_100000210759 [1,0,0,0,0,0|2,0,1]=4 1135 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000210188_100000210303 [1,0,0,0,0,0|1,0,0]=2 1136 B12R0.1 CCCCCCCCC(=O)CCC 1458a_100000211992_100000210759 [1,0,0,0,0,0|1,0,0]=2 1137 B12R0.1 CCCCCCCCC(=O)CCF 1458a_100000210188_100011217306 [1,0,0,0,0,0|2,0,0]=3 1138 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100000210188_100000211926 [1,0,0,0,0,0|2,0,0]=3 1139 B12R0.1 CCCCCCCCC(=O)CCO 1458a_100011216618_100000210759 [1,0,0,0,0,0|2,0,0]=3 1140 B12R0.1 CCCCCCCCC(=O)COC 1458a_100000210968_100000210759 [1,0,0,0,0,0|2,0,0]=3 1141 B12R0.1 CCCCCCCCC(=O)CSC 1458a_100000184570_100000210759 [1,0,0,0,0,0|2,0,0]=3 1142 B12R0.1 CCCCCCCCC(=O)NCC 11a_100015525214_100000210188 [1,0,0,0,0,0|1,0,0]=2 1143 B12R0.1 CCCCCCCCC(=O)NCC 240690a_100015525214_100000210188 [1,0,0,0,0,0|1,0,0]=2 1144 B12R0.1 CCCCCCCCC(=O)NCC 527a_100015525214_100000210188 [1,0,0,0,0,0|1,0,0]=2 1145 B12R0.1 CCCCCCCCC(=O)NNC 22a_100016993582_100000210188 [1,0,0,0,0,0|2,0,0]=3 1146 B12R0.1 CCCCCCCCC(C)NCC 270004a_100015525214_100011216694 [1,0,0,0,0,0|2,0,1]=4 1147 B12R0.1 CCCCCCCCC(C)OCC 34a_100000210740_100000210202 [1,0,0,0,0,0|1,0,1]=3 1148 B12R0.1 CCCCCCCCC(C)OCC 7a_100000210740_100000210202 [1,0,0,0,0,0|1,0,1]=3 1149 B12R0.1 CCCCCCCCC(C)OCF 34a_100000210740_100015361967 [1,0,0,0,0,0|2,0,1]=4 1150 B12R0.1 CCCCCCCCC(C)OCF 7a_100000210740_100015361967 [1,0,0,0,0,0|2,0,1]=4 1151 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000207567_100000210303 [1,0,0,0,0,0|3,0,0]=4 1152 B12R0.1 CCCCCCCCN(C)CCC 2230a_100000747261_100000210759 [1,0,0,0,0,0|3,0,0]=4 1153 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000207567_100000210303 [1,0,0,0,0,0|3,0,0]=4 1154 B12R0.1 CCCCCCCCN(C)CCC 269982a_100000747261_100000210759 [1,0,0,0,0,0|3,0,0]=4 1155 B12R0.1 CCCCCCCNC(=O)CCC 11a_100000229938_100000211992 [1,0,0,0,0,0|2,0,0]=3 1156 B12R0.1 CCCCCCCNC(=O)CCC 1626a_100000229938_100000211992 [1,0,0,0,0,0|2,0,0]=3 1157 B12R0.1 CCCCCCCNC(=O)CCC 240690a_100000229938_100000211992 [1,0,0,0,0,0|2,0,0]=3 1158 B12R0.1 CCCCCCCNC(=O)CCC 527a_100000229938_100000211992 [1,0,0,0,0,0|2,0,0]=3 1159 B12R0.1 CCCCCCCNC(=O)CCO 240690a_100000229938_100011216618 [1,0,0,0,0,0|3,0,0]=4 1160 B12R0.1 CCCCCCCNC(=O)COC 11a_100000229938_100000210968 [1,0,0,0,0,0|3,0,0]=4 1161 B12R0.1 CCCCCCCNC(=O)COC 1626a_100000229938_100000210968 [1,0,0,0,0,0|3,0,0]=4 1162 B12R0.1 CCCCCCCNC(=O)COC 240690a_100000229938_100000210968 [1,0,0,0,0,0|3,0,0]=4 1163 B12R0.1 CCCCCCCNC(=O)COC 527a_100000229938_100000210968 [1,0,0,0,0,0|3,0,0]=4 1164 B12R0.1 CCCCCCCNC(=O)CSC 11a_100000229938_100000184570 [1,0,0,0,0,0|3,0,0]=4 1165 B12R0.1 CCCCCCCNC(=O)CSC 1626a_100000229938_100000184570 [1,0,0,0,0,0|3,0,0]=4 1166 B12R0.1 CCCCCCCNC(=O)CSC 240690a_100000229938_100000184570 [1,0,0,0,0,0|3,0,0]=4 1167 B12R0.1 CCCCCCCNC(=O)CSC 527a_100000229938_100000184570 [1,0,0,0,0,0|3,0,0]=4 1168 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 1169 B12R0.1 CCCCCCCNC(=O)NCC 2708a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 1170 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 1171 B12R0.1 CCCCCCCNC(=O)NCC 273464a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 1172 B12R0.1 CCCCCCCNC(=O)NCC 512a_100000229938_100015525214 [1,0,0,0,0,0|2,0,0]=3 1173 B12R0.1 CCCCCCCNC(=O)NCC 512a_100015525214_100000229938 [1,0,0,0,0,0|2,0,0]=3 1174 B12R0.1 CCCCCCCNC(=O)NNC 273464a_100000229938_100016993582 [1,0,0,0,0,0|3,0,0]=4 1175 B12R0.1 CCCCCCCNC(=O)NNC 512a_100000229938_100016993582 [1,0,0,0,0,0|3,0,0]=4 1176 B12R0.1 CCCCCCCNC(=O)NNC 512a_100016993582_100000229938 [1,0,0,0,0,0|3,0,0]=4 1177 B12R0.1 CCCCCCNCC(=O)CCC 2230a_100000210581_100000747444 [1,0,0,0,0,0|2,0,0]=3 1178 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100000210581_100000183381 [1,0,0,0,0,0|2,0,0]=3 1179 B12R0.1 CCCCCCNCC(=O)NCC 2230a_100016988866_100000210314 [1,0,0,0,0,0|2,0,0]=3 1180 B12R0.1 CCCCCCNCC(=O)NCO 2230a_100000210581_100000185155 [1,0,0,0,0,0|3,0,0]=4 1181 B12R0.1 CCCCCCNCC(=O)OCC 2230a_100000210581_100000188475 [1,0,0,0,0,0|1,0,0]=2 1182 B12R0.1 CCCCCCOCC(=O)CCC 7a_100000210259_100000747444 [1,0,0,0,0,0|2,0,0]=3 1183 B12R0.1 CCCCCCOCC(=O)NCC 34a_100000210259_100000183381 [1,0,0,0,0,0|2,0,0]=3 1184 B12R0.1 CCCCCCOCC(=O)NCC 7a_100000210259_100000183381 [1,0,0,0,0,0|2,0,0]=3 1185 B12R0.1 CCCCCCOCC(=O)NCO 34a_100000210259_100000185155 [1,0,0,0,0,0|3,0,0]=4 1186 B12R0.1 CCCCCCOCC(=O)NCO 7a_100000210259_100000185155 [1,0,0,0,0,0|3,0,0]=4 1187 B12R0.1 CCCCCCOCC(=O)OCC 34a_100000210259_100000188475 [1,0,0,0,0,0|1,0,0]=2 1188 B12R0.1 CCCCCCOCC(=O)OCC 7a_100000210259_100000188475 [1,0,0,0,0,0|1,0,0]=2 1189 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000210314_100000747444 [1,0,0,0,0,0|2,0,0]=3 1190 B12R0.1 CCCCCCSCC(=O)CCC 62a_100000747444_100000210757 [1,0,0,0,0,0|2,0,0]=3 1191 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000183381_100000210757 [1,0,0,0,0,0|2,0,0]=3 1192 B12R0.1 CCCCCCSCC(=O)NCC 62a_100000210314_100000183381 [1,0,0,0,0,0|2,0,0]=3 1193 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000185155_100000210757 [1,0,0,0,0,0|3,0,0]=4 1194 B12R0.1 CCCCCCSCC(=O)NCO 62a_100000210314_100000185155 [1,0,0,0,0,0|3,0,0]=4 1195 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000188475_100000210757 [1,0,0,0,0,0|1,0,0]=2 1196 B12R0.1 CCCCCCSCC(=O)OCC 62a_100000210314_100000188475 [1,0,0,0,0,0|1,0,0]=2 1197 B12R0.1 CCCCCNCCC(=O)NCC 2230a_100000209983_100000737597 [1,0,0,0,0,0|2,0,0]=3 1198 B12R0.1 CCCCCNCCC(=O)NCC 34a_100025743525_100000718602 [1,0,0,0,0,0|2,0,0]=3 1199 B12R0.1 CCCCCNCCC(=O)OCC 2230a_100000209983_100011206558 [1,0,0,0,0,0|1,0,0]=2 1200 B12R0.1 CCCCCNCOC(=O)CCC 2230a_100000209983_100000034017 [1,0,0,0,0,0|3,0,0]=4 1201 B12R0.1 CCCCCNN=CC(=O)OCC 4a_100000694160_100000742314 [1,0,0,0,0,0|2,0,1]=4 1202 B12R0.1 CCCCCOCCC(=O)NCC 7a_100000210253_100000737597 [1,0,0,0,0,0|2,0,0]=3 1203 B12R0.1 CCCCCOCCC(=O)OCC 34a_100000210253_100000765890 [1,0,0,0,0,0|1,0,0]=2 1204 B12R0.1 CCCCCOCCC(=O)OCC 7a_100000210253_100011206558 [1,0,0,0,0,0|1,0,0]=2 1205 B12R0.1 CCCCCOCOC(=O)CCC 34a_100000210253_100000034017 [1,0,0,0,0,0|3,0,0]=4 1206 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000210326_100000737597 [1,0,0,0,0,0|2,0,0]=3 1207 B12R0.1 CCCCCSCCC(=O)NCC 62a_100000737597_100000210326 [1,0,0,0,0,0|2,0,0]=3 1208 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000210326_100000765890 [1,0,0,0,0,0|1,0,0]=2 1209 B12R0.1 CCCCCSCCC(=O)OCC 62a_100000765890_100000210326 [1,0,0,0,0,0|1,0,0]=2 1210 B12R0.1 CCCCCSCOC(=O)CCC 62a_100000210326_100000034017 [1,0,0,0,0,0|3,0,0]=4 1211 B12R0.1 CCCCCSCOC(=O)OCC 62a_100000210326_100000075025 [1,0,0,0,0,0|2,0,0]=3 1212 B12R0.1 CCCCNC/C=C/C(=O)OCC 2230a_100000102301_100016267167 [1,0,0,0,0,0|1,0,2]=4 1213 B12R0.1 CCCCNC/C=C/C(=O)OCC 7a_106832991798_100016267167 [1,0,0,0,0,0|1,0,2]=4 1214 B12R0.1 CCCCNCCCC(=O)OCC 2230a_100000102301_100009991533 [1,0,0,0,0,0|1,0,0]=2 1215 B12R0.1 CCCCNCCCC(=O)OCC 7a_106832991798_100011215271 [1,0,0,0,0,0|1,0,0]=2 1216 B12R0.1 CCCCNCCNC(=O)OCC 7a_106832991798_200011445536 [1,0,0,0,0,0|2,0,0]=3 1217 B12R0.1 CCCCOC/C=C/C(=O)OCC 34a_100000210227_100016267167 [1,0,0,0,0,0|1,0,2]=4 1218 B12R0.1 CCCCOC/C=C/C(=O)OCC 7a_100000210227_100016267167 [1,0,0,0,0,0|1,0,2]=4 1219 B12R0.1 CCCCOCCCC(=O)OCC 34a_100000210227_100009991533 [1,0,0,0,0,0|1,0,0]=2 1220 B12R0.1 CCCCOCCCC(=O)OCC 7a_100000210227_100011215271 [1,0,0,0,0,0|1,0,0]=2 1221 B12R0.1 CCCCOCCCC(=O)OCC 7a_100012001163_100000210211 [1,0,0,0,0,0|1,0,0]=2 1222 B12R0.1 CCCCOCCNC(=O)OCC 34a_100000158857_100000210210 [1,0,0,0,0,0|2,0,0]=3 1223 B12R0.1 CCCCOCCNC(=O)OCC 7a_100000210227_200011445536 [1,0,0,0,0,0|2,0,0]=3 1224 B12R0.1 CCCCOCNCC(=O)NCC 2230a_100016988866_100011995733 [1,0,0,0,0,0|3,0,0]=4 1225 B12R0.1 CCCCOCSCC(=O)CCC 62a_100000747444_100011995733 [1,0,0,0,0,0|3,0,0]=4 1226 B12R0.1 CCCCOCSCC(=O)CCC 62a_100011995733_100000747444 [1,0,0,0,0,0|3,0,0]=4 1227 B12R0.1 CCCCOCSCC(=O)NCC 62a_100000183381_100011995733 [1,0,0,0,0,0|3,0,0]=4 1228 B12R0.1 CCCCOCSCC(=O)NCC 62a_100011995733_100000183381 [1,0,0,0,0,0|3,0,0]=4 1229 B12R0.1 CCCCOCSCC(=O)OCC 62a_100000188475_100011995733 [1,0,0,0,0,0|2,0,0]=3 1230 B12R0.1 CCCCOCSCC(=O)OCC 62a_100011995733_100000188475 [1,0,0,0,0,0|2,0,0]=3 1231 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100000210211_100016267167 [1,0,0,0,0,0|1,0,2]=4 1232 B12R0.1 CCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210210 [1,0,0,0,0,0|1,0,2]=4 1233 B12R0.1 CCCCSCCCC(=O)OCC 62a_100000210211_100009991533 [1,0,0,0,0,0|1,0,0]=2 1234 B12R0.1 CCCCSCCCC(=O)OCC 62a_100009991533_100000210210 [1,0,0,0,0,0|1,0,0]=2 1235 B12R0.1 CCCCSCCNC(=O)CCC 11a_100025743550_100000211992 [1,0,0,0,0,0|3,0,0]=4 1236 B12R0.1 CCCCSCCNC(=O)CCC 1626a_100025743550_100000211992 [1,0,0,0,0,0|3,0,0]=4 1237 B12R0.1 CCCCSCCNC(=O)CCC 240690a_100025743550_100000211992 [1,0,0,0,0,0|3,0,0]=4 1238 B12R0.1 CCCCSCCNC(=O)CCC 527a_100025743550_100000211992 [1,0,0,0,0,0|3,0,0]=4 1239 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 1240 B12R0.1 CCCCSCCNC(=O)NCC 2708a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 1241 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 1242 B12R0.1 CCCCSCCNC(=O)NCC 273464a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 1243 B12R0.1 CCCCSCCNC(=O)NCC 512a_100015525214_100025743550 [1,0,0,0,0,0|3,0,0]=4 1244 B12R0.1 CCCCSCCNC(=O)NCC 512a_100025743550_100015525214 [1,0,0,0,0,0|3,0,0]=4 1245 B12R0.1 CCCCSCCNC(=O)OCC 62a_100000210211_200011445536 [1,0,0,0,0,0|2,0,0]=3 1246 B12R0.1 CCCOCCCCC(=O)OCC 34a_100000210258_100000750268 [1,0,0,0,0,0|1,0,0]=2 1247 B12R0.1 CCCOCCCNC(=O)CCC 1626a_100011217757_100000211992 [1,0,0,0,0,0|3,0,0]=4 1248 B12R0.1 CCCOCCCNC(=O)CCC 240690a_100011217757_100000211992 [1,0,0,0,0,0|3,0,0]=4 1249 B12R0.1 CCCOCCCNC(=O)CCC 527a_100011217757_100000211992 [1,0,0,0,0,0|3,0,0]=4 1250 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 1251 B12R0.1 CCCOCCCNC(=O)NCC 2708a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 1252 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 1253 B12R0.1 CCCOCCCNC(=O)NCC 273464a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 1254 B12R0.1 CCCOCCCNC(=O)NCC 512a_100011217757_100015525214 [1,0,0,0,0,0|3,0,0]=4 1255 B12R0.1 CCCOCCCNC(=O)NCC 512a_100015525214_100011217757 [1,0,0,0,0,0|3,0,0]=4 1256 B12R0.1 CCCOCCNCC(=O)CCC 2230a_100161115042_100000747444 [1,0,0,0,0,0|3,0,0]=4 1257 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100016988866_100011215938 [1,0,0,0,0,0|3,0,0]=4 1258 B12R0.1 CCCOCCNCC(=O)NCC 2230a_100161115042_100000183381 [1,0,0,0,0,0|3,0,0]=4 1259 B12R0.1 CCCOCCNCC(=O)NCC 34a_100161115042_100000183381 [1,0,0,0,0,0|3,0,0]=4 1260 B12R0.1 CCCOCCNCC(=O)OCC 2230a_100161115042_100000188475 [1,0,0,0,0,0|2,0,0]=3 1261 B12R0.1 CCCOCCNCC(=O)OCC 34a_100161115042_100000188475 [1,0,0,0,0,0|2,0,0]=3 1262 B12R0.1 CCCOCCOCC(=O)CCC 7a_100000752267_100000747444 [1,0,0,0,0,0|3,0,0]=4 1263 B12R0.1 CCCOCCOCC(=O)NCC 34a_100000752267_100000183381 [1,0,0,0,0,0|3,0,0]=4 1264 B12R0.1 CCCOCCOCC(=O)NCC 7a_100000752267_100000183381 [1,0,0,0,0,0|3,0,0]=4 1265 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000210258_100000088970 [1,0,0,0,0,0|2,0,0]=3 1266 B12R0.1 CCCOCCOCC(=O)OCC 34a_100000752267_100000188475 [1,0,0,0,0,0|2,0,0]=3 1267 B12R0.1 CCCOCCOCC(=O)OCC 7a_100000752267_100000188475 [1,0,0,0,0,0|2,0,0]=3 1268 B12R0.1 CCCOCCSCC(=O)CCC 62a_100000747444_100011215938 [1,0,0,0,0,0|3,0,0]=4 1269 B12R0.1 CCCOCCSCC(=O)CCC 62a_100011215938_100000747444 [1,0,0,0,0,0|3,0,0]=4 1270 B12R0.1 CCCOCCSCC(=O)NCC 62a_100000183381_100011215938 [1,0,0,0,0,0|3,0,0]=4 1271 B12R0.1 CCCOCCSCC(=O)NCC 62a_100011215938_100000183381 [1,0,0,0,0,0|3,0,0]=4 1272 B12R0.1 CCCOCCSCC(=O)OCC 62a_100000188475_100011215938 [1,0,0,0,0,0|2,0,0]=3 1273 B12R0.1 CCCOCCSCC(=O)OCC 62a_100011215938_100000188475 [1,0,0,0,0,0|2,0,0]=3 1274 B12R0.1 CCCOCCSCC(=O)OCC 7a_200000230590_100000210303 [1,0,0,0,0,0|2,0,0]=3 1275 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000210303_100000750268 [1,0,0,0,0,0|1,0,0]=2 1276 B12R0.1 CCCSCCCCC(=O)OCC 62a_100000750268_100000210303 [1,0,0,0,0,0|1,0,0]=2 1277 B12R0.1 CCCSCCNCC(=O)CCC 2230a_100020603323_100000747444 [1,0,0,0,0,0|3,0,0]=4 1278 B12R0.1 CCCSCCNCC(=O)NCC 2230a_100020603323_100000183381 [1,0,0,0,0,0|3,0,0]=4 1279 B12R0.1 CCCSCCNCC(=O)OCC 2230a_100020603323_100000188475 [1,0,0,0,0,0|2,0,0]=3 1280 B12R0.1 CCCSCCOCC(=O)CCC 7a_200000230433_100000747444 [1,0,0,0,0,0|3,0,0]=4 1281 B12R0.1 CCCSCCOCC(=O)NCC 34a_200000230433_100000183381 [1,0,0,0,0,0|3,0,0]=4 1282 B12R0.1 CCCSCCOCC(=O)NCC 7a_200000230433_100000183381 [1,0,0,0,0,0|3,0,0]=4 1283 B12R0.1 CCCSCCOCC(=O)OCC 34a_200000230433_100000188475 [1,0,0,0,0,0|2,0,0]=3 1284 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000088970_100000210303 [1,0,0,0,0,0|2,0,0]=3 1285 B12R0.1 CCCSCCOCC(=O)OCC 62a_100000210303_100000088970 [1,0,0,0,0,0|2,0,0]=3 1286 B12R0.1 CCCSCCOCC(=O)OCC 7a_200000230433_100000188475 [1,0,0,0,0,0|2,0,0]=3 1287 B12R0.1 CCNC(=O)CCCCCCCO 240690a_100015525214_100011219782 [1,0,0,0,0,0|2,0,0]=3 1288 B12R0.1 CCNC(=O)CCNCCCCF 34a_100025743525_100000729493 [1,0,0,0,0,0|3,0,0]=4 1289 B12R0.1 CCNC(=O)CCNCCCCO 2230a_100000750430_100000737597 [1,0,0,0,0,0|3,0,0]=4 1290 B12R0.1 CCNC(=O)CCNCCCCO 34a_100025743525_100011216708 [1,0,0,0,0,0|3,0,0]=4 1291 B12R0.1 CCNC(=O)CCNCCCOC 34a_100025743525_100000740836 [1,0,0,0,0,0|3,0,0]=4 1292 B12R0.1 CCNC(=O)CCNCCCSC 2230a_100000749238_100000737597 [1,0,0,0,0,0|3,0,0]=4 1293 B12R0.1 CCNC(=O)CCNCCOCC 2230a_102516460346_100000737597 [1,0,0,0,0,0|3,0,0]=4 1294 B12R0.1 CCNC(=O)CCNCCOCC 34a_100025743525_100000210147 [1,0,0,0,0,0|3,0,0]=4 1295 B12R0.1 CCNC(=O)CCNCCSCC 2230a_100000106463_100000737597 [1,0,0,0,0,0|3,0,0]=4 1296 B12R0.1 CCNC(=O)CCNCCSCC 34a_100025743525_100000757381 [1,0,0,0,0,0|3,0,0]=4 1297 B12R0.1 CCNC(=O)CCOCCCCCl 7a_100000210776_100000737597 [1,0,0,0,0,0|3,0,0]=4 1298 B12R0.1 CCNC(=O)CCOCCCCF 7a_100011995726_100000737597 [1,0,0,0,0,0|3,0,0]=4 1299 B12R0.1 CCNC(=O)CCOCCCSC 7a_100000690336_100000737597 [1,0,0,0,0,0|3,0,0]=4 1300 B12R0.1 CCNC(=O)CCOCCOCC 7a_100000210136_100000737597 [1,0,0,0,0,0|3,0,0]=4 1301 B12R0.1 CCNC(=O)CCOCCSCC 7a_100000212035_100000737597 [1,0,0,0,0,0|3,0,0]=4 1302 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000729493_100000737597 [1,0,0,0,0,0|3,0,0]=4 1303 B12R0.1 CCNC(=O)CCSCCCCF 62a_100000737597_100000729493 [1,0,0,0,0,0|3,0,0]=4 1304 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000210776_100000737597 [1,0,0,0,0,0|3,0,0]=4 1305 B12R0.1 CCNC(=O)CCSCCCCO 62a_100000737597_100000210776 [1,0,0,0,0,0|3,0,0]=4 1306 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000709357_100000737597 [1,0,0,0,0,0|3,0,0]=4 1307 B12R0.1 CCNC(=O)CCSCCCOC 62a_100000737597_100000709357 [1,0,0,0,0,0|3,0,0]=4 1308 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000210147_100000737597 [1,0,0,0,0,0|3,0,0]=4 1309 B12R0.1 CCNC(=O)CCSCCOCC 62a_100000737597_100011215890 [1,0,0,0,0,0|3,0,0]=4 1310 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000737597_100000757381 [1,0,0,0,0,0|3,0,0]=4 1311 B12R0.1 CCNC(=O)CCSCCSCC 62a_100000757381_100000737597 [1,0,0,0,0,0|3,0,0]=4 1312 B12R0.1 CCNC(=O)CNCCCCCF 2230a_100016988866_100000729378 [1,0,0,0,0,0|3,0,0]=4 1313 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100000762737_100000183381 [1,0,0,0,0,0|3,0,0]=4 1314 B12R0.1 CCNC(=O)CNCCCCCO 2230a_100016988866_100000746330 [1,0,0,0,0,0|3,0,0]=4 1315 B12R0.1 CCNC(=O)CNCCCCCO 34a_100000762737_100000183381 [1,0,0,0,0,0|3,0,0]=4 1316 B12R0.1 CCNC(=O)CNCCCCOC 2230a_100016988866_100000730899 [1,0,0,0,0,0|3,0,0]=4 1317 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100000210961_100000183381 [1,0,0,0,0,0|3,0,0]=4 1318 B12R0.1 CCNC(=O)CNCCCOCC 2230a_100016988866_100012232248 [1,0,0,0,0,0|3,0,0]=4 1319 B12R0.1 CCNC(=O)CNCCCOCC 34a_100000210961_100000183381 [1,0,0,0,0,0|3,0,0]=4 1320 B12R0.1 CCNC(=O)COCCCCCBr 34a_100000746331_100000183381 [1,0,0,0,0,0|3,0,0]=4 1321 B12R0.1 CCNC(=O)COCCCCCBr 7a_100000746331_100000183381 [1,0,0,0,0,0|3,0,0]=4 1322 B12R0.1 CCNC(=O)COCCCCCCl 34a_100000746330_100000183381 [1,0,0,0,0,0|3,0,0]=4 1323 B12R0.1 CCNC(=O)COCCCCCCl 7a_100000746330_100000183381 [1,0,0,0,0,0|3,0,0]=4 1324 B12R0.1 CCNC(=O)COCCCCCI 34a_200012148887_100000183381 [1,0,0,0,0,0|3,0,0]=4 1325 B12R0.1 CCNC(=O)COCCCCCI 7a_200012148887_100000183381 [1,0,0,0,0,0|3,0,0]=4 1326 B12R0.1 CCNC(=O)COCCCCCN 34a_100000762737_100000183381 [1,0,0,0,0,0|3,0,0]=4 1327 B12R0.1 CCNC(=O)COCCCCOC 34a_100000740925_100000183381 [1,0,0,0,0,0|3,0,0]=4 1328 B12R0.1 CCNC(=O)COCCCCSC 34a_100011217163_100000183381 [1,0,0,0,0,0|3,0,0]=4 1329 B12R0.1 CCNC(=O)COCCCCSC 7a_100011217163_100000183381 [1,0,0,0,0,0|3,0,0]=4 1330 B12R0.1 CCNC(=O)COCCCOCC 34a_100000757476_100000183381 [1,0,0,0,0,0|3,0,0]=4 1331 B12R0.1 CCNC(=O)COCCCOCC 7a_100000757476_100000183381 [1,0,0,0,0,0|3,0,0]=4 1332 B12R0.1 CCNC(=O)COCCCSCC 34a_100011216438_100000183381 [1,0,0,0,0,0|3,0,0]=4 1333 B12R0.1 CCNC(=O)COCCCSCC 7a_100011216438_100000183381 [1,0,0,0,0,0|3,0,0]=4 1334 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000183381_100000729378 [1,0,0,0,0,0|3,0,0]=4 1335 B12R0.1 CCNC(=O)CSCCCCCF 62a_100000729378_100000183381 [1,0,0,0,0,0|3,0,0]=4 1336 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000183381_100000746330 [1,0,0,0,0,0|3,0,0]=4 1337 B12R0.1 CCNC(=O)CSCCCCCO 62a_100000746330_100000183381 [1,0,0,0,0,0|3,0,0]=4 1338 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000183381_100000730899 [1,0,0,0,0,0|3,0,0]=4 1339 B12R0.1 CCNC(=O)CSCCCCOC 62a_100000730899_100000183381 [1,0,0,0,0,0|3,0,0]=4 1340 B12R0.1 CCNC(=O)CSCCCOCC 62a_100000183381_100012232248 [1,0,0,0,0,0|3,0,0]=4 1341 B12R0.1 CCNC(=O)CSCCCOCC 62a_100012232248_100000183381 [1,0,0,0,0,0|3,0,0]=4 1342 B12R0.1 CCNC(=O)NCCCCCCO 2708a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 1343 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100000686447_100015525214 [1,0,0,0,0,0|3,0,0]=4 1344 B12R0.1 CCNC(=O)NCCCCCCO 273464a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 1345 B12R0.1 CCNC(=O)NCCCCCCO 512a_100000686447_100015525214 [1,0,0,0,0,0|3,0,0]=4 1346 B12R0.1 CCNC(=O)NCCCCCCO 512a_100015525214_100000686447 [1,0,0,0,0,0|3,0,0]=4 1347 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 1348 B12R0.1 CCNC(=O)NCCCCCOC 2708a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 1349 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 1350 B12R0.1 CCNC(=O)NCCCCCOC 273464a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 1351 B12R0.1 CCNC(=O)NCCCCCOC 512a_100000747528_100015525214 [1,0,0,0,0,0|3,0,0]=4 1352 B12R0.1 CCNC(=O)NCCCCCOC 512a_100015525214_100000747528 [1,0,0,0,0,0|3,0,0]=4 1353 B12R0.1 CCNCCCCCC(=O)OCC 2230a_100015525214_100000755133 [1,0,0,0,0,0|1,0,0]=2 1354 B12R0.1 CCNCCCOCC(=O)OCC 2230a_100015525214_100009893628 [1,0,0,0,0,0|2,0,0]=3 1355 B12R0.1 CCOC(=O)CCCCCCNC 2230a_106832991635_100009814379 [1,0,0,0,0,0|1,0,0]=2 1356 B12R0.1 CCOC(=O)CCCCCCNC 34a_100102657272_100009814379 [1,0,0,0,0,0|1,0,0]=2 1357 B12R0.1 CCOC(=O)CCCCCCNC 7a_106832991635_100009814379 [1,0,0,0,0,0|1,0,0]=2 1358 B12R0.1 CCOC(=O)CCCCCCOC 34a_100138415774_100009814379 [1,0,0,0,0,0|1,0,0]=2 1359 B12R0.1 CCOC(=O)CCCCCCSC 62a_200000210301_100009814379 [1,0,0,0,0,0|1,0,0]=2 1360 B12R0.1 CCOC(=O)CCCCCCS[13CH3] 62a_200025704644_100009814379 [1,0,0,0,0,0|1,0,0]=2 1361 B12R0.1 CCOC(=O)CCCCCOCF 7a_100011214988_100015361967 [1,0,0,0,0,0|2,0,0]=3 1362 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000210202_100000755133 [1,0,0,0,0,0|1,0,0]=2 1363 B12R0.1 CCOC(=O)CCCCCSCC 62a_100000755133_100000210202 [1,0,0,0,0,0|1,0,0]=2 1364 B12R0.1 CCOC(=O)CCCCCSCF 62a_100000755133_100015361967 [1,0,0,0,0,0|2,0,0]=3 1365 B12R0.1 CCOC(=O)CCCCCSCF 62a_100015361967_100000755133 [1,0,0,0,0,0|2,0,0]=3 1366 B12R0.1 CCOC(=O)CCCCNCCF 34a_100000724931_100000750268 [1,0,0,0,0,0|2,0,0]=3 1367 B12R0.1 CCOC(=O)CCCCNCCO 2230a_100016997473_100000750268 [1,0,0,0,0,0|2,0,0]=3 1368 B12R0.1 CCOC(=O)CCCCNCCO 34a_100016990907_100000750268 [1,0,0,0,0,0|2,0,0]=3 1369 B12R0.1 CCOC(=O)CCCCOCCBr 34a_100000211926_100000750268 [1,0,0,0,0,0|2,0,0]=3 1370 B12R0.1 CCOC(=O)CCCCOCCN 34a_100000210304_100000750268 [1,0,0,0,0,0|2,0,0]=3 1371 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100000750268_100011215382 [1,0,0,0,0,0|2,0,1]=4 1372 B12R0.1 CCOC(=O)CCCCSCC#N 62a_100011215382_100000750268 [1,0,0,0,0,0|2,0,1]=4 1373 B12R0.1 CCOC(=O)CCCCSCC=O 62a_100000750268_200015260668 [1,0,0,0,0,0|2,0,1]=4 1374 B12R0.1 CCOC(=O)CCCCSCC=O 62a_200015260668_100000750268 [1,0,0,0,0,0|2,0,1]=4 1375 B12R0.1 CCOC(=O)CCCCSCCF 62a_100000750268_100011217306 [1,0,0,0,0,0|2,0,0]=3 1376 B12R0.1 CCOC(=O)CCCCSCCF 62a_100011217306_100000750268 [1,0,0,0,0,0|2,0,0]=3 1377 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000211926_100000750268 [1,0,0,0,0,0|2,0,0]=3 1378 B12R0.1 CCOC(=O)CCCCSCCO 62a_100000750268_100000211926 [1,0,0,0,0,0|2,0,0]=3 1379 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000750268_100000766300 [1,0,0,0,0,0|2,0,0]=3 1380 B12R0.1 CCOC(=O)CCCCSCOC 62a_100000766300_100000750268 [1,0,0,0,0,0|2,0,0]=3 1381 B12R0.1 CCOC(=O)CCCCSCSC 62a_100000750268_100011218213 [1,0,0,0,0,0|2,0,0]=3 1382 B12R0.1 CCOC(=O)CCCCSCSC 62a_100011218213_100000750268 [1,0,0,0,0,0|2,0,0]=3 1383 B12R0.1 CCOC(=O)CCCNCCCF 2230a_100015189416_100009991533 [1,0,0,0,0,0|2,0,0]=3 1384 B12R0.1 CCOC(=O)CCCNCCCF 34a_100015189416_100009991533 [1,0,0,0,0,0|2,0,0]=3 1385 B12R0.1 CCOC(=O)CCCNCCOC 2230a_100000209980_100009991533 [1,0,0,0,0,0|2,0,0]=3 1386 B12R0.1 CCOC(=O)CCCNCCSC 2230a_100020590264_100009991533 [1,0,0,0,0,0|2,0,0]=3 1387 B12R0.1 CCOC(=O)CCCOCCC#N 7a_100012001163_100000184422 [1,0,0,0,0,0|2,0,1]=4 1388 B12R0.1 CCOC(=O)CCCOCCCBr 34a_100011217188_100009991533 [1,0,0,0,0,0|2,0,0]=3 1389 B12R0.1 CCOC(=O)CCCOCCCCl 34a_100000230001_100009991533 [1,0,0,0,0,0|2,0,0]=3 1390 B12R0.1 CCOC(=O)CCCOCCCF 34a_100000759539_100009991533 [1,0,0,0,0,0|2,0,0]=3 1391 B12R0.1 CCOC(=O)CCCOCCCF 7a_100012001163_100011934791 [1,0,0,0,0,0|2,0,0]=3 1392 B12R0.1 CCOC(=O)CCCOCCCN 34a_100000182051_100009991533 [1,0,0,0,0,0|2,0,0]=3 1393 B12R0.1 CCOC(=O)CCCOCCCO 7a_100012001163_100011215043 [1,0,0,0,0,0|2,0,0]=3 1394 B12R0.1 CCOC(=O)CCCOCCOC 34a_100000210237_100009991533 [1,0,0,0,0,0|2,0,0]=3 1395 B12R0.1 CCOC(=O)CCCOCCOC 7a_100012001163_100000233755 [1,0,0,0,0,0|2,0,0]=3 1396 B12R0.1 CCOC(=O)CCCOCCON 34a_100000700252_100009991533 [1,0,0,0,0,0|3,0,0]=4 1397 B12R0.1 CCOC(=O)CCCOCCSC 34a_100000230434_100009991533 [1,0,0,0,0,0|2,0,0]=3 1398 B12R0.1 CCOC(=O)CCCOCCSC 7a_100000230434_100011215271 [1,0,0,0,0,0|2,0,0]=3 1399 B12R0.1 CCOC(=O)CCCOCCSC 7a_100012001163_100000212216 [1,0,0,0,0,0|2,0,0]=3 1400 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100009991533_100011215226 [1,0,0,0,0,0|2,0,1]=4 1401 B12R0.1 CCOC(=O)CCCSCCC#N 62a_100011215226_100009991533 [1,0,0,0,0,0|2,0,1]=4 1402 B12R0.1 CCOC(=O)CCCSCCCF 62a_100009991533_100011934791 [1,0,0,0,0,0|2,0,0]=3 1403 B12R0.1 CCOC(=O)CCCSCCCF 62a_100011934791_100009991533 [1,0,0,0,0,0|2,0,0]=3 1404 B12R0.1 CCOC(=O)CCCSCCCO 62a_100009991533_100011215043 [1,0,0,0,0,0|2,0,0]=3 1405 B12R0.1 CCOC(=O)CCCSCCCO 62a_100011215043_100009991533 [1,0,0,0,0,0|2,0,0]=3 1406 B12R0.1 CCOC(=O)CCCSCCOC 62a_100000233755_100009991533 [1,0,0,0,0,0|2,0,0]=3 1407 B12R0.1 CCOC(=O)CCCSCCOC 62a_100009991533_100000233755 [1,0,0,0,0,0|2,0,0]=3 1408 B12R0.1 CCOC(=O)CCCSCCSC 62a_100000212216_100009991533 [1,0,0,0,0,0|2,0,0]=3 1409 B12R0.1 CCOC(=O)CCCSCCSC 62a_100009991533_100000751147 [1,0,0,0,0,0|2,0,0]=3 1410 B12R0.1 CCOC(=O)CCNCCCCO 2230a_100000750430_100011206558 [1,0,0,0,0,0|2,0,0]=3 1411 B12R0.1 CCOC(=O)CCNCCCCO 34a_100000750430_100000765890 [1,0,0,0,0,0|2,0,0]=3 1412 B12R0.1 CCOC(=O)CCNCCCOC 34a_100150723488_100000765890 [1,0,0,0,0,0|2,0,0]=3 1413 B12R0.1 CCOC(=O)CCNCCCSC 2230a_100000749238_100011206558 [1,0,0,0,0,0|2,0,0]=3 1414 B12R0.1 CCOC(=O)CCNCCSCC 2230a_100000106463_100011206558 [1,0,0,0,0,0|2,0,0]=3 1415 B12R0.1 CCOC(=O)CCOCCCCBr 34a_100011216708_100000765890 [1,0,0,0,0,0|2,0,0]=3 1416 B12R0.1 CCOC(=O)CCOCCCCCl 34a_100000210776_100000765890 [1,0,0,0,0,0|2,0,0]=3 1417 B12R0.1 CCOC(=O)CCOCCCCCl 7a_100000210776_100011206558 [1,0,0,0,0,0|2,0,0]=3 1418 B12R0.1 CCOC(=O)CCOCCCCF 34a_100011995726_100000765890 [1,0,0,0,0,0|2,0,0]=3 1419 B12R0.1 CCOC(=O)CCOCCCCF 7a_100011995726_100011206558 [1,0,0,0,0,0|2,0,0]=3 1420 B12R0.1 CCOC(=O)CCOCCCCI 34a_200012148704_100000765890 [1,0,0,0,0,0|2,0,0]=3 1421 B12R0.1 CCOC(=O)CCOCCCCN 34a_100000750430_100000765890 [1,0,0,0,0,0|2,0,0]=3 1422 B12R0.1 CCOC(=O)CCOCCCNC 34a_100000213112_100000765890 [1,0,0,0,0,0|2,0,0]=3 1423 B12R0.1 CCOC(=O)CCOCCCOC 34a_100000740835_100000765890 [1,0,0,0,0,0|2,0,0]=3 1424 B12R0.1 CCOC(=O)CCOCCCSC 34a_100000690336_100000765890 [1,0,0,0,0,0|2,0,0]=3 1425 B12R0.1 CCOC(=O)CCOCCCSC 7a_100000690336_100011206558 [1,0,0,0,0,0|2,0,0]=3 1426 B12R0.1 CCOC(=O)CCOCCSCC 34a_100000212035_100000765890 [1,0,0,0,0,0|2,0,0]=3 1427 B12R0.1 CCOC(=O)CCOCCSCC 7a_100000212035_100011206558 [1,0,0,0,0,0|2,0,0]=3 1428 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000687738_100000765890 [1,0,0,0,0,0|2,0,1]=4 1429 B12R0.1 CCOC(=O)CCSCCCC#N 62a_100000765890_100000687738 [1,0,0,0,0,0|2,0,1]=4 1430 B12R0.1 CCOC(=O)CCSCCCC=O 62a_100000765890_200011292268 [1,0,0,0,0,0|2,0,1]=4 1431 B12R0.1 CCOC(=O)CCSCCCC=O 62a_200011292268_100000765890 [1,0,0,0,0,0|2,0,1]=4 1432 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000729493_100000765890 [1,0,0,0,0,0|2,0,0]=3 1433 B12R0.1 CCOC(=O)CCSCCCCF 62a_100000765890_100000729493 [1,0,0,0,0,0|2,0,0]=3 1434 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000210776_100000765890 [1,0,0,0,0,0|2,0,0]=3 1435 B12R0.1 CCOC(=O)CCSCCCCO 62a_100000765890_100000210776 [1,0,0,0,0,0|2,0,0]=3 1436 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000709357_100000765890 [1,0,0,0,0,0|2,0,0]=3 1437 B12R0.1 CCOC(=O)CCSCCCOC 62a_100000765890_100000709357 [1,0,0,0,0,0|2,0,0]=3 1438 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000757381_100000765890 [1,0,0,0,0,0|2,0,0]=3 1439 B12R0.1 CCOC(=O)CCSCCSCC 62a_100000765890_100000757381 [1,0,0,0,0,0|2,0,0]=3 1440 B12R0.1 CCOC(=O)CNCCCCCO 2230a_100000762737_100000188475 [1,0,0,0,0,0|2,0,0]=3 1441 B12R0.1 CCOC(=O)CNCCCCCO 34a_100000762737_100000188475 [1,0,0,0,0,0|2,0,0]=3 1442 B12R0.1 CCOC(=O)CNCCOCCO 2230a_100000211614_100000188475 [1,0,0,0,0,0|3,0,0]=4 1443 B12R0.1 CCOC(=O)CNCCOCCO 34a_100000211614_100000188475 [1,0,0,0,0,0|3,0,0]=4 1444 B12R0.1 CCOC(=O)CNCCSCCO 2230a_100011219999_100000188475 [1,0,0,0,0,0|3,0,0]=4 1445 B12R0.1 CCOC(=O)COCCCCCBr 34a_100000746331_100000188475 [1,0,0,0,0,0|2,0,0]=3 1446 B12R0.1 CCOC(=O)COCCCCCBr 7a_100000746331_100000188475 [1,0,0,0,0,0|2,0,0]=3 1447 B12R0.1 CCOC(=O)COCCCCCCl 34a_100000746330_100000188475 [1,0,0,0,0,0|2,0,0]=3 1448 B12R0.1 CCOC(=O)COCCCCCCl 7a_100000746330_100000188475 [1,0,0,0,0,0|2,0,0]=3 1449 B12R0.1 CCOC(=O)COCCCCCI 34a_200012148887_100000188475 [1,0,0,0,0,0|2,0,0]=3 1450 B12R0.1 CCOC(=O)COCCCCCI 7a_200012148887_100000188475 [1,0,0,0,0,0|2,0,0]=3 1451 B12R0.1 CCOC(=O)COCCCCCN 34a_100000762737_100000188475 [1,0,0,0,0,0|2,0,0]=3 1452 B12R0.1 CCOC(=O)COCCCCOC 34a_100000740925_100000188475 [1,0,0,0,0,0|2,0,0]=3 1453 B12R0.1 CCOC(=O)COCCCCSC 34a_100011217163_100000188475 [1,0,0,0,0,0|2,0,0]=3 1454 B12R0.1 CCOC(=O)COCCCCSC 7a_100011217163_100000188475 [1,0,0,0,0,0|2,0,0]=3 1455 B12R0.1 CCOC(=O)COCCCSCC 34a_100011216438_100000188475 [1,0,0,0,0,0|2,0,0]=3 1456 B12R0.1 CCOC(=O)COCCCSCC 62a_100000210202_100009893628 [1,0,0,0,0,0|2,0,0]=3 1457 B12R0.1 CCOC(=O)COCCCSCC 62a_100009893628_100000210202 [1,0,0,0,0,0|2,0,0]=3 1458 B12R0.1 CCOC(=O)COCCCSCC 7a_100011216438_100000188475 [1,0,0,0,0,0|2,0,0]=3 1459 B12R0.1 CCOC(=O)COCCCSCF 62a_100009893628_100015361967 [1,0,0,0,0,0|3,0,0]=4 1460 B12R0.1 CCOC(=O)COCCCSCF 62a_100015361967_100009893628 [1,0,0,0,0,0|3,0,0]=4 1461 B12R0.1 CCOC(=O)COCCNCCF 34a_100000724931_100000088970 [1,0,0,0,0,0|3,0,0]=4 1462 B12R0.1 CCOC(=O)COCCNCCO 2230a_100016997473_100000088970 [1,0,0,0,0,0|3,0,0]=4 1463 B12R0.1 CCOC(=O)COCCNCCO 34a_100016990907_100000088970 [1,0,0,0,0,0|3,0,0]=4 1464 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000211926_100000088970 [1,0,0,0,0,0|3,0,0]=4 1465 B12R0.1 CCOC(=O)COCCOCCBr 34a_100000692535_100000188475 [1,0,0,0,0,0|3,0,0]=4 1466 B12R0.1 CCOC(=O)COCCOCCBr 7a_100000692535_100000188475 [1,0,0,0,0,0|3,0,0]=4 1467 B12R0.1 CCOC(=O)COCCOCCCl 34a_100011215305_100000188475 [1,0,0,0,0,0|3,0,0]=4 1468 B12R0.1 CCOC(=O)COCCOCCCl 7a_100011215305_100000188475 [1,0,0,0,0,0|3,0,0]=4 1469 B12R0.1 CCOC(=O)COCCOCCF 34a_200015357709_100000188475 [1,0,0,0,0,0|3,0,0]=4 1470 B12R0.1 CCOC(=O)COCCOCCF 7a_200015357709_100000188475 [1,0,0,0,0,0|3,0,0]=4 1471 B12R0.1 CCOC(=O)COCCOCCI 34a_100012149058_100000188475 [1,0,0,0,0,0|3,0,0]=4 1472 B12R0.1 CCOC(=O)COCCOCCI 7a_100012149058_100000188475 [1,0,0,0,0,0|3,0,0]=4 1473 B12R0.1 CCOC(=O)COCCOCCN 34a_100000210304_100000088970 [1,0,0,0,0,0|3,0,0]=4 1474 B12R0.1 CCOC(=O)COCCOCCN 34a_100000211614_100000188475 [1,0,0,0,0,0|3,0,0]=4 1475 B12R0.1 CCOC(=O)COCCSCCF 62a_100000088970_100011217306 [1,0,0,0,0,0|3,0,0]=4 1476 B12R0.1 CCOC(=O)COCCSCCF 62a_100011217306_100000088970 [1,0,0,0,0,0|3,0,0]=4 1477 B12R0.1 CCOC(=O)COCCSCCO 62a_100000088970_100000211926 [1,0,0,0,0,0|3,0,0]=4 1478 B12R0.1 CCOC(=O)COCCSCCO 62a_100000211926_100000088970 [1,0,0,0,0,0|3,0,0]=4 1479 B12R0.1 CCOC(=O)COCCSCOC 62a_100000088970_100000766300 [1,0,0,0,0,0|3,0,0]=4 1480 B12R0.1 CCOC(=O)COCCSCOC 62a_100000766300_100000088970 [1,0,0,0,0,0|3,0,0]=4 1481 B12R0.1 CCOC(=O)COCCSCSC 62a_100000088970_100011218213 [1,0,0,0,0,0|3,0,0]=4 1482 B12R0.1 CCOC(=O)COCCSCSC 62a_100011218213_100000088970 [1,0,0,0,0,0|3,0,0]=4 1483 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100000188475_100000211819 [1,0,0,0,0,0|2,0,1]=4 1484 B12R0.1 CCOC(=O)CSCCCCC#N 62a_100011219923_100000188475 [1,0,0,0,0,0|2,0,1]=4 1485 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000139335_100000188475 [1,0,0,0,0,0|2,0,1]=4 1486 B12R0.1 CCOC(=O)CSCCCCC=O 62a_100000188475_100000139335 [1,0,0,0,0,0|2,0,1]=4 1487 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000188475_100000729378 [1,0,0,0,0,0|2,0,0]=3 1488 B12R0.1 CCOC(=O)CSCCCCCF 62a_100000729378_100000188475 [1,0,0,0,0,0|2,0,0]=3 1489 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000188475_100000746330 [1,0,0,0,0,0|2,0,0]=3 1490 B12R0.1 CCOC(=O)CSCCCCCO 62a_100000746330_100000188475 [1,0,0,0,0,0|2,0,0]=3 1491 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000188475_100000730899 [1,0,0,0,0,0|2,0,0]=3 1492 B12R0.1 CCOC(=O)CSCCCCOC 62a_100000730899_100000188475 [1,0,0,0,0,0|2,0,0]=3 1493 B12R0.1 CCOC(=O)CSCCOCCF 7a_200000230590_100011217306 [1,0,0,0,0,0|3,0,0]=4 1494 B12R0.1 CCOC(=O)CSCCOCCO 62a_100000188475_100011215305 [1,0,0,0,0,0|3,0,0]=4 1495 B12R0.1 CCOC(=O)CSCCOCCO 62a_100011215305_100000188475 [1,0,0,0,0,0|3,0,0]=4 1496 B12R0.1 CCOC(=O)CSCCOCCO 7a_200000230590_100000211926 [1,0,0,0,0,0|3,0,0]=4 1497 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000188475_100000231047 [1,0,0,0,0,0|3,0,0]=4 1498 B12R0.1 CCOC(=O)CSCOCCOC 62a_100000231047_100000188475 [1,0,0,0,0,0|3,0,0]=4 1499 B12R0.1 CCOC(=O)NCCOCCCF 34a_100000158857_100011934791 [1,0,0,0,0,0|3,0,0]=4 1500 B12R0.1 CCOC(=O)NCCOCCCO 34a_100000158857_100000230001 [1,0,0,0,0,0|3,0,0]=4 1501 B12R0.1 CCOC(=O)NCCOCCOC 34a_100000158857_100011201679 [1,0,0,0,0,0|3,0,0]=4 1502 B12R0.1 CCOC(=O)NCCOCCSC 34a_100000158857_100000212216 [1,0,0,0,0,0|3,0,0]=4 1503 B12R0.1 CCOC(=O)NCCOCCSC 7a_100000230434_200011445536 [1,0,0,0,0,0|3,0,0]=4 1504 B12R0.1 CCOC(=O)NCCSCCCF 62a_100011934791_200011445536 [1,0,0,0,0,0|3,0,0]=4 1505 B12R0.1 CCOC(=O)NCCSCCCO 62a_100011215043_200011445536 [1,0,0,0,0,0|3,0,0]=4 1506 B12R0.1 CCOC(=O)NCCSCCOC 62a_100000233755_200011445536 [1,0,0,0,0,0|3,0,0]=4 1507 B12R0.1 CCOC(=O)NCCSCCSC 62a_100000212216_200011445536 [1,0,0,0,0,0|3,0,0]=4 1508 B12R0.1 CCOC(=O)OCSCCCCF 62a_100000729493_100000075025 [1,0,0,0,0,0|3,0,0]=4 1509 B12R0.1 CCOC(=O)OCSCCCCO 62a_100000210776_100000075025 [1,0,0,0,0,0|3,0,0]=4 1510 B12R0.1 CCOC(=O)OCSCCCOC 62a_100000709357_100000075025 [1,0,0,0,0,0|3,0,0]=4 1511 B12R0.1 CCOC(=O)OCSCCSCC 62a_100000757381_100000075025 [1,0,0,0,0,0|3,0,0]=4 1512 B12R0.1 CCOCCCCCC(=O)OCC 34a_100121572206_100000755133 [1,0,0,0,0,0|1,0,0]=2 1513 B12R0.1 CCOCCCCCC(=O)OCC 7a_100011214988_100000210202 [1,0,0,0,0,0|1,0,0]=2 1514 B12R0.1 CCOCCCNCC(=O)OCC 2230a_100000210961_100000188475 [1,0,0,0,0,0|2,0,0]=3 1515 B12R0.1 CCOCCCNCC(=O)OCC 34a_100000210961_100000188475 [1,0,0,0,0,0|2,0,0]=3 1516 B12R0.1 CCOCCCOCC(=O)OCC 34a_100000757476_100000188475 [1,0,0,0,0,0|2,0,0]=3 1517 B12R0.1 CCOCCCOCC(=O)OCC 34a_100121572206_100009893628 [1,0,0,0,0,0|2,0,0]=3 1518 B12R0.1 CCOCCCOCC(=O)OCC 7a_100000757476_100000188475 [1,0,0,0,0,0|2,0,0]=3 1519 B12R0.1 CCOCCCSCC(=O)OCC 62a_100000188475_100012232248 [1,0,0,0,0,0|2,0,0]=3 1520 B12R0.1 CCOCCCSCC(=O)OCC 62a_100012232248_100000188475 [1,0,0,0,0,0|2,0,0]=3 1521 B12R0.1 CCOCCNCCC(=O)OCC 2230a_102516460346_100011206558 [1,0,0,0,0,0|2,0,0]=3 1522 B12R0.1 CCOCCNCCC(=O)OCC 34a_102516460346_100000765890 [1,0,0,0,0,0|2,0,0]=3 1523 B12R0.1 CCOCCOCCC(=O)OCC 34a_100000210136_100000765890 [1,0,0,0,0,0|2,0,0]=3 1524 B12R0.1 CCOCCOCCC(=O)OCC 7a_100000210136_100011206558 [1,0,0,0,0,0|2,0,0]=3 1525 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000210147_100000765890 [1,0,0,0,0,0|2,0,0]=3 1526 B12R0.1 CCOCCSCCC(=O)OCC 62a_100000765890_100011215890 [1,0,0,0,0,0|2,0,0]=3 1527 B12R0.1 CCOCCSCOC(=O)OCC 62a_100000210147_100000075025 [1,0,0,0,0,0|3,0,0]=4 1528 B12R0.1 CCOCSCCCC(=O)OCC 62a_100000739092_100009991533 [1,0,0,0,0,0|2,0,0]=3 1529 B12R0.1 CCOCSCCCC(=O)OCC 62a_100009991533_100000739092 [1,0,0,0,0,0|2,0,0]=3 1530 B12R0.1 CCOCSCCNC(=O)OCC 62a_100000739092_200011445536 [1,0,0,0,0,0|3,0,0]=4 1531 B12R0.1 CNNC(=O)CCCCCCCO 22a_100016993582_100011219782 [1,0,0,0,0,0|3,0,0]=4 1532 B12R0.1 COCC(=O)CCCCCCCO 1458a_100000210968_100000760002 [1,0,0,0,0,0|3,0,0]=4 1533 B12R0.1 COCCCCCCC(=O)CCO 1458a_100011216618_100011998445 [1,0,0,0,0,0|3,0,0]=4 1534 B12R0.1 COCCCCCCC(=O)COC 1458a_100000210968_100011998445 [1,0,0,0,0,0|3,0,0]=4 1535 B12R0.1 COCCCCCCC(=O)CSC 1458a_100000184570_100011998445 [1,0,0,0,0,0|3,0,0]=4 1536 B12R0.1 CSCC(=O)CCCCCCCO 1458a_100000184570_100000760002 [1,0,0,0,0,0|3,0,0]=4 1537 B12R0.1 O=C(CCF)CCCCCCCO 1458a_100011219782_100011217306 [1,0,0,0,0,0|3,0,0]=4 1538 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011216618_100000760002 [1,0,0,0,0,0|3,0,0]=4 1539 B12R0.1 O=C(CCO)CCCCCCCO 1458a_100011219782_100000211926 [1,0,0,0,0,0|3,0,0]=4 1540 B12R0.5 C#CCCCCCCCCOCC 34a_100000065265_100000210202 [1,0,0,0,0,0|0,0,3]=4 1541 B12R0.5 C#CCCCCCCCCOCC 7a_100000065265_100000210202 [1,0,0,0,0,0|0,0,3]=4 1542 B12R0.5 C=CCCCCCCCCOCC 34a_100011215194_100000210202 [1,0,0,0,0,0|0,0,3]=4 1543 B12R0.5 C=CCCCCCCCCOCC 34a_100121572206_100011933949 [1,0,0,0,0,0|0,0,3]=4 1544 B12R0.5 C=CCCCCCCCCOCC 7a_100011215194_100000210202 [1,0,0,0,0,0|0,0,3]=4 1545 B12R0.5 CC/C=C/CCCOCCCCC 34a_100016287902_100000718602 [1,0,0,0,0,0|2,0,0]=3 1546 B12R0.5 CC/C=C/CCCOCCCCC 7a_100016287902_100000210326 [1,0,0,0,0,0|2,0,0]=3 1547 B12R0.5 CC/C=C/CCCOCCCCF 34a_100016287902_100000729493 [1,0,0,0,0,0|3,0,0]=4 1548 B12R0.5 CC/C=C/CCCOCCCCF 7a_100016287902_100000729493 [1,0,0,0,0,0|3,0,0]=4 1549 B12R0.5 CC/C=C/CCCOCCCCO 34a_100016287902_100011216708 [1,0,0,0,0,0|3,0,0]=4 1550 B12R0.5 CC/C=C/CCCOCCCCO 7a_100016287902_100000210776 [1,0,0,0,0,0|3,0,0]=4 1551 B12R0.5 CC/C=C/CCCOCCCOC 34a_100016287902_100000740836 [1,0,0,0,0,0|3,0,0]=4 1552 B12R0.5 CC/C=C/CCCOCCCOC 7a_100016287902_100000740836 [1,0,0,0,0,0|3,0,0]=4 1553 B12R0.5 CC/C=C/CCCOCCOCC 34a_100016287902_100000210147 [1,0,0,0,0,0|3,0,0]=4 1554 B12R0.5 CC/C=C/CCCOCCOCC 7a_100016287902_100011215890 [1,0,0,0,0,0|3,0,0]=4 1555 B12R0.5 CC/C=C/CCCOCCSCC 34a_100016287902_100000757381 [1,0,0,0,0,0|3,0,0]=4 1556 B12R0.5 CC/C=C/CCCOCCSCC 7a_100016287902_100000757381 [1,0,0,0,0,0|3,0,0]=4 1557 B12R0.5 CC/C=C\CCCCCCCNC 269862a_106832991636_200025770492 [1,0,0,0,0,0|2,0,0]=3 1558 B12R0.5 CC/C=C\CCCCCNCCC 269862a_100020643023_100016288537 [1,0,0,0,0,0|2,0,0]=3 1559 B12R0.5 CC/C=C\CCCCCNCCF 269862a_100000724931_100016288537 [1,0,0,0,0,0|3,0,0]=4 1560 B12R0.5 CC/C=C\CCCCCNCCO 269862a_100000210304_100016288537 [1,0,0,0,0,0|3,0,0]=4 1561 B12R0.5 CC/C=C\CCCCCOCCC 34a_100016268722_100000210303 [1,0,0,0,0,0|2,0,0]=3 1562 B12R0.5 CC/C=C\CCCCCOCCC 7a_100016268722_100000210303 [1,0,0,0,0,0|2,0,0]=3 1563 B12R0.5 CC/C=C\CCCCCOCCF 34a_100016268722_100011217306 [1,0,0,0,0,0|3,0,0]=4 1564 B12R0.5 CC/C=C\CCCCCOCCF 7a_100016268722_100011217306 [1,0,0,0,0,0|3,0,0]=4 1565 B12R0.5 CC/C=C\CCCCCOCCO 34a_100016268722_100000211926 [1,0,0,0,0,0|3,0,0]=4 1566 B12R0.5 CC/C=C\CCCCCOCCO 7a_100016268722_100000211926 [1,0,0,0,0,0|3,0,0]=4 1567 B12R0.5 CC/C=C\CCCCCOCSC 34a_100016268722_100011218213 [1,0,0,0,0,0|3,0,0]=4 1568 B12R0.5 CC/C=C\CCCCOCCCC 34a_100016287862_100000210210 [1,0,0,0,0,0|2,0,0]=3 1569 B12R0.5 CC/C=C\CCCCOCCCC 7a_100016287862_100000210211 [1,0,0,0,0,0|2,0,0]=3 1570 B12R0.5 CC/C=C\CCCCOCCCF 34a_100016287862_100011934791 [1,0,0,0,0,0|3,0,0]=4 1571 B12R0.5 CC/C=C\CCCCOCCCF 7a_100016287862_100011934791 [1,0,0,0,0,0|3,0,0]=4 1572 B12R0.5 CC/C=C\CCCCOCCCO 34a_100016287862_100000230001 [1,0,0,0,0,0|3,0,0]=4 1573 B12R0.5 CC/C=C\CCCCOCCCO 7a_100016287862_100011215043 [1,0,0,0,0,0|3,0,0]=4 1574 B12R0.5 CC/C=C\CCCCOCCOC 34a_100016287862_100011201679 [1,0,0,0,0,0|3,0,0]=4 1575 B12R0.5 CC/C=C\CCCCOCCOC 7a_100016287862_100000233755 [1,0,0,0,0,0|3,0,0]=4 1576 B12R0.5 CC/C=C\CCCCOCCSC 34a_100016287862_100000212216 [1,0,0,0,0,0|3,0,0]=4 1577 B12R0.5 CC/C=C\CCCCOCCSC 7a_100016287862_100000212216 [1,0,0,0,0,0|3,0,0]=4 1578 B12R0.5 CC/C=C\CCNCCCCCC 2230a_100000210581_100015370543 [1,0,0,0,0,0|2,0,0]=3 1579 B12R0.5 CC/C=C\CCNCCCCCO 2230a_100000762737_100015370543 [1,0,0,0,0,0|3,0,0]=4 1580 B12R0.5 CC/C=C\CCNCCCCCO 34a_100000762737_100015370543 [1,0,0,0,0,0|3,0,0]=4 1581 B12R0.5 CC/C=C\CCNCCCOCC 2230a_100000210961_100015370543 [1,0,0,0,0,0|3,0,0]=4 1582 B12R0.5 CC/C=C\CCNCCCOCC 34a_100000210961_100015370543 [1,0,0,0,0,0|3,0,0]=4 1583 B12R0.5 CC/C=C\CCNCCOCCC 2230a_100161115042_100015370543 [1,0,0,0,0,0|3,0,0]=4 1584 B12R0.5 CC/C=C\CCNCCOCCC 34a_100161115042_100015370543 [1,0,0,0,0,0|3,0,0]=4 1585 B12R0.5 CC/C=C\CCNCCSCCC 2230a_100020603323_100015370543 [1,0,0,0,0,0|3,0,0]=4 1586 B12R0.5 CC/C=C\CCOCCCCCBr 34a_100000746331_100015370543 [1,0,0,0,0,0|3,0,0]=4 1587 B12R0.5 CC/C=C\CCOCCCCCBr 7a_100000746331_100015370543 [1,0,0,0,0,0|3,0,0]=4 1588 B12R0.5 CC/C=C\CCOCCCCCC 34a_100000210259_100015370543 [1,0,0,0,0,0|2,0,0]=3 1589 B12R0.5 CC/C=C\CCOCCCCCC 34a_100016288707_100000210314 [1,0,0,0,0,0|2,0,0]=3 1590 B12R0.5 CC/C=C\CCOCCCCCC 7a_100000210259_100015370543 [1,0,0,0,0,0|2,0,0]=3 1591 B12R0.5 CC/C=C\CCOCCCCCC 7a_100016288707_100000210314 [1,0,0,0,0,0|2,0,0]=3 1592 B12R0.5 CC/C=C\CCOCCCCCCl 34a_100000746330_100015370543 [1,0,0,0,0,0|3,0,0]=4 1593 B12R0.5 CC/C=C\CCOCCCCCCl 7a_100000746330_100015370543 [1,0,0,0,0,0|3,0,0]=4 1594 B12R0.5 CC/C=C\CCOCCCCCF 34a_100016288707_100000729378 [1,0,0,0,0,0|3,0,0]=4 1595 B12R0.5 CC/C=C\CCOCCCCCF 7a_100016288707_100000729378 [1,0,0,0,0,0|3,0,0]=4 1596 B12R0.5 CC/C=C\CCOCCCCCI 34a_200012148887_100015370543 [1,0,0,0,0,0|3,0,0]=4 1597 B12R0.5 CC/C=C\CCOCCCCCI 7a_200012148887_100015370543 [1,0,0,0,0,0|3,0,0]=4 1598 B12R0.5 CC/C=C\CCOCCCCCN 34a_100000762737_100015370543 [1,0,0,0,0,0|3,0,0]=4 1599 B12R0.5 CC/C=C\CCOCCCCCO 34a_100016288707_100000746330 [1,0,0,0,0,0|3,0,0]=4 1600 B12R0.5 CC/C=C\CCOCCCCCO 7a_100016288707_100000746330 [1,0,0,0,0,0|3,0,0]=4 1601 B12R0.5 CC/C=C\CCOCCCCOC 34a_100000740925_100015370543 [1,0,0,0,0,0|3,0,0]=4 1602 B12R0.5 CC/C=C\CCOCCCCOC 34a_100016288707_100000755781 [1,0,0,0,0,0|3,0,0]=4 1603 B12R0.5 CC/C=C\CCOCCCCOC 7a_100016288707_100000730899 [1,0,0,0,0,0|3,0,0]=4 1604 B12R0.5 CC/C=C\CCOCCCCSC 34a_100011217163_100015370543 [1,0,0,0,0,0|3,0,0]=4 1605 B12R0.5 CC/C=C\CCOCCCCSC 7a_100011217163_100015370543 [1,0,0,0,0,0|3,0,0]=4 1606 B12R0.5 CC/C=C\CCOCCCOCC 34a_100000757476_100015370543 [1,0,0,0,0,0|3,0,0]=4 1607 B12R0.5 CC/C=C\CCOCCCOCC 34a_100016288707_100012232248 [1,0,0,0,0,0|3,0,0]=4 1608 B12R0.5 CC/C=C\CCOCCCOCC 7a_100000757476_100015370543 [1,0,0,0,0,0|3,0,0]=4 1609 B12R0.5 CC/C=C\CCOCCCOCC 7a_100016288707_100012232248 [1,0,0,0,0,0|3,0,0]=4 1610 B12R0.5 CC/C=C\CCOCCCSCC 34a_100011216438_100015370543 [1,0,0,0,0,0|3,0,0]=4 1611 B12R0.5 CC/C=C\CCOCCCSCC 7a_100011216438_100015370543 [1,0,0,0,0,0|3,0,0]=4 1612 B12R0.5 CC/C=C\CCOCCOCCC 34a_100000752267_100015370543 [1,0,0,0,0,0|3,0,0]=4 1613 B12R0.5 CC/C=C\CCOCCOCCC 34a_100016288707_100011215938 [1,0,0,0,0,0|3,0,0]=4 1614 B12R0.5 CC/C=C\CCOCCOCCC 7a_100000752267_100015370543 [1,0,0,0,0,0|3,0,0]=4 1615 B12R0.5 CC/C=C\CCOCCOCCC 7a_100016288707_100011215938 [1,0,0,0,0,0|3,0,0]=4 1616 B12R0.5 CC/C=C\CCOCCSCCC 34a_200000230433_100015370543 [1,0,0,0,0,0|3,0,0]=4 1617 B12R0.5 CC/C=C\CCOCCSCCC 7a_200000230433_100015370543 [1,0,0,0,0,0|3,0,0]=4 1618 B12R0.5 CC/C=C\CCOCOCCCC 34a_100016288707_100011995733 [1,0,0,0,0,0|3,0,0]=4 1619 B12R0.5 CC/C=C\CCSCCCCCC 62a_100000210314_100015370543 [1,0,0,0,0,0|2,0,0]=3 1620 B12R0.5 CC/C=C\CCSCCCCCC 62a_100015370543_100000210757 [1,0,0,0,0,0|2,0,0]=3 1621 B12R0.5 CC/C=C\CCSCCCCCF 62a_100000729378_100015370543 [1,0,0,0,0,0|3,0,0]=4 1622 B12R0.5 CC/C=C\CCSCCCCCF 62a_100015370543_100000729378 [1,0,0,0,0,0|3,0,0]=4 1623 B12R0.5 CC/C=C\CCSCCCCCO 62a_100000746330_100015370543 [1,0,0,0,0,0|3,0,0]=4 1624 B12R0.5 CC/C=C\CCSCCCCCO 62a_100015370543_100000746330 [1,0,0,0,0,0|3,0,0]=4 1625 B12R0.5 CC/C=C\CCSCCCCOC 62a_100000730899_100015370543 [1,0,0,0,0,0|3,0,0]=4 1626 B12R0.5 CC/C=C\CCSCCCCOC 62a_100015370543_100000730899 [1,0,0,0,0,0|3,0,0]=4 1627 B12R0.5 CC/C=C\CCSCCCOCC 62a_100012232248_100015370543 [1,0,0,0,0,0|3,0,0]=4 1628 B12R0.5 CC/C=C\CCSCCCOCC 62a_100015370543_100012232248 [1,0,0,0,0,0|3,0,0]=4 1629 B12R0.5 CC/C=C\CCSCCOCCC 62a_100011215938_100015370543 [1,0,0,0,0,0|3,0,0]=4 1630 B12R0.5 CC/C=C\CCSCCOCCC 62a_100015370543_100011215938 [1,0,0,0,0,0|3,0,0]=4 1631 B12R0.5 CC/C=C\CCSCOCCCC 62a_100011995733_100015370543 [1,0,0,0,0,0|3,0,0]=4 1632 B12R0.5 CC/C=C\CCSCOCCCC 62a_100015370543_100011995733 [1,0,0,0,0,0|3,0,0]=4 1633 B12R0.5 CC/C=C\CNCCCCCCC 2230a_100000229938_100103147603 [1,0,0,0,0,0|2,0,0]=3 1634 B12R0.5 CC/C=C\CNCCCCCCO 2230a_100000686447_100103147603 [1,0,0,0,0,0|3,0,0]=4 1635 B12R0.5 CC/C=C\CNCCCCCCO 34a_100000686447_100103147603 [1,0,0,0,0,0|3,0,0]=4 1636 B12R0.5 CC/C=C\CNCCCCCOC 2230a_100000747528_100103147603 [1,0,0,0,0,0|3,0,0]=4 1637 B12R0.5 CC/C=C\CNCCCCCOC 34a_100000747528_100103147603 [1,0,0,0,0,0|3,0,0]=4 1638 B12R0.5 CC/C=C\CNCCCOCCC 2230a_100011217757_100103147603 [1,0,0,0,0,0|3,0,0]=4 1639 B12R0.5 CC/C=C\CNCCCOCCC 34a_100011217757_100103147603 [1,0,0,0,0,0|3,0,0]=4 1640 B12R0.5 CC/C=C\CNCCSCCCC 2230a_100025743550_100103147603 [1,0,0,0,0,0|3,0,0]=4 1641 B12R0.5 CC/C=C\COCCCCCCBr 34a_100011215345_100103147603 [1,0,0,0,0,0|3,0,0]=4 1642 B12R0.5 CC/C=C\COCCCCCCBr 7a_100011215345_100103147603 [1,0,0,0,0,0|3,0,0]=4 1643 B12R0.5 CC/C=C\COCCCCCCC 34a_100000210272_100103147603 [1,0,0,0,0,0|2,0,0]=3 1644 B12R0.5 CC/C=C\COCCCCCCC 34a_100016268518_100000210614 [1,0,0,0,0,0|2,0,0]=3 1645 B12R0.5 CC/C=C\COCCCCCCC 7a_100000210272_100103147603 [1,0,0,0,0,0|2,0,0]=3 1646 B12R0.5 CC/C=C\COCCCCCCCl 34a_100000766143_100103147603 [1,0,0,0,0,0|3,0,0]=4 1647 B12R0.5 CC/C=C\COCCCCCCCl 7a_100000766143_100103147603 [1,0,0,0,0,0|3,0,0]=4 1648 B12R0.5 CC/C=C\COCCCCCCF 34a_100000732779_100103147603 [1,0,0,0,0,0|3,0,0]=4 1649 B12R0.5 CC/C=C\COCCCCCCF 34a_100016268518_100015922095 [1,0,0,0,0,0|3,0,0]=4 1650 B12R0.5 CC/C=C\COCCCCCCF 7a_100000732779_100103147603 [1,0,0,0,0,0|3,0,0]=4 1651 B12R0.5 CC/C=C\COCCCCCCN 34a_100000686447_100103147603 [1,0,0,0,0,0|3,0,0]=4 1652 B12R0.5 CC/C=C\COCCCCCCO 34a_100016268518_100000766143 [1,0,0,0,0,0|3,0,0]=4 1653 B12R0.5 CC/C=C\COCCCCCNC 34a_100000722520_100103147603 [1,0,0,0,0,0|3,0,0]=4 1654 B12R0.5 CC/C=C\COCCOCCCC 34a_100000210238_100103147603 [1,0,0,0,0,0|3,0,0]=4 1655 B12R0.5 CC/C=C\COCCOCCCC 34a_100016268518_100000743108 [1,0,0,0,0,0|3,0,0]=4 1656 B12R0.5 CC/C=C\COCCOCCCC 7a_100000210238_100103147603 [1,0,0,0,0,0|3,0,0]=4 1657 B12R0.5 CC/C=C\COCCSCCCC 34a_200000230436_100103147603 [1,0,0,0,0,0|3,0,0]=4 1658 B12R0.5 CC/C=C\COCCSCCCC 7a_200000230436_100103147603 [1,0,0,0,0,0|3,0,0]=4 1659 B12R0.5 CC/C=C\CSCCCCCCC 62a_100000210614_100103147603 [1,0,0,0,0,0|2,0,0]=3 1660 B12R0.5 CC/C=C\CSCCCCCCC 62a_100103147603_100000210316 [1,0,0,0,0,0|2,0,0]=3 1661 B12R0.5 CC/C=C\CSCCCCCCF 62a_100015922095_100103147603 [1,0,0,0,0,0|3,0,0]=4 1662 B12R0.5 CC/C=C\CSCCCCCCF 62a_100103147603_100015922095 [1,0,0,0,0,0|3,0,0]=4 1663 B12R0.5 CC/C=C\CSCCCCCCO 62a_100000766143_100103147603 [1,0,0,0,0,0|3,0,0]=4 1664 B12R0.5 CC/C=C\CSCCCCCCO 62a_100103147603_100000766143 [1,0,0,0,0,0|3,0,0]=4 1665 B12R0.5 CC/C=C\CSCCOCCCC 62a_100000743108_100103147603 [1,0,0,0,0,0|3,0,0]=4 1666 B12R0.5 CC/C=C\CSCCOCCCC 62a_100103147603_100000743108 [1,0,0,0,0,0|3,0,0]=4 1667 B12R0.5 CC=C=CCCOCCCCCC 34a_100011020354_100000210314 [1,0,0,0,0,0|2,0,1]=4 1668 B12R0.5 CCC#CCCCCCCNCC 2230a_100015525214_200000036426 [1,0,0,0,0,0|2,0,1]=4 1669 B12R0.5 CCC#CCCCCCCOCC 34a_100121572206_200000036426 [1,0,0,0,0,0|0,0,3]=4 1670 B12R0.5 CCC#CCCCCCCSCC 62a_100000210202_200000036426 [1,0,0,0,0,0|2,0,1]=4 1671 B12R0.5 CCC#CCCCCCCSCC 62a_200000036426_100000210202 [1,0,0,0,0,0|2,0,1]=4 1672 B12R0.5 CCC#CCCOCCCCCC 34a_100000036655_100000210314 [1,0,0,0,0,0|2,0,1]=4 1673 B12R0.5 CCC#CCCOCCCCCC 7a_100000036655_100000210314 [1,0,0,0,0,0|2,0,1]=4 1674 B12R0.5 CCC#CCNCCCCCCC 2230a_100000229938_100009813939 [1,0,0,0,0,0|2,0,1]=4 1675 B12R0.5 CCC#CCOCCCCCCC 34a_100000032950_100000210614 [1,0,0,0,0,0|2,0,1]=4 1676 B12R0.5 CCC#CCOCCCCCCC 34a_100000210272_100009813939 [1,0,0,0,0,0|2,0,1]=4 1677 B12R0.5 CCC#CCOCCCCCCC 7a_100000210272_100009813939 [1,0,0,0,0,0|2,0,1]=4 1678 B12R0.5 CCC#CCSCCCCCCC 62a_100000210614_100009813939 [1,0,0,0,0,0|2,0,1]=4 1679 B12R0.5 CCC#CCSCCCCCCC 62a_100009813939_100000210316 [1,0,0,0,0,0|2,0,1]=4 1680 B12R0.5 CCC/C=C/COCCCCCC 34a_100016278788_100000210314 [1,0,0,0,0,0|2,0,1]=4 1681 B12R0.5 CCC/C=C/COCCCCCC 7a_100016278788_100000210314 [1,0,0,0,0,0|2,0,1]=4 1682 B12R0.5 CCCC/C=C/CCCCOCC 34a_200020645093_100000210202 [1,0,0,0,0,0|0,0,3]=4 1683 B12R0.5 CCCC/C=C/CCCCOCC 7a_200020645093_100000210202 [1,0,0,0,0,0|0,0,3]=4 1684 B12R0.5 CCCCC#CCCCCOCC 34a_200000066234_100000210202 [1,0,0,0,0,0|0,0,3]=4 1685 B12R0.5 CCCCC#CCCCCOCC 7a_200000066234_100000210202 [1,0,0,0,0,0|0,0,3]=4 1686 B12R0.5 CCCCC/C=C\CCCOCC 34a_100020655193_100000210202 [1,0,0,0,0,0|0,0,3]=4 1687 B12R0.5 CCCCC/C=C\CCCOCC 7a_100020655193_100000210202 [1,0,0,0,0,0|0,0,3]=4 1688 B12R0.5 CCCCCCC#CCCOCC 34a_200000033163_100000210202 [1,0,0,0,0,0|0,0,3]=4 1689 B12R0.5 CCCCCCC#CCCOCC 7a_200000033163_100000210202 [1,0,0,0,0,0|0,0,3]=4 1690 B12R0.5 CCCCCCCC#CCOCC 34a_200000061759_100000210202 [1,0,0,0,0,0|0,0,3]=4 1691 B12R0.5 CCCCCCCC#CCOCC 7a_200000061759_100000210202 [1,0,0,0,0,0|0,0,3]=4 1692 B12R0.5 CCCCCCCC/C=C/COC 34a_200020667288_200000210301 [1,0,0,0,0,0|2,0,1]=4 1693 B12R0.5 CCCCCCCC/C=C/COC 7a_200020667288_200000210301 [1,0,0,0,0,0|2,0,1]=4 1694 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 34a_200020667288_200025704644 [1,0,0,0,0,0|2,0,1]=4 1695 B12R0.5 CCCCCCCC/C=C/CO[13CH3] 7a_200020667288_200025704644 [1,0,0,0,0,0|2,0,1]=4 1696 B12R0.5 CCCCCCCCC=NNCC 4a_100000756455_100011218696 [1,0,0,0,0,0|2,0,1]=4 1697 B12R0.5 CCCCCCCCCCCNC 2230a_106832991635_100011215454 [1,0,0,0,0,0|2,0,1]=4 1698 B12R0.5 CCCCCCCCCCCNC 2230a_200011215754_200000210301 [1,0,0,0,0,0|2,0,1]=4 1699 B12R0.5 CCCCCCCCCCCNC 34a_100102657272_100011215454 [1,0,0,0,0,0|2,0,1]=4 1700 B12R0.5 CCCCCCCCCCCNC 34a_200011215754_200000210301 [1,0,0,0,0,0|2,0,1]=4 1701 B12R0.5 CCCCCCCCCCCNC 7a_106832991635_100011215454 [1,0,0,0,0,0|2,0,1]=4 1702 B12R0.5 CCCCCCCCCCCN[13CH3] 2230a_200011215754_200025704644 [1,0,0,0,0,0|2,0,1]=4 1703 B12R0.5 CCCCCCCCCCCN[13CH3] 34a_200011215754_200025704644 [1,0,0,0,0,0|2,0,1]=4 1704 B12R0.5 CCCCCCCCCCCOC 34a_100000210809_200000210301 [1,0,0,0,0,0|2,0,1]=4 1705 B12R0.5 CCCCCCCCCCCOC 34a_100138415774_100011215454 [1,0,0,0,0,0|2,0,1]=4 1706 B12R0.5 CCCCCCCCCCCOC 7a_100000210809_200000210301 [1,0,0,0,0,0|2,0,1]=4 1707 B12R0.5 CCCCCCCCCCCO[13CH3] 34a_100000210809_200025704644 [1,0,0,0,0,0|2,0,1]=4 1708 B12R0.5 CCCCCCCCCCCO[13CH3] 7a_100000210809_200025704644 [1,0,0,0,0,0|2,0,1]=4 1709 B12R0.5 CCCCCCCCCCCSC 62a_200000210301_100011215454 [1,0,0,0,0,0|2,0,1]=4 1710 B12R0.5 CCCCCCCCCCCS[13CH3] 62a_200025704644_100011215454 [1,0,0,0,0,0|2,0,1]=4 1711 B12R0.5 CCCCCCCCCCNCC 2230a_100000684558_100000210202 [1,0,0,0,0,0|1,0,1]=3 1712 B12R0.5 CCCCCCCCCCNCC 2230a_100015525214_100000210320 [1,0,0,0,0,0|1,0,1]=3 1713 B12R0.5 CCCCCCCCCCNCC 34a_100000684558_100000210202 [1,0,0,0,0,0|1,0,1]=3 1714 B12R0.5 CCCCCCCCCCNCF 34a_100000684558_100015361967 [1,0,0,0,0,0|2,0,1]=4 1715 B12R0.5 CCCCCCCCCCOCC 34a_100000210711_100000210202 [1,0,0,0,0,0|0,0,1]=2 1716 B12R0.5 CCCCCCCCCCOCC 34a_100121572206_100000210320 [1,0,0,0,0,0|0,0,1]=2 1717 B12R0.5 CCCCCCCCCCOCC 7a_100000210711_100000210202 [1,0,0,0,0,0|0,0,1]=2 1718 B12R0.5 CCCCCCCCCCOCF 34a_100000210711_100015361967 [1,0,0,0,0,0|1,0,1]=3 1719 B12R0.5 CCCCCCCCCCOCF 7a_100000210711_100015361967 [1,0,0,0,0,0|1,0,1]=3 1720 B12R0.5 CCCCCCCCCCSCC 62a_100000210202_100000210320 [1,0,0,0,0,0|0,1,1]=3 1721 B12R0.5 CCCCCCCCCCSCF 62a_100015361967_100000210320 [1,0,0,0,0,0|1,1,1]=4 1722 B12R0.5 CCCCCCCCCNCCC 2230a_100000212291_100000210303 [1,0,0,0,0,0|2,0,0]=3 1723 B12R0.5 CCCCCCCCCNCCC 34a_100000212291_100000210303 [1,0,0,0,0,0|2,0,0]=3 1724 B12R0.5 CCCCCCCCCNCCF 2230a_100000212291_100011217306 [1,0,0,0,0,0|3,0,0]=4 1725 B12R0.5 CCCCCCCCCNCCF 34a_100000212291_100011217306 [1,0,0,0,0,0|3,0,0]=4 1726 B12R0.5 CCCCCCCCCNCCF 34a_100000724931_100011214924 [1,0,0,0,0,0|3,0,0]=4 1727 B12R0.5 CCCCCCCCCNCCO 2230a_100000212291_100000211926 [1,0,0,0,0,0|3,0,0]=4 1728 B12R0.5 CCCCCCCCCNCCO 2230a_100016997473_100011214924 [1,0,0,0,0,0|3,0,0]=4 1729 B12R0.5 CCCCCCCCCNCCO 34a_100000212291_100000211926 [1,0,0,0,0,0|3,0,0]=4 1730 B12R0.5 CCCCCCCCCNCCO 34a_100016990907_100011214924 [1,0,0,0,0,0|3,0,0]=4 1731 B12R0.5 CCCCCCCCCNCOC 2230a_100000212291_100000766300 [1,0,0,0,0,0|3,0,0]=4 1732 B12R0.5 CCCCCCCCCNCSC 2230a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1733 B12R0.5 CCCCCCCCCNCSC 34a_100000212291_100011218213 [1,0,0,0,0,0|3,0,0]=4 1734 B12R0.5 CCCCCCCCCOCCBr 34a_100000211926_100011214924 [1,0,0,0,0,0|3,0,0]=4 1735 B12R0.5 CCCCCCCCCOCCC 34a_100000210258_100011214924 [1,0,0,0,0,0|2,0,0]=3 1736 B12R0.5 CCCCCCCCCOCCC 34a_100000210712_100000210303 [1,0,0,0,0,0|2,0,0]=3 1737 B12R0.5 CCCCCCCCCOCCC 7a_100000210712_100000210303 [1,0,0,0,0,0|2,0,0]=3 1738 B12R0.5 CCCCCCCCCOCCF 34a_100000210712_100011217306 [1,0,0,0,0,0|3,0,0]=4 1739 B12R0.5 CCCCCCCCCOCCF 7a_100000210712_100011217306 [1,0,0,0,0,0|3,0,0]=4 1740 B12R0.5 CCCCCCCCCOCCN 34a_100000210304_100011214924 [1,0,0,0,0,0|3,0,0]=4 1741 B12R0.5 CCCCCCCCCOCCO 34a_100000210712_100000211926 [1,0,0,0,0,0|3,0,0]=4 1742 B12R0.5 CCCCCCCCCOCCO 7a_100000210712_100000211926 [1,0,0,0,0,0|3,0,0]=4 1743 B12R0.5 CCCCCCCCCOCSC 34a_100000210712_100011218213 [1,0,0,0,0,0|3,0,0]=4 1744 B12R0.5 CCCCCCCCCSCCC 62a_100000210303_100000210670 [1,0,0,0,0,0|2,0,0]=3 1745 B12R0.5 CCCCCCCCCSCCF 62a_100011217306_100000210670 [1,0,0,0,0,0|3,0,0]=4 1746 B12R0.5 CCCCCCCCCSCCO 62a_100000211926_100000210670 [1,0,0,0,0,0|3,0,0]=4 1747 B12R0.5 CCCCCCCCCSCOC 62a_100000766300_100000210670 [1,0,0,0,0,0|3,0,0]=4 1748 B12R0.5 CCCCCCCCCSCSC 62a_100011218213_100000210670 [1,0,0,0,0,0|3,0,0]=4 1749 B12R0.5 CCCCCCCCNCCCC 2230a_100000102301_100000210759 [1,0,0,0,0,0|2,0,1]=4 1750 B12R0.5 CCCCCCCCNCCCC 2230a_100000229939_100000210211 [1,0,0,0,0,0|2,0,1]=4 1751 B12R0.5 CCCCCCCCNCCCC 34a_100000229939_100000210210 [1,0,0,0,0,0|2,0,1]=4 1752 B12R0.5 CCCCCCCCNCCCC 7a_106832991798_100000210759 [1,0,0,0,0,0|2,0,1]=4 1753 B12R0.5 CCCCCCCCOCCCC 34a_100000210227_100000210759 [1,0,0,0,0,0|2,0,1]=4 1754 B12R0.5 CCCCCCCCOCCCC 34a_100000210232_100000210210 [1,0,0,0,0,0|2,0,1]=4 1755 B12R0.5 CCCCCCCCOCCCC 7a_100000210227_100000210759 [1,0,0,0,0,0|2,0,1]=4 1756 B12R0.5 CCCCCCCCOCCCC 7a_100000210232_100000210211 [1,0,0,0,0,0|2,0,1]=4 1757 B12R0.5 CCCCCCCCSCCCC 62a_100000210211_100000210317 [1,0,0,0,0,0|2,0,1]=4 1758 B12R0.5 CCCCCCCCSCCCC 62a_100000210759_100000210210 [1,0,0,0,0,0|2,0,1]=4 1759 B12R0.5 CCCCCCCCSCOCC 62a_100000210759_100000739092 [1,0,0,0,0,0|1,0,1]=3 1760 B12R0.5 CCCCCCCCSCOCC 62a_100000739092_100000210317 [1,0,0,0,0,0|1,0,1]=3 1761 B12R0.5 CCCCCCCNCCCCC 2230a_100000209983_100000210681 [1,0,0,0,0,0|2,0,1]=4 1762 B12R0.5 CCCCCCCNCCCCC 2230a_100000229938_100000210326 [1,0,0,0,0,0|2,0,1]=4 1763 B12R0.5 CCCCCCCNCCOCC 2230a_100000229938_100011215890 [1,0,0,0,0,0|1,0,1]=3 1764 B12R0.5 CCCCCCCNCCOCC 2230a_102516460346_100000210681 [1,0,0,0,0,0|1,0,1]=3 1765 B12R0.5 CCCCCCCNCCOCC 34a_102516460346_100000210614 [1,0,0,0,0,0|1,0,1]=3 1766 B12R0.5 CCCCCCCNCCSCC 2230a_100000106463_100000210681 [1,0,0,0,0,0|1,1,1]=4 1767 B12R0.5 CCCCCCCNCCSCC 2230a_100000229938_100000757381 [1,0,0,0,0,0|1,1,1]=4 1768 B12R0.5 CCCCCCCOCCCCC 34a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1769 B12R0.5 CCCCCCCOCCCCC 34a_100000210272_100000718602 [1,0,0,0,0,0|2,0,1]=4 1770 B12R0.5 CCCCCCCOCCCCC 7a_100000210253_100000210614 [1,0,0,0,0,0|2,0,1]=4 1771 B12R0.5 CCCCCCCOCCCCC 7a_100000210272_100000210326 [1,0,0,0,0,0|2,0,1]=4 1772 B12R0.5 CCCCCCCOCCOCC 34a_100000210136_100000210614 [1,0,0,0,0,0|1,0,1]=3 1773 B12R0.5 CCCCCCCOCCOCC 34a_100000210272_100000210147 [1,0,0,0,0,0|1,0,1]=3 1774 B12R0.5 CCCCCCCOCCOCC 7a_100000210136_100000210614 [1,0,0,0,0,0|1,0,1]=3 1775 B12R0.5 CCCCCCCOCCOCC 7a_100000210272_100011215890 [1,0,0,0,0,0|1,0,1]=3 1776 B12R0.5 CCCCCCCOCCSCC 34a_100000210272_100000757381 [1,0,0,0,0,0|1,1,1]=4 1777 B12R0.5 CCCCCCCOCCSCC 34a_100000212035_100000210614 [1,0,0,0,0,0|1,1,1]=4 1778 B12R0.5 CCCCCCCOCCSCC 7a_100000210272_100000757381 [1,0,0,0,0,0|1,1,1]=4 1779 B12R0.5 CCCCCCCOCCSCC 7a_100000212035_100000210614 [1,0,0,0,0,0|1,1,1]=4 1780 B12R0.5 CCCCCCCSCCCCC 62a_100000210326_100000210316 [1,0,0,0,0,0|2,0,1]=4 1781 B12R0.5 CCCCCCCSCCCCC 62a_100000210614_100000210326 [1,0,0,0,0,0|2,0,1]=4 1782 B12R0.5 CCCCCCCSCCOCC 62a_100000210147_100000210316 [1,0,0,0,0,0|1,0,1]=3 1783 B12R0.5 CCCCCCCSCCOCC 62a_100000210614_100011215890 [1,0,0,0,0,0|1,0,1]=3 1784 B12R0.5 CCCCCCCSCCSCC 62a_100000210614_100000757381 [1,0,0,0,0,0|1,1,1]=4 1785 B12R0.5 CCCCCCCSCCSCC 62a_100000757381_100000210316 [1,0,0,0,0,0|1,1,1]=4 1786 B12R0.5 CCCCCCNCCCCCC 2230a_100000210581_100000210314 [1,0,0,0,0,0|2,0,1]=4 1787 B12R0.5 CCCCCCNCCCOCC 2230a_100000210581_100012232248 [1,0,0,0,0,0|1,0,1]=3 1788 B12R0.5 CCCCCCNCCCOCC 2230a_100000210961_100000210314 [1,0,0,0,0,0|1,0,1]=3 1789 B12R0.5 CCCCCCNCCCOCC 34a_100000210961_100000210314 [1,0,0,0,0,0|1,0,1]=3 1790 B12R0.5 CCCCCCNCCOCCC 2230a_100000210581_100011215938 [1,0,0,0,0,0|3,0,0]=4 1791 B12R0.5 CCCCCCNCCOCCC 2230a_100161115042_100000210314 [1,0,0,0,0,0|3,0,0]=4 1792 B12R0.5 CCCCCCNCCOCCC 34a_100161115042_100000210314 [1,0,0,0,0,0|3,0,0]=4 1793 B12R0.5 CCCCCCNCCSCCC 2230a_100020603323_100000210314 [1,0,0,0,0,0|3,0,0]=4 1794 B12R0.5 CCCCCCOCCCCCC 34a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1795 B12R0.5 CCCCCCOCCCCCC 7a_100000210259_100000210314 [1,0,0,0,0,0|2,0,1]=4 1796 B12R0.5 CCCCCCOCCCOCC 34a_100000210259_100012232248 [1,0,0,0,0,0|1,0,1]=3 1797 B12R0.5 CCCCCCOCCCOCC 34a_100000757476_100000210314 [1,0,0,0,0,0|1,0,1]=3 1798 B12R0.5 CCCCCCOCCCOCC 7a_100000210259_100012232248 [1,0,0,0,0,0|1,0,1]=3 1799 B12R0.5 CCCCCCOCCCOCC 7a_100000757476_100000210314 [1,0,0,0,0,0|1,0,1]=3 1800 B12R0.5 CCCCCCOCCCSCC 34a_100011216438_100000210314 [1,0,0,0,0,0|1,1,1]=4 1801 B12R0.5 CCCCCCOCCCSCC 7a_100011216438_100000210314 [1,0,0,0,0,0|1,1,1]=4 1802 B12R0.5 CCCCCCOCCOCCC 34a_100000210259_100011215938 [1,0,0,0,0,0|3,0,0]=4 1803 B12R0.5 CCCCCCOCCOCCC 34a_100000691444_100000210303 [1,0,0,0,0,0|3,0,0]=4 1804 B12R0.5 CCCCCCOCCOCCC 34a_100000752267_100000210314 [1,0,0,0,0,0|3,0,0]=4 1805 B12R0.5 CCCCCCOCCOCCC 7a_100000210259_100011215938 [1,0,0,0,0,0|3,0,0]=4 1806 B12R0.5 CCCCCCOCCOCCC 7a_100000691444_100000210303 [1,0,0,0,0,0|3,0,0]=4 1807 B12R0.5 CCCCCCOCCOCCC 7a_100000752267_100000210314 [1,0,0,0,0,0|3,0,0]=4 1808 B12R0.5 CCCCCCOCCSCCC 34a_200000230433_100000210314 [1,0,0,0,0,0|3,0,0]=4 1809 B12R0.5 CCCCCCOCCSCCC 7a_200000230433_100000210314 [1,0,0,0,0,0|3,0,0]=4 1810 B12R0.5 CCCCCCSCCCCCC 62a_100000210314_100000210757 [1,0,0,0,0,0|2,0,1]=4 1811 B12R0.5 CCCCCCSCCCOCC 62a_100000210314_100012232248 [1,0,0,0,0,0|1,0,1]=3 1812 B12R0.5 CCCCCCSCCCOCC 62a_100012232248_100000210757 [1,0,0,0,0,0|1,0,1]=3 1813 B12R0.5 CCCCCCSCCOCCC 62a_100000210314_100011215938 [1,0,0,0,0,0|3,0,0]=4 1814 B12R0.5 CCCCCCSCCOCCC 62a_100011215938_100000210757 [1,0,0,0,0,0|3,0,0]=4 1815 B12R0.5 CCCCCNCCCOCCC 2230a_100011217757_100000210326 [1,0,0,0,0,0|3,0,0]=4 1816 B12R0.5 CCCCCNCCCOCCC 34a_100011217757_100000718602 [1,0,0,0,0,0|3,0,0]=4 1817 B12R0.5 CCCCNCCCCOCCC 34a_200011216965_100000210303 [1,0,0,0,0,0|3,0,0]=4 1818 B12R0.5 CCCCNCCOCCOCC 2230a_100000102301_100011211534 [1,0,0,0,0,0|2,0,1]=4 1819 B12R0.5 CCCCNCCOCCOCC 2230a_100102712874_100000210211 [1,0,0,0,0,0|2,0,1]=4 1820 B12R0.5 CCCCNCCOCCOCC 34a_100102712874_100000210210 [1,0,0,0,0,0|2,0,1]=4 1821 B12R0.5 CCCCNCCOCCOCC 7a_106832991798_100011211534 [1,0,0,0,0,0|2,0,1]=4 1822 B12R0.5 CCCCOCCCCOCCC 34a_200000760531_100000210303 [1,0,0,0,0,0|3,0,0]=4 1823 B12R0.5 CCCCOCCCCOCCC 7a_200000760531_100000210303 [1,0,0,0,0,0|3,0,0]=4 1824 B12R0.5 CCCCOCCNCCOCC 2230a_102516460346_100000743108 [1,0,0,0,0,0|2,0,1]=4 1825 B12R0.5 CCCCOCCNCCOCC 34a_102516460346_100000743108 [1,0,0,0,0,0|2,0,1]=4 1826 B12R0.5 CCCCOCCOCCOCC 34a_100000210136_100000743108 [1,0,0,0,0,0|2,0,1]=4 1827 B12R0.5 CCCCOCCOCCOCC 34a_100000210227_100011211534 [1,0,0,0,0,0|2,0,1]=4 1828 B12R0.5 CCCCOCCOCCOCC 34a_100000210238_100000210147 [1,0,0,0,0,0|2,0,1]=4 1829 B12R0.5 CCCCOCCOCCOCC 34a_100000210240_100000210210 [1,0,0,0,0,0|2,0,1]=4 1830 B12R0.5 CCCCOCCOCCOCC 34a_100011215186_100000210202 [1,0,0,0,0,0|2,0,1]=4 1831 B12R0.5 CCCCOCCOCCOCC 7a_100000210136_100000743108 [1,0,0,0,0,0|2,0,1]=4 1832 B12R0.5 CCCCOCCOCCOCC 7a_100000210227_100011211534 [1,0,0,0,0,0|2,0,1]=4 1833 B12R0.5 CCCCOCCOCCOCC 7a_100000210238_100011215890 [1,0,0,0,0,0|2,0,1]=4 1834 B12R0.5 CCCCOCCOCCOCC 7a_100000210240_100000210211 [1,0,0,0,0,0|2,0,1]=4 1835 B12R0.5 CCCCOCCOCCOCC 7a_100011215186_100000210202 [1,0,0,0,0,0|2,0,1]=4 1836 B12R0.5 CCCCOCCSCCOCC 62a_100000210147_100000743108 [1,0,0,0,0,0|2,0,1]=4 1837 B12R0.5 CCCCOCCSCCOCC 62a_100000743108_100011215890 [1,0,0,0,0,0|2,0,1]=4 1838 B12R0.5 CCCCOCNCCCOCC 2230a_100000210961_100011995733 [1,0,0,0,0,0|2,0,1]=4 1839 B12R0.5 CCCCOCNCCCOCC 34a_100000210961_100011995733 [1,0,0,0,0,0|2,0,1]=4 1840 B12R0.5 CCCCOCOCCCOCC 34a_100000757476_100011995733 [1,0,0,0,0,0|2,0,1]=4 1841 B12R0.5 CCCCOCSCCCOCC 62a_100011995733_100012232248 [1,0,0,0,0,0|2,0,1]=4 1842 B12R0.5 CCCCOCSCCCOCC 62a_100012232248_100011995733 [1,0,0,0,0,0|2,0,1]=4 1843 B12R0.5 CCCCSCCNCCOCC 2230a_100025743550_100011215890 [1,0,0,0,0,0|2,0,1]=4 1844 B12R0.5 CCCCSCCOCCOCC 34a_200000230436_100000210147 [1,0,0,0,0,0|2,0,1]=4 1845 B12R0.5 CCCCSCCOCCOCC 62a_100000210211_100011211534 [1,0,0,0,0,0|2,0,1]=4 1846 B12R0.5 CCCCSCCOCCOCC 62a_100011211534_100000210210 [1,0,0,0,0,0|2,0,1]=4 1847 B12R0.5 CCCCSCCOCCOCC 7a_200000230436_100011215890 [1,0,0,0,0,0|2,0,1]=4 1848 B12R0.5 CCCNCCCCCCCCO 2230a_102515433106_100000210303 [1,0,0,0,0,0|3,0,0]=4 1849 B12R0.5 CCCNCCCCCCCCO 34a_102515433106_100000210303 [1,0,0,0,0,0|3,0,0]=4 1850 B12R0.5 CCCOCCCCCCCCBr 34a_100009813846_100000210303 [1,0,0,0,0,0|3,0,0]=4 1851 B12R0.5 CCCOCCCCCCCCBr 7a_100009813846_100000210303 [1,0,0,0,0,0|3,0,0]=4 1852 B12R0.5 CCCOCCCCCCCCCl 34a_100000033203_100000210303 [1,0,0,0,0,0|3,0,0]=4 1853 B12R0.5 CCCOCCCCCCCCCl 7a_100000033203_100000210303 [1,0,0,0,0,0|3,0,0]=4 1854 B12R0.5 CCCOCCCCCCCCN 34a_102515433106_100000210303 [1,0,0,0,0,0|3,0,0]=4 1855 B12R0.5 CCCOCCCCCCCCO 34a_100000210258_100000033203 [1,0,0,0,0,0|3,0,0]=4 1856 B12R0.5 CCCOCCCNCCOCC 2230a_100011217757_100011215890 [1,0,0,0,0,0|2,0,1]=4 1857 B12R0.5 CCCOCCCNCCOCC 34a_100011217757_100000210147 [1,0,0,0,0,0|2,0,1]=4 1858 B12R0.5 CCCOCCNCCCOCC 2230a_100000210961_100011215938 [1,0,0,0,0,0|2,0,1]=4 1859 B12R0.5 CCCOCCNCCCOCC 2230a_100161115042_100012232248 [1,0,0,0,0,0|2,0,1]=4 1860 B12R0.5 CCCOCCNCCCOCC 34a_100000210961_100011215938 [1,0,0,0,0,0|2,0,1]=4 1861 B12R0.5 CCCOCCNCCCOCC 34a_100161115042_100012232248 [1,0,0,0,0,0|2,0,1]=4 1862 B12R0.5 CCCOCCOCCCOCC 34a_100000752267_100012232248 [1,0,0,0,0,0|2,0,1]=4 1863 B12R0.5 CCCOCCOCCCOCC 34a_100000757476_100011215938 [1,0,0,0,0,0|2,0,1]=4 1864 B12R0.5 CCCOCCOCCCOCC 7a_100000752267_100012232248 [1,0,0,0,0,0|2,0,1]=4 1865 B12R0.5 CCCOCCOCCCOCC 7a_100000757476_100011215938 [1,0,0,0,0,0|2,0,1]=4 1866 B12R0.5 CCCOCCSCCCOCC 62a_100011215938_100012232248 [1,0,0,0,0,0|2,0,1]=4 1867 B12R0.5 CCCOCCSCCCOCC 62a_100012232248_100011215938 [1,0,0,0,0,0|2,0,1]=4 1868 B12R0.5 CCCSCCCCCCCCO 62a_100000033203_100000210303 [1,0,0,0,0,0|3,0,0]=4 1869 B12R0.5 CCCSCCCCCCCCO 62a_100000210303_100000033203 [1,0,0,0,0,0|3,0,0]=4 1870 B12R0.5 CCCSCCNCCCOCC 2230a_100020603323_100012232248 [1,0,0,0,0,0|2,0,1]=4 1871 B12R0.5 CCCSCCOCCCOCC 34a_200000230433_100012232248 [1,0,0,0,0,0|2,0,1]=4 1872 B12R0.5 CCCSCCOCCCOCC 7a_200000230433_100012232248 [1,0,0,0,0,0|2,0,1]=4 1873 B12R0.5 CCNCCCCCCCCCO 2230a_100000078944_100000210202 [1,0,0,0,0,0|2,0,1]=4 1874 B12R0.5 CCNCCCCCCCCCO 2230a_100015525214_100009813782 [1,0,0,0,0,0|2,0,1]=4 1875 B12R0.5 CCNCCCCCCCCCO 34a_100000078944_100000210202 [1,0,0,0,0,0|2,0,1]=4 1876 B12R0.5 CCOCCCCCCCCCBr 34a_100009813782_100000210202 [1,0,0,0,0,0|1,0,1]=3 1877 B12R0.5 CCOCCCCCCCCCBr 7a_100009813782_100000210202 [1,0,0,0,0,0|1,0,1]=3 1878 B12R0.5 CCOCCCCCCCCCCl 34a_100009868337_100000210202 [1,0,0,0,0,0|1,0,1]=3 1879 B12R0.5 CCOCCCCCCCCCCl 7a_100009868337_100000210202 [1,0,0,0,0,0|1,0,1]=3 1880 B12R0.5 CCOCCCCCCCCCN 34a_100000078944_100000210202 [1,0,0,0,0,0|1,0,1]=3 1881 B12R0.5 CCOCCCCCCCCCO 34a_100121572206_100009813782 [1,0,0,0,0,0|1,0,1]=3 1882 B12R0.5 CCOCCCNCCCCCF 2230a_100000210961_100000729378 [1,0,0,0,0,0|2,0,1]=4 1883 B12R0.5 CCOCCCNCCCCCF 34a_100000210961_100000729378 [1,0,0,0,0,0|2,0,1]=4 1884 B12R0.5 CCOCCCNCCCCCO 2230a_100000210961_100000746330 [1,0,0,0,0,0|2,0,1]=4 1885 B12R0.5 CCOCCCNCCCCCO 2230a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 1886 B12R0.5 CCOCCCNCCCCCO 34a_100000210961_100000746330 [1,0,0,0,0,0|2,0,1]=4 1887 B12R0.5 CCOCCCNCCCCCO 34a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 1888 B12R0.5 CCOCCCNCCCCOC 2230a_100000210961_100000730899 [1,0,0,0,0,0|2,0,1]=4 1889 B12R0.5 CCOCCCNCCCCOC 34a_100000210961_100000755781 [1,0,0,0,0,0|2,0,1]=4 1890 B12R0.5 CCOCCCNCCCOCC 2230a_100000210961_100012232248 [1,0,0,0,0,0|2,0,1]=4 1891 B12R0.5 CCOCCCNCCCOCC 34a_100000210961_100012232248 [1,0,0,0,0,0|2,0,1]=4 1892 B12R0.5 CCOCCCOCCCCCBr 34a_100000746331_100012232248 [1,0,0,0,0,0|2,0,1]=4 1893 B12R0.5 CCOCCCOCCCCCBr 7a_100000746331_100012232248 [1,0,0,0,0,0|2,0,1]=4 1894 B12R0.5 CCOCCCOCCCCCCl 34a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 1895 B12R0.5 CCOCCCOCCCCCCl 7a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 1896 B12R0.5 CCOCCCOCCCCCF 34a_100000757476_100000729378 [1,0,0,0,0,0|2,0,1]=4 1897 B12R0.5 CCOCCCOCCCCCF 7a_100000757476_100000729378 [1,0,0,0,0,0|2,0,1]=4 1898 B12R0.5 CCOCCCOCCCCCI 34a_200012148887_100012232248 [1,0,0,0,0,0|2,0,1]=4 1899 B12R0.5 CCOCCCOCCCCCI 7a_200012148887_100012232248 [1,0,0,0,0,0|2,0,1]=4 1900 B12R0.5 CCOCCCOCCCCCN 34a_100000762737_100012232248 [1,0,0,0,0,0|2,0,1]=4 1901 B12R0.5 CCOCCCOCCCCCO 34a_100000757476_100000746330 [1,0,0,0,0,0|2,0,1]=4 1902 B12R0.5 CCOCCCOCCCCCO 7a_100000757476_100000746330 [1,0,0,0,0,0|2,0,1]=4 1903 B12R0.5 CCOCCCOCCCCOC 34a_100000740925_100012232248 [1,0,0,0,0,0|2,0,1]=4 1904 B12R0.5 CCOCCCOCCCCOC 34a_100000757476_100000755781 [1,0,0,0,0,0|2,0,1]=4 1905 B12R0.5 CCOCCCOCCCCOC 7a_100000757476_100000730899 [1,0,0,0,0,0|2,0,1]=4 1906 B12R0.5 CCOCCCOCCCCSC 34a_100011217163_100012232248 [1,0,0,0,0,0|2,0,1]=4 1907 B12R0.5 CCOCCCOCCCCSC 7a_100011217163_100012232248 [1,0,0,0,0,0|2,0,1]=4 1908 B12R0.5 CCOCCCOCCCOCC 34a_100000757476_100012232248 [1,0,0,0,0,0|2,0,1]=4 1909 B12R0.5 CCOCCCOCCCOCC 7a_100000757476_100012232248 [1,0,0,0,0,0|2,0,1]=4 1910 B12R0.5 CCOCCCOCCCSCC 34a_100011216438_100012232248 [1,0,0,0,0,0|2,0,1]=4 1911 B12R0.5 CCOCCCOCCCSCC 7a_100011216438_100012232248 [1,0,0,0,0,0|2,0,1]=4 1912 B12R0.5 CCOCCCSCCCCCF 62a_100000729378_100012232248 [1,0,0,0,0,0|2,0,1]=4 1913 B12R0.5 CCOCCCSCCCCCF 62a_100012232248_100000729378 [1,0,0,0,0,0|2,0,1]=4 1914 B12R0.5 CCOCCCSCCCCCO 62a_100000746330_100012232248 [1,0,0,0,0,0|2,0,1]=4 1915 B12R0.5 CCOCCCSCCCCCO 62a_100012232248_100000746330 [1,0,0,0,0,0|2,0,1]=4 1916 B12R0.5 CCOCCCSCCCCOC 62a_100000730899_100012232248 [1,0,0,0,0,0|2,0,1]=4 1917 B12R0.5 CCOCCCSCCCCOC 62a_100012232248_100000730899 [1,0,0,0,0,0|2,0,1]=4 1918 B12R0.5 CCOCCCSCCCOCC 62a_100012232248_100012232248 [1,0,0,0,0,0|2,0,1]=4 1919 B12R0.5 CCOCCNCCCCCCF 2230a_102516460346_100015922095 [1,0,0,0,0,0|2,0,1]=4 1920 B12R0.5 CCOCCNCCCCCCF 34a_102516460346_100015922095 [1,0,0,0,0,0|2,0,1]=4 1921 B12R0.5 CCOCCNCCCCCCO 2230a_100000686447_100011215890 [1,0,0,0,0,0|2,0,1]=4 1922 B12R0.5 CCOCCNCCCCCCO 2230a_102516460346_100000766143 [1,0,0,0,0,0|2,0,1]=4 1923 B12R0.5 CCOCCNCCCCCCO 34a_100000686447_100000210147 [1,0,0,0,0,0|2,0,1]=4 1924 B12R0.5 CCOCCNCCCCCCO 34a_102516460346_100000766143 [1,0,0,0,0,0|2,0,1]=4 1925 B12R0.5 CCOCCNCCCCCOC 2230a_100000747528_100011215890 [1,0,0,0,0,0|2,0,1]=4 1926 B12R0.5 CCOCCNCCCCCOC 34a_100000747528_100000210147 [1,0,0,0,0,0|2,0,1]=4 1927 B12R0.5 CCOCCOCCCCCCBr 34a_100011215345_100000210147 [1,0,0,0,0,0|2,0,1]=4 1928 B12R0.5 CCOCCOCCCCCCBr 7a_100011215345_100011215890 [1,0,0,0,0,0|2,0,1]=4 1929 B12R0.5 CCOCCOCCCCCCCl 34a_100000766143_100000210147 [1,0,0,0,0,0|2,0,1]=4 1930 B12R0.5 CCOCCOCCCCCCCl 7a_100000766143_100011215890 [1,0,0,0,0,0|2,0,1]=4 1931 B12R0.5 CCOCCOCCCCCCF 34a_100000210136_100015922095 [1,0,0,0,0,0|2,0,1]=4 1932 B12R0.5 CCOCCOCCCCCCF 34a_100000732779_100000210147 [1,0,0,0,0,0|2,0,1]=4 1933 B12R0.5 CCOCCOCCCCCCF 7a_100000210136_100015922095 [1,0,0,0,0,0|2,0,1]=4 1934 B12R0.5 CCOCCOCCCCCCF 7a_100000732779_100011215890 [1,0,0,0,0,0|2,0,1]=4 1935 B12R0.5 CCOCCOCCCCCCN 34a_100000686447_100000210147 [1,0,0,0,0,0|2,0,1]=4 1936 B12R0.5 CCOCCOCCCCCCO 34a_100000210136_100000766143 [1,0,0,0,0,0|2,0,1]=4 1937 B12R0.5 CCOCCOCCCCCCO 7a_100000210136_100000766143 [1,0,0,0,0,0|2,0,1]=4 1938 B12R0.5 CCOCCOCCCCCNC 34a_100000722520_100000210147 [1,0,0,0,0,0|2,0,1]=4 1939 B12R0.5 CCOCCSCCCCCCF 62a_100000210147_100015922095 [1,0,0,0,0,0|2,0,1]=4 1940 B12R0.5 CCOCCSCCCCCCF 62a_100015922095_100011215890 [1,0,0,0,0,0|2,0,1]=4 1941 B12R0.5 CCOCCSCCCCCCO 62a_100000210147_100000766143 [1,0,0,0,0,0|2,0,1]=4 1942 B12R0.5 CCOCCSCCCCCCO 62a_100000766143_100011215890 [1,0,0,0,0,0|2,0,1]=4 1943 B12R0.5 CCOCSCCCCCCCO 62a_100000739092_100000760002 [1,0,0,0,0,0|2,0,1]=4 1944 B12R0.5 CCOCSCCCCCCCO 62a_100000760002_100000739092 [1,0,0,0,0,0|2,0,1]=4 1945 B12R0.5 CCOCSCCCCCCOC 62a_100000739092_100011998445 [1,0,0,0,0,0|2,0,1]=4 1946 B12R0.5 CCOCSCCCCCCOC 62a_100011998445_100000739092 [1,0,0,0,0,0|2,0,1]=4 1947 B12R0.5 CCSCCCCCCCCCO 62a_100000210202_100009813782 [1,0,0,0,0,0|1,1,1]=4 1948 B12R0.5 CCSCCCCCCCCCO 62a_100009813782_100000210202 [1,0,0,0,0,0|1,1,1]=4 1949 B12R0.5 FCOCCCCCCCCCBr 34a_100009813782_100015361967 [1,0,0,0,0,0|2,0,1]=4 1950 B12R0.5 FCOCCCCCCCCCBr 7a_100009813782_100015361967 [1,0,0,0,0,0|2,0,1]=4 1951 B12R0.5 FCOCCCCCCCCCCl 34a_100009868337_100015361967 [1,0,0,0,0,0|2,0,1]=4 1952 B12R0.5 FCOCCCCCCCCCCl 7a_100009868337_100015361967 [1,0,0,0,0,0|2,0,1]=4 1953 B12R0.5 NCCCCCCCCCOCF 34a_100000078944_100015361967 [1,0,0,0,0,0|2,0,1]=4 1954 B12R0.248 C#CC(=O)CCCCCCCCC 1458a_100000211873_100000210670 [1,0,0,0,0,0|0,0,2]=3 1955 B12R0.248 C#CC(=O)CCCCCCCCO 1458a_100000211873_100000033203 [1,0,0,0,0,0|1,0,2]=4 1956 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000087357_100000210202 [1,0,0,0,0,0|0,0,2]=3 1957 B12R0.248 C#CCCCCCCCC(=O)CC 1458a_100000210414_100153394163 [1,0,0,0,0,0|0,0,2]=3 1958 B12R0.248 C#CCCCCCCCC(=O)CF 1458a_100000087357_100015361967 [1,0,0,0,0,0|1,0,2]=4 1959 B12R0.248 C#CCCCCCCCC(=O)CO 1458a_100000210174_100153394163 [1,0,0,0,0,0|1,0,2]=4 1960 B12R0.248 C#CCCCCCCCC(=O)NC 11a_106832991635_100000087357 [1,0,0,0,0,0|1,0,2]=4 1961 B12R0.248 C#CCCCCCCCC(=O)NC 1626a_100102657272_100000087357 [1,0,0,0,0,0|1,0,2]=4 1962 B12R0.248 C#CCCCCCCCC(=O)NC 240690a_100102657272_100000087357 [1,0,0,0,0,0|1,0,2]=4 1963 B12R0.248 C#CCCCCCCCC(=O)NC 527a_100102657272_100000087357 [1,0,0,0,0,0|1,0,2]=4 1964 B12R0.248 C#CCCCCCOCC(=O)CC 34a_100000725409_100012094781 [1,0,0,0,0,0|1,0,2]=4 1965 B12R0.248 C#CCCCCCOCC(=O)CC 7a_100000766912_100000747405 [1,0,0,0,0,0|1,0,2]=4 1966 B12R0.248 C#CCCCCCOCC(=O)OC 34a_100000766912_100000747449 [1,0,0,0,0,0|1,0,2]=4 1967 B12R0.248 C#CCCCCCOCC(=O)OC 7a_100000766912_100000747449 [1,0,0,0,0,0|1,0,2]=4 1968 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100000747405_100012094781 [1,0,0,0,0,0|1,0,2]=4 1969 B12R0.248 C#CCCCCCSCC(=O)CC 62a_100012094781_100000747405 [1,0,0,0,0,0|1,0,2]=4 1970 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100000747449_100012094781 [1,0,0,0,0,0|1,0,2]=4 1971 B12R0.248 C#CCCCCCSCC(=O)OC 62a_100012094781_100000747449 [1,0,0,0,0,0|1,0,2]=4 1972 B12R0.248 C#CCCCCNCCC(=O)OC 2230a_100000706060_100000204255 [1,0,0,0,0,0|1,0,2]=4 1973 B12R0.248 C#CCCCCNCCC(=O)OC 34a_100000706060_100000742370 [1,0,0,0,0,0|1,0,2]=4 1974 B12R0.248 C#CCCCCOCCC(=O)OC 34a_100000766709_100000742370 [1,0,0,0,0,0|1,0,2]=4 1975 B12R0.248 C#CCCCCOCCC(=O)OC 7a_100000766709_100000204255 [1,0,0,0,0,0|1,0,2]=4 1976 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100000204255_100010269958 [1,0,0,0,0,0|1,0,2]=4 1977 B12R0.248 C#CCCCCSCCC(=O)OC 62a_100010269958_100000204255 [1,0,0,0,0,0|1,0,2]=4 1978 B12R0.248 C#CCCCNCCCC(=O)OC 34a_100000718082_100000742333 [1,0,0,0,0,0|1,0,2]=4 1979 B12R0.248 C#CCCCOCCCC(=O)OC 34a_100000215630_100000742333 [1,0,0,0,0,0|1,0,2]=4 1980 B12R0.248 C#CCCCOCCCC(=O)OC 7a_100000215630_100011218270 [1,0,0,0,0,0|1,0,2]=4 1981 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011215417_100011218270 [1,0,0,0,0,0|1,0,2]=4 1982 B12R0.248 C#CCCCSCCCC(=O)OC 62a_100011218270_100011215417 [1,0,0,0,0,0|1,0,2]=4 1983 B12R0.248 C#CCCNCCCCC(=O)OC 34a_100000755551_100000204269 [1,0,0,0,0,0|1,0,2]=4 1984 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100000059025_100000688953 [1,0,0,0,0,0|1,0,2]=4 1985 B12R0.248 C#CCCOCCCCC(=O)OC 34a_100011215631_100000204269 [1,0,0,0,0,0|1,0,2]=4 1986 B12R0.248 C#CCCOCCCCC(=O)OC 7a_100000059025_100000688953 [1,0,0,0,0,0|1,0,2]=4 1987 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000204269_100000688953 [1,0,0,0,0,0|1,0,2]=4 1988 B12R0.248 C#CCCSCCCCC(=O)OC 62a_100000688953_100000204269 [1,0,0,0,0,0|1,0,2]=4 1989 B12R0.248 C#CCNCCCCCC(=O)OC 34a_100000212058_100009816466 [1,0,0,0,0,0|1,0,2]=4 1990 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000074720_100000184674 [1,0,0,0,0,0|1,0,2]=4 1991 B12R0.248 C#CCOCCCCCC(=O)OC 34a_100000210247_100009816466 [1,0,0,0,0,0|1,0,2]=4 1992 B12R0.248 C#CCOCCCCCC(=O)OC 7a_100000074720_100000038162 [1,0,0,0,0,0|1,0,2]=4 1993 B12R0.248 C#CCSCCCCCC(=O)OC 62a_100000038162_100009816466 [1,0,0,0,0,0|1,0,2]=4 1994 B12R0.248 C/C=C/CCOCCCC(=O)OC 34a_100016278192_100000742333 [1,0,0,0,0,0|1,0,2]=4 1995 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100000059025_100102629194 [1,0,0,0,0,0|1,0,2]=4 1996 B12R0.248 C/C=C/COCCCCC(=O)OC 34a_100016270725_100000204269 [1,0,0,0,0,0|1,0,2]=4 1997 B12R0.248 C/C=C/COCCCCC(=O)OC 7a_100000059025_100102629194 [1,0,0,0,0,0|1,0,2]=4 1998 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100000204269_100102629194 [1,0,0,0,0,0|1,0,2]=4 1999 B12R0.248 C/C=C/CSCCCCC(=O)OC 62a_100102629194_100000204269 [1,0,0,0,0,0|1,0,2]=4 2000 B12R0.248 C=CC(=O)CCCCCCCCC 1458a_100000185746_100000210670 [1,0,0,0,0,0|0,0,2]=3 2001 B12R0.248 C=CC(=O)CCCCCCCCO 1458a_100000185746_100000033203 [1,0,0,0,0,0|1,0,2]=4 2002 B12R0.248 C=CC(=O)NCCCCCCCC 1626a_100000229939_100000185746 [1,0,0,0,0,0|1,0,2]=4 2003 B12R0.248 C=CC(=O)NCCCCCCCC 240690a_100000229939_200121576911 [1,0,0,0,0,0|1,0,2]=4 2004 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100000210414_100012355270 [1,0,0,0,0,0|0,0,2]=3 2005 B12R0.248 C=CCCCCCCCC(=O)CC 1458a_100011216160_100000210202 [1,0,0,0,0,0|0,0,2]=3 2006 B12R0.248 C=CCCCCCCCC(=O)CF 1458a_100011216160_100015361967 [1,0,0,0,0,0|1,0,2]=4 2007 B12R0.248 C=CCCCCCCCC(=O)CO 1458a_100000210174_100012355270 [1,0,0,0,0,0|1,0,2]=4 2008 B12R0.248 C=CCCCCCCCC(=O)NC 11a_106832991635_100011216160 [1,0,0,0,0,0|1,0,2]=4 2009 B12R0.248 C=CCCCCCCCC(=O)NC 1626a_100102657272_100011216160 [1,0,0,0,0,0|1,0,2]=4 2010 B12R0.248 C=CCCCCCCCC(=O)NC 240690a_100102657272_100011216160 [1,0,0,0,0,0|1,0,2]=4 2011 B12R0.248 C=CCCCCCCCC(=O)NC 527a_100102657272_100011216160 [1,0,0,0,0,0|1,0,2]=4 2012 B12R0.248 C=CCCCCCOCC(=O)CC 34a_100000725409_100000700193 [1,0,0,0,0,0|1,0,2]=4 2013 B12R0.248 C=CCCCCCOCC(=O)CC 7a_100011216702_100000747405 [1,0,0,0,0,0|1,0,2]=4 2014 B12R0.248 C=CCCCCCOCC(=O)OC 34a_100011216702_100000747449 [1,0,0,0,0,0|1,0,2]=4 2015 B12R0.248 C=CCCCCCOCC(=O)OC 7a_100011216702_100000747449 [1,0,0,0,0,0|1,0,2]=4 2016 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000700193_100000747405 [1,0,0,0,0,0|1,0,2]=4 2017 B12R0.248 C=CCCCCCSCC(=O)CC 62a_100000747405_100000700193 [1,0,0,0,0,0|1,0,2]=4 2018 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000700193_100000747449 [1,0,0,0,0,0|1,0,2]=4 2019 B12R0.248 C=CCCCCCSCC(=O)OC 62a_100000747449_100000700193 [1,0,0,0,0,0|1,0,2]=4 2020 B12R0.248 C=CCCCCNCCC(=O)OC 2230a_100000703577_100000204255 [1,0,0,0,0,0|1,0,2]=4 2021 B12R0.248 C=CCCCCNCCC(=O)OC 34a_100000703577_100000742370 [1,0,0,0,0,0|1,0,2]=4 2022 B12R0.248 C=CCCCCOCCC(=O)OC 34a_100000766645_100000742370 [1,0,0,0,0,0|1,0,2]=4 2023 B12R0.248 C=CCCCCOCCC(=O)OC 7a_100000766645_100000204255 [1,0,0,0,0,0|1,0,2]=4 2024 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100000204255_100011215482 [1,0,0,0,0,0|1,0,2]=4 2025 B12R0.248 C=CCCCCSCCC(=O)OC 62a_100011215482_100000204255 [1,0,0,0,0,0|1,0,2]=4 2026 B12R0.248 C=CCCCNCCCC(=O)OC 2230a_100000700776_100011218270 [1,0,0,0,0,0|1,0,2]=4 2027 B12R0.248 C=CCCCNCCCC(=O)OC 34a_100000700776_100000742333 [1,0,0,0,0,0|1,0,2]=4 2028 B12R0.248 C=CCCCOCCCC(=O)OC 34a_100000758997_100000742333 [1,0,0,0,0,0|1,0,2]=4 2029 B12R0.248 C=CCCCOCCCC(=O)OC 7a_100000758997_100011218270 [1,0,0,0,0,0|1,0,2]=4 2030 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011218270_100000757094 [1,0,0,0,0,0|1,0,2]=4 2031 B12R0.248 C=CCCCSCCCC(=O)OC 62a_100011713584_100011218270 [1,0,0,0,0,0|1,0,2]=4 2032 B12R0.248 C=CCCNCCCCC(=O)OC 2230a_100015191253_100000204269 [1,0,0,0,0,0|1,0,2]=4 2033 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100000059025_100000754431 [1,0,0,0,0,0|1,0,2]=4 2034 B12R0.248 C=CCCOCCCCC(=O)OC 34a_100011205117_100000204269 [1,0,0,0,0,0|1,0,2]=4 2035 B12R0.248 C=CCCOCCCCC(=O)OC 7a_100000059025_100000754431 [1,0,0,0,0,0|1,0,2]=4 2036 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000204269_100000754431 [1,0,0,0,0,0|1,0,2]=4 2037 B12R0.248 C=CCCSCCCCC(=O)OC 62a_100000754431_100000204269 [1,0,0,0,0,0|1,0,2]=4 2038 B12R0.248 C=CCNCCCCCC(=O)OC 2230a_100020586998_100009816466 [1,0,0,0,0,0|1,0,2]=4 2039 B12R0.248 C=CCOCCCCCC(=O)OC 34a_100000074720_100015514636 [1,0,0,0,0,0|1,0,2]=4 2040 B12R0.248 C=CCOCCCCCC(=O)OC 34a_200000210373_100009816466 [1,0,0,0,0,0|1,0,2]=4 2041 B12R0.248 C=CCOCCCCCC(=O)OC 7a_100000074720_100015514636 [1,0,0,0,0,0|1,0,2]=4 2042 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100000210623_100009816466 [1,0,0,0,0,0|1,0,2]=4 2043 B12R0.248 C=CCSCCCCCC(=O)OC 62a_100009816466_100000210623 [1,0,0,0,0,0|1,0,2]=4 2044 B12R0.248 CC#CCCOCCCC(=O)OC 34a_100000750427_100000742333 [1,0,0,0,0,0|1,0,2]=4 2045 B12R0.248 CC#CCNCCCCC(=O)OC 2230a_100000685387_100000204269 [1,0,0,0,0,0|1,0,2]=4 2046 B12R0.248 CC#CCNCCCCC(=O)OC 34a_100000685387_100000204269 [1,0,0,0,0,0|1,0,2]=4 2047 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000059025_100000748600 [1,0,0,0,0,0|1,0,2]=4 2048 B12R0.248 CC#CCOCCCCC(=O)OC 34a_100000761923_100000204269 [1,0,0,0,0,0|1,0,2]=4 2049 B12R0.248 CC#CCOCCCCC(=O)OC 7a_100000059025_100000748600 [1,0,0,0,0,0|1,0,2]=4 2050 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000204269_100000748600 [1,0,0,0,0,0|1,0,2]=4 2051 B12R0.248 CC#CCSCCCCC(=O)OC 62a_100000748600_100000204269 [1,0,0,0,0,0|1,0,2]=4 2052 B12R0.248 CC/C=C/CCCOCC(=O)CC 7a_100016287902_100000747405 [1,0,0,0,0,0|1,0,2]=4 2053 B12R0.248 CC/C=C/CCCOCC(=O)OC 34a_100016287902_100000747449 [1,0,0,0,0,0|1,0,2]=4 2054 B12R0.248 CC/C=C/CCCOCC(=O)OC 7a_100016287902_100000747449 [1,0,0,0,0,0|1,0,2]=4 2055 B12R0.248 CC/C=C\CCOCCC(=O)OC 34a_100016288707_100000742370 [1,0,0,0,0,0|1,0,2]=4 2056 B12R0.248 CC/C=C\CCOCCC(=O)OC 7a_100016288707_100000204255 [1,0,0,0,0,0|1,0,2]=4 2057 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100000204255_100015370543 [1,0,0,0,0,0|1,0,2]=4 2058 B12R0.248 CC/C=C\CCSCCC(=O)OC 62a_100015370543_100000204255 [1,0,0,0,0,0|1,0,2]=4 2059 B12R0.248 CC/C=C\COCCCC(=O)OC 34a_100016268518_100000742333 [1,0,0,0,0,0|1,0,2]=4 2060 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100011218270_100103147603 [1,0,0,0,0,0|1,0,2]=4 2061 B12R0.248 CC/C=C\CSCCCC(=O)OC 62a_100103147603_100011218270 [1,0,0,0,0,0|1,0,2]=4 2062 B12R0.248 CC=CCCCOCCC(=O)OC 34a_100020645299_100000742370 [1,0,0,0,0,0|1,0,2]=4 2063 B12R0.248 CC=CCOCCCCC(=O)OC 34a_100000059025_100000070051 [1,0,0,0,0,0|1,0,2]=4 2064 B12R0.248 CC=CCOCCCCC(=O)OC 7a_100000059025_100000070051 [1,0,0,0,0,0|1,0,2]=4 2065 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000070051_100000204269 [1,0,0,0,0,0|1,0,2]=4 2066 B12R0.248 CC=CCSCCCCC(=O)OC 62a_100000204269_100000070051 [1,0,0,0,0,0|1,0,2]=4 2067 B12R0.248 CCC#CCCOCCC(=O)OC 34a_100000036655_100000742370 [1,0,0,0,0,0|1,0,2]=4 2068 B12R0.248 CCC#CCCOCCC(=O)OC 7a_100000036655_100000204255 [1,0,0,0,0,0|1,0,2]=4 2069 B12R0.248 CCC#CCOCCCC(=O)OC 34a_100000032950_100000742333 [1,0,0,0,0,0|1,0,2]=4 2070 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100009813939_100011218270 [1,0,0,0,0,0|1,0,2]=4 2071 B12R0.248 CCC#CCSCCCC(=O)OC 62a_100011218270_100009813939 [1,0,0,0,0,0|1,0,2]=4 2072 B12R0.248 CCC(=O)CCCCCCCCO 1458a_100000210414_100000033203 [1,0,0,0,0,0|1,0,0]=2 2073 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100000210414_100000032323 [1,0,0,0,0,0|3,0,0]=4 2074 B12R0.248 CCC(=O)CCOCCOCCO 1458a_100009915118_100000210202 [1,0,0,0,0,0|3,0,0]=4 2075 B12R0.248 CCC(=O)COCCCCCCBr 7a_100011215345_100000747405 [1,0,0,0,0,0|2,0,0]=3 2076 B12R0.248 CCC(=O)COCCCCCCCl 7a_100000766143_100000747405 [1,0,0,0,0,0|2,0,0]=3 2077 B12R0.248 CCC(=O)COCCCCCCF 34a_100000725409_100015922095 [1,0,0,0,0,0|2,0,0]=3 2078 B12R0.248 CCC(=O)COCCCCCCF 7a_100000732779_100000747405 [1,0,0,0,0,0|2,0,0]=3 2079 B12R0.248 CCC(=O)COCCCCCCO 34a_100000725409_100000766143 [1,0,0,0,0,0|2,0,0]=3 2080 B12R0.248 CCC(=O)COCCOCCOC 1458a_100011214951_100000210202 [1,0,0,0,0,0|3,0,0]=4 2081 B12R0.248 CCC(=O)COCCOCCOC 34a_100000725409_100000695917 [1,0,0,0,0,0|3,0,0]=4 2082 B12R0.248 CCC(=O)COCCOCCOC 7a_100011215163_100000747405 [1,0,0,0,0,0|3,0,0]=4 2083 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100000747405_100009813376 [1,0,0,0,0,0|2,0,1]=4 2084 B12R0.248 CCC(=O)CSCCCCCC#N 62a_100009813376_100000747405 [1,0,0,0,0,0|2,0,1]=4 2085 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000139337_100000747405 [1,0,0,0,0,0|2,0,1]=4 2086 B12R0.248 CCC(=O)CSCCCCCC=O 62a_100000747405_100000139337 [1,0,0,0,0,0|2,0,1]=4 2087 B12R0.248 CCC(=O)CSCCCCCCF 62a_100000747405_100015922095 [1,0,0,0,0,0|2,0,0]=3 2088 B12R0.248 CCC(=O)CSCCCCCCF 62a_100015922095_100000747405 [1,0,0,0,0,0|2,0,0]=3 2089 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000747405_100000766143 [1,0,0,0,0,0|2,0,0]=3 2090 B12R0.248 CCC(=O)CSCCCCCCO 62a_100000766143_100000747405 [1,0,0,0,0,0|2,0,0]=3 2091 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000695917_100000747405 [1,0,0,0,0,0|3,0,0]=4 2092 B12R0.248 CCC(=O)CSCCOCCOC 62a_100000747405_100000695917 [1,0,0,0,0,0|3,0,0]=4 2093 B12R0.248 CCC(=O)NCCCCCCCO 240690a_100011996573_100000210414 [1,0,0,0,0,0|2,0,0]=3 2094 B12R0.248 CCC(=O)NCCCOCCCO 240690a_100011310245_100000210414 [1,0,0,0,0,0|3,0,0]=4 2095 B12R0.248 CCC(=O)NCCCOCCOC 1626a_100000206027_100000210414 [1,0,0,0,0,0|3,0,0]=4 2096 B12R0.248 CCC(=O)NCCCOCCOC 240690a_100000206027_100000210414 [1,0,0,0,0,0|3,0,0]=4 2097 B12R0.248 CCC(=O)NCCNCCCCF 34a_100132302217_100000729493 [1,0,0,0,0,0|3,0,0]=4 2098 B12R0.248 CCC(=O)NCCNCCCCO 34a_100132302217_100011216708 [1,0,0,0,0,0|3,0,0]=4 2099 B12R0.248 CCC(=O)NCCNCCCOC 34a_100132302217_100000740836 [1,0,0,0,0,0|3,0,0]=4 2100 B12R0.248 CCC(=O)NCCOCCCCF 34a_200000158885_100000729493 [1,0,0,0,0,0|3,0,0]=4 2101 B12R0.248 CCC(=O)NCCOCCCCF 7a_200000158885_100000729493 [1,0,0,0,0,0|3,0,0]=4 2102 B12R0.248 CCC(=O)NCCOCCCCO 34a_200000158885_100011216708 [1,0,0,0,0,0|3,0,0]=4 2103 B12R0.248 CCC(=O)NCCOCCCCO 7a_200000158885_100000210776 [1,0,0,0,0,0|3,0,0]=4 2104 B12R0.248 CCC(=O)NCCOCCCOC 34a_200000158885_100000740836 [1,0,0,0,0,0|3,0,0]=4 2105 B12R0.248 CCC(=O)NCCOCCCOC 7a_200000158885_100000740836 [1,0,0,0,0,0|3,0,0]=4 2106 B12R0.248 CCC(=O)OCCOCCCCF 7a_200000031056_100000729493 [1,0,0,0,0,0|3,0,0]=4 2107 B12R0.248 CCC(=O)OCCOCCCCO 7a_200000031056_100000210776 [1,0,0,0,0,0|3,0,0]=4 2108 B12R0.248 CCC(=O)OCCOCCCOC 7a_200000031056_100000740836 [1,0,0,0,0,0|3,0,0]=4 2109 B12R0.248 CCC/C=C/COCCC(=O)OC 34a_100016278788_100000742370 [1,0,0,0,0,0|1,0,2]=4 2110 B12R0.248 CCC/C=C/COCCC(=O)OC 7a_100016278788_100000204255 [1,0,0,0,0,0|1,0,2]=4 2111 B12R0.248 CCCC#CCCOCC(=O)CC 7a_100000042726_100000747405 [1,0,0,0,0,0|1,0,2]=4 2112 B12R0.248 CCCC#CCCOCC(=O)OC 34a_100000042726_100000747449 [1,0,0,0,0,0|1,0,2]=4 2113 B12R0.248 CCCC#CCCOCC(=O)OC 7a_100000042726_100000747449 [1,0,0,0,0,0|1,0,2]=4 2114 B12R0.248 CCCC#CCOCCC(=O)OC 34a_100000034806_100000742370 [1,0,0,0,0,0|1,0,2]=4 2115 B12R0.248 CCCC#CCOCCC(=O)OC 7a_100000034806_100000204255 [1,0,0,0,0,0|1,0,2]=4 2116 B12R0.248 CCCC/C=C/COCC(=O)CC 7a_200016272032_100000747405 [1,0,0,0,0,0|1,0,2]=4 2117 B12R0.248 CCCC/C=C/COCC(=O)OC 34a_200016272032_100000747449 [1,0,0,0,0,0|1,0,2]=4 2118 B12R0.248 CCCC/C=C/COCC(=O)OC 7a_200016272032_100000747449 [1,0,0,0,0,0|1,0,2]=4 2119 B12R0.248 CCCCC#CCCCC(=O)CC 1458a_100000210414_200000047210 [1,0,0,0,0,0|0,0,2]=3 2120 B12R0.248 CCCCC#CCCCC(=O)CO 1458a_100000210174_200000047210 [1,0,0,0,0,0|1,0,2]=4 2121 B12R0.248 CCCCC#CCOCC(=O)CC 7a_200000034558_100000747405 [1,0,0,0,0,0|1,0,2]=4 2122 B12R0.248 CCCCC#CCOCC(=O)OC 34a_200000034558_100000747449 [1,0,0,0,0,0|1,0,2]=4 2123 B12R0.248 CCCCC#CCOCC(=O)OC 7a_200000034558_100000747449 [1,0,0,0,0,0|1,0,2]=4 2124 B12R0.248 CCCCC/C=C/CCC(=O)CC 1458a_200015255902_100000210202 [1,0,0,0,0,0|0,0,2]=3 2125 B12R0.248 CCCCC/C=C/CCC(=O)CF 1458a_200015255902_100015361967 [1,0,0,0,0,0|1,0,2]=4 2126 B12R0.248 CCCCC/C=C/CCC(=O)NC 11a_106832991635_200015255902 [1,0,0,0,0,0|1,0,2]=4 2127 B12R0.248 CCCCC/C=C/CCC(=O)NC 1626a_100102657272_200015255902 [1,0,0,0,0,0|1,0,2]=4 2128 B12R0.248 CCCCC/C=C/CCC(=O)NC 240690a_100102657272_200015255902 [1,0,0,0,0,0|1,0,2]=4 2129 B12R0.248 CCCCC/C=C/CCC(=O)NC 527a_100102657272_200015255902 [1,0,0,0,0,0|1,0,2]=4 2130 B12R0.248 CCCCCC/C=C/CC(=O)CC 1458a_100020681715_100000210202 [1,0,0,0,0,0|0,0,2]=3 2131 B12R0.248 CCCCCC/C=C/CC(=O)CF 1458a_100020681715_100015361967 [1,0,0,0,0,0|1,0,2]=4 2132 B12R0.248 CCCCCC/C=C/CC(=O)NC 11a_106832991635_100020681715 [1,0,0,0,0,0|1,0,2]=4 2133 B12R0.248 CCCCCC/C=C/CC(=O)NC 1626a_100102657272_100020681715 [1,0,0,0,0,0|1,0,2]=4 2134 B12R0.248 CCCCCC/C=C/CC(=O)NC 240690a_100102657272_100020681715 [1,0,0,0,0,0|1,0,2]=4 2135 B12R0.248 CCCCCCC=NNC(=O)CC 4a_100000183195_100000234349 [1,0,0,0,0,0|2,0,1]=4 2136 B12R0.248 CCCCCCCC=CC(=O)CC 1458a_200015332781_100000210202 [1,0,0,0,0,0|0,0,2]=3 2137 B12R0.248 CCCCCCCC=CC(=O)CF 1458a_200015332781_100015361967 [1,0,0,0,0,0|1,0,2]=4 2138 B12R0.248 CCCCCCCC=CC(=O)NC 11a_106832991635_200015332781 [1,0,0,0,0,0|1,0,2]=4 2139 B12R0.248 CCCCCCCC=CC(=O)NC 1626a_100102657272_200015332781 [1,0,0,0,0,0|1,0,2]=4 2140 B12R0.248 CCCCCCCC=CC(=O)NC 240690a_100102657272_200015332781 [1,0,0,0,0,0|1,0,2]=4 2141 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210414_100000210670 [1,0,0,0,0,0|0,0,0]=1 2142 B12R0.248 CCCCCCCCCC(=O)CC 1458a_100000210558_100000210202 [1,0,0,0,0,0|0,0,0]=1 2143 B12R0.248 CCCCCCCCCC(=O)CF 1458a_100000210558_100015361967 [1,0,0,0,0,0|1,0,0]=2 2144 B12R0.248 CCCCCCCCCC(=O)CO 1458a_100000210174_100000210670 [1,0,0,0,0,0|1,0,0]=2 2145 B12R0.248 CCCCCCCCCC(=O)NC 11a_106832991635_100000210558 [1,0,0,0,0,0|1,0,0]=2 2146 B12R0.248 CCCCCCCCCC(=O)NC 1626a_100102657272_100000210558 [1,0,0,0,0,0|1,0,0]=2 2147 B12R0.248 CCCCCCCCCC(=O)NC 240690a_100102657272_100000210558 [1,0,0,0,0,0|1,0,0]=2 2148 B12R0.248 CCCCCCCCCC(=O)NC 527a_100102657272_100000210558 [1,0,0,0,0,0|1,0,0]=2 2149 B12R0.248 CCCCCCCCCC(C)NC 270004a_106832991635_100011215753 [1,0,0,0,0,0|2,0,1]=4 2150 B12R0.248 CCCCCCCCCC(C)OC 34a_100011218016_200000210301 [1,0,0,0,0,0|1,0,1]=3 2151 B12R0.248 CCCCCCCCCC(C)OC 7a_100011218016_200000210301 [1,0,0,0,0,0|1,0,1]=3 2152 B12R0.248 CCCCCCCCCC(C)O[13CH3] 34a_100011218016_200025704644 [1,0,0,0,0,0|1,0,1]=3 2153 B12R0.248 CCCCCCCCCC(C)O[13CH3] 7a_100011218016_200025704644 [1,0,0,0,0,0|1,0,1]=3 2154 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000225621_100011214924 [1,0,0,0,0,0|2,0,0]=3 2155 B12R0.248 CCCCCCCCCN(C)CC 2230a_100000232482_100000210202 [1,0,0,0,0,0|2,0,0]=3 2156 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000225621_100000210670 [1,0,0,0,0,0|2,0,0]=3 2157 B12R0.248 CCCCCCCCCN(C)CC 269982a_100000232482_100000204670 [1,0,0,0,0,0|2,0,0]=3 2158 B12R0.248 CCCCCCCCCN(C)CF 269982a_100000232482_100015361967 [1,0,0,0,0,0|3,0,0]=4 2159 B12R0.248 CCCCCCCCNC(=O)CC 11a_100000229939_100000210414 [1,0,0,0,0,0|1,0,0]=2 2160 B12R0.248 CCCCCCCCNC(=O)CC 1626a_100000229939_100000210414 [1,0,0,0,0,0|1,0,0]=2 2161 B12R0.248 CCCCCCCCNC(=O)CC 240690a_100000229939_100000210414 [1,0,0,0,0,0|1,0,0]=2 2162 B12R0.248 CCCCCCCCNC(=O)CC 527a_100000229939_100000210414 [1,0,0,0,0,0|1,0,0]=2 2163 B12R0.248 CCCCCCCCNC(=O)CO 240690a_100000229939_100000210174 [1,0,0,0,0,0|2,0,0]=3 2164 B12R0.248 CCCCCCCCNC(=O)CO 527a_100000229939_100000210174 [1,0,0,0,0,0|2,0,0]=3 2165 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100000229939_106832991635 [1,0,0,0,0,0|2,0,0]=3 2166 B12R0.248 CCCCCCCCNC(=O)NC 2708a_100102657272_100000229939 [1,0,0,0,0,0|2,0,0]=3 2167 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100000229939_100102657272 [1,0,0,0,0,0|2,0,0]=3 2168 B12R0.248 CCCCCCCCNC(=O)NC 273464a_100102657272_100000229939 [1,0,0,0,0,0|2,0,0]=3 2169 B12R0.248 CCCCCCCCNC(=O)NC 512a_100000229939_100102657272 [1,0,0,0,0,0|2,0,0]=3 2170 B12R0.248 CCCCCCCCNC(=O)NC 512a_106832991638_100000229939 [1,0,0,0,0,0|2,0,0]=3 2171 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000209981_100000210759 [1,0,0,0,0,0|2,0,1]=4 2172 B12R0.248 CCCCCCCCNC(C)CC 2230a_100000229939_100000758301 [1,0,0,0,0,0|2,0,1]=4 2173 B12R0.248 CCCCCCCCNC(C)CC 34a_100000229939_100011215416 [1,0,0,0,0,0|2,0,1]=4 2174 B12R0.248 CCCCCCCCOC(C)CC 34a_100000210232_100011215416 [1,0,0,0,0,0|2,0,1]=4 2175 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210228_100000210759 [1,0,0,0,0,0|2,0,1]=4 2176 B12R0.248 CCCCCCCCOC(C)CC 7a_100000210232_100000758301 [1,0,0,0,0,0|2,0,1]=4 2177 B12R0.248 CCCCCCCCSC(C)CC 62a_100000210759_100000758301 [1,0,0,0,0,0|2,0,1]=4 2178 B12R0.248 CCCCCCCCSC(C)CC 62a_100000758301_100000210317 [1,0,0,0,0,0|2,0,1]=4 2179 B12R0.248 CCCCCCCCSC(C)OC 62a_100000210759_100009879195 [1,0,0,0,0,0|2,0,1]=4 2180 B12R0.248 CCCCCCCCSC(C)OC 62a_100009879195_100000210317 [1,0,0,0,0,0|2,0,1]=4 2181 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000229938_100000183359 [1,0,0,0,0,0|2,0,0]=3 2182 B12R0.248 CCCCCCCNCC(=O)NC 2230a_100000693194_100000210681 [1,0,0,0,0,0|2,0,0]=3 2183 B12R0.248 CCCCCCCNCC(=O)OC 2230a_100000229938_100000747449 [1,0,0,0,0,0|1,0,0]=2 2184 B12R0.248 CCCCCCCNCC(C)CC 2230a_100000229938_100000748023 [1,0,0,0,0,0|2,0,1]=4 2185 B12R0.248 CCCCCCCNCC(C)CC 2230a_100020588543_100000210681 [1,0,0,0,0,0|2,0,1]=4 2186 B12R0.248 CCCCCCCNCC(C)CC 270004a_100000229938_100000243153 [1,0,0,0,0,0|2,0,1]=4 2187 B12R0.248 CCCCCCCNCC(O)CC 2230a_100000229938_100011218378 [1,0,0,0,0,0|1,0,2]=4 2188 B12R0.248 CCCCCCCNCC(O)CC 2230a_100011218483_100000210681 [1,0,0,0,0,0|1,0,2]=4 2189 B12R0.248 CCCCCCCNC[C@@H](C)CC 2230a_100000229938_100009816398 [1,0,0,0,0,0|2,0,1]=4 2190 B12R0.248 CCCCCCCNC[C@@H](C)OC 2230a_100020591295_100000210681 [1,0,0,0,0,0|2,0,1]=4 2191 B12R0.248 CCCCCCCOCC(=O)CC 34a_100000725409_100000210614 [1,0,0,0,0,0|1,0,0]=2 2192 B12R0.248 CCCCCCCOCC(=O)CC 7a_100000210272_100000747405 [1,0,0,0,0,0|1,0,0]=2 2193 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000210272_100000183359 [1,0,0,0,0,0|2,0,0]=3 2194 B12R0.248 CCCCCCCOCC(=O)NC 34a_100000750040_100000210614 [1,0,0,0,0,0|2,0,0]=3 2195 B12R0.248 CCCCCCCOCC(=O)NC 7a_100000210272_100000183359 [1,0,0,0,0,0|2,0,0]=3 2196 B12R0.248 CCCCCCCOCC(=O)OC 34a_100000210272_100000747449 [1,0,0,0,0,0|1,0,0]=2 2197 B12R0.248 CCCCCCCOCC(=O)OC 7a_100000210272_100000747449 [1,0,0,0,0,0|1,0,0]=2 2198 B12R0.248 CCCCCCCOCC(C)CC 34a_100000210272_100000748023 [1,0,0,0,0,0|2,0,1]=4 2199 B12R0.248 CCCCCCCOCC(C)CC 7a_100000210272_100000748023 [1,0,0,0,0,0|2,0,1]=4 2200 B12R0.248 CCCCCCCOCC(C)OC 34a_100000690652_100000210614 [1,0,0,0,0,0|2,0,1]=4 2201 B12R0.248 CCCCCCCOCC(O)CC 34a_100000210272_100011218378 [1,0,0,0,0,0|1,0,2]=4 2202 B12R0.248 CCCCCCCOCC(O)CC 7a_100000210272_100011218378 [1,0,0,0,0,0|1,0,2]=4 2203 B12R0.248 CCCCCCCOC[C@@H](C)CC 34a_100000210272_100009816398 [1,0,0,0,0,0|2,0,1]=4 2204 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100000210272_100009816398 [1,0,0,0,0,0|2,0,1]=4 2205 B12R0.248 CCCCCCCOC[C@@H](C)CC 7a_100009816381_100000210614 [1,0,0,0,0,0|2,0,1]=4 2206 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000210614_100000747405 [1,0,0,0,0,0|1,0,0]=2 2207 B12R0.248 CCCCCCCSCC(=O)CC 62a_100000747405_100000210316 [1,0,0,0,0,0|1,0,0]=2 2208 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000183359_100000210316 [1,0,0,0,0,0|2,0,0]=3 2209 B12R0.248 CCCCCCCSCC(=O)NC 62a_100000210614_100000183359 [1,0,0,0,0,0|2,0,0]=3 2210 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000210614_100000747449 [1,0,0,0,0,0|1,0,0]=2 2211 B12R0.248 CCCCCCCSCC(=O)OC 62a_100000747449_100000210316 [1,0,0,0,0,0|1,0,0]=2 2212 B12R0.248 CCCCCCCSCC(C)CC 62a_100000210614_100000748023 [1,0,0,0,0,0|2,0,1]=4 2213 B12R0.248 CCCCCCCSCC(C)CC 62a_100000748023_100000210316 [1,0,0,0,0,0|2,0,1]=4 2214 B12R0.248 CCCCCCCSCC(O)CC 62a_100000210614_100011218378 [1,0,0,0,0,0|1,0,2]=4 2215 B12R0.248 CCCCCCCSCC(O)CC 62a_100011218378_100000210316 [1,0,0,0,0,0|1,0,2]=4 2216 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100000210614_100009816398 [1,0,0,0,0,0|2,0,1]=4 2217 B12R0.248 CCCCCCCSC[C@@H](C)CC 62a_100009816398_100000210316 [1,0,0,0,0,0|2,0,1]=4 2218 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000210581_100000737683 [1,0,0,0,0,0|2,0,0]=3 2219 B12R0.248 CCCCCCNCCC(=O)NC 2230a_100000738227_100000210314 [1,0,0,0,0,0|2,0,0]=3 2220 B12R0.248 CCCCCCNCCC(=O)NC 34a_100000738227_100000210314 [1,0,0,0,0,0|2,0,0]=3 2221 B12R0.248 CCCCCCNCCC(=O)OC 2230a_100000210581_100000204255 [1,0,0,0,0,0|1,0,0]=2 2222 B12R0.248 CCCCCCNCCC(C)CC 2230a_100020591266_100000210314 [1,0,0,0,0,0|2,0,1]=4 2223 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000210259_100012179268 [1,0,0,0,0,0|2,0,0]=3 2224 B12R0.248 CCCCCCOCCC(=O)NC 34a_100000754576_100000210314 [1,0,0,0,0,0|2,0,0]=3 2225 B12R0.248 CCCCCCOCCC(=O)NC 7a_100000210259_100000737683 [1,0,0,0,0,0|2,0,0]=3 2226 B12R0.248 CCCCCCOCCC(=O)OC 34a_100000210259_100000742370 [1,0,0,0,0,0|1,0,0]=2 2227 B12R0.248 CCCCCCOCCC(=O)OC 7a_100000210259_100000204255 [1,0,0,0,0,0|1,0,0]=2 2228 B12R0.248 CCCCCCOCCC(C)CC 7a_100011215188_100000210314 [1,0,0,0,0,0|2,0,1]=4 2229 B12R0.248 CCCCCCOCCC(C)OC 7a_100000764861_100000210314 [1,0,0,0,0,0|2,0,1]=4 2230 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000210314_100000737683 [1,0,0,0,0,0|2,0,0]=3 2231 B12R0.248 CCCCCCSCCC(=O)NC 62a_100000737683_100000210757 [1,0,0,0,0,0|2,0,0]=3 2232 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000204255_100000210757 [1,0,0,0,0,0|1,0,0]=2 2233 B12R0.248 CCCCCCSCCC(=O)OC 62a_100000210314_100000204255 [1,0,0,0,0,0|1,0,0]=2 2234 B12R0.248 CCCCCCSCOC(=O)OC 62a_100000210314_100000139417 [1,0,0,0,0,0|2,0,0]=3 2235 B12R0.248 CCCCCNC/C=C/C(=O)OC 2230a_100000209983_100000742655 [1,0,0,0,0,0|1,0,2]=4 2236 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000209983_100000741757 [1,0,0,0,0,0|2,0,0]=3 2237 B12R0.248 CCCCCNCCCC(=O)NC 2230a_100000740002_100000210326 [1,0,0,0,0,0|2,0,0]=3 2238 B12R0.248 CCCCCNCCCC(=O)NC 34a_100000740002_100000718602 [1,0,0,0,0,0|2,0,0]=3 2239 B12R0.248 CCCCCNCCCC(=O)OC 2230a_100000209983_100011218270 [1,0,0,0,0,0|1,0,0]=2 2240 B12R0.248 CCCCCNCCCN(C)CC 2230a_100000209983_100015186262 [1,0,0,0,0,0|3,0,0]=4 2241 B12R0.248 CCCCCNCCNC(=O)CC 34a_100132302217_100000718602 [1,0,0,0,0,0|2,0,0]=3 2242 B12R0.248 CCCCCNCCNC(=O)NC 34a_100015205895_100000718602 [1,0,0,0,0,0|3,0,0]=4 2243 B12R0.248 CCCCCNN=CCC(=O)OC 4a_100000694160_200011552997 [1,0,0,0,0,0|2,0,1]=4 2244 B12R0.248 CCCCCOC/C=C/C(=O)OC 34a_100000210253_100000742655 [1,0,0,0,0,0|1,0,2]=4 2245 B12R0.248 CCCCCOC/C=C/C(=O)OC 7a_100000210253_100000742655 [1,0,0,0,0,0|1,0,2]=4 2246 B12R0.248 CCCCCOCCCC(=O)NC 34a_100000210253_100000741757 [1,0,0,0,0,0|2,0,0]=3 2247 B12R0.248 CCCCCOCCCC(=O)NC 7a_100000210253_100000741757 [1,0,0,0,0,0|2,0,0]=3 2248 B12R0.248 CCCCCOCCCC(=O)NN 34a_100000211488_100000718602 [1,0,0,0,0,0|3,0,0]=4 2249 B12R0.248 CCCCCOCCCC(=O)OC 34a_100000210253_100000742333 [1,0,0,0,0,0|1,0,0]=2 2250 B12R0.248 CCCCCOCCCC(=O)OC 7a_100000210253_100011218270 [1,0,0,0,0,0|1,0,0]=2 2251 B12R0.248 CCCCCOCCCC(C)CC 7a_100011216074_100000210326 [1,0,0,0,0,0|2,0,1]=4 2252 B12R0.248 CCCCCOCCCN(C)CC 7a_100000210253_100015186262 [1,0,0,0,0,0|3,0,0]=4 2253 B12R0.248 CCCCCOCCNC(=O)CC 34a_200000158885_100000718602 [1,0,0,0,0,0|2,0,0]=3 2254 B12R0.248 CCCCCOCCNC(=O)CC 7a_200000158885_100000210326 [1,0,0,0,0,0|2,0,0]=3 2255 B12R0.248 CCCCCOCCNC(=O)OC 34a_100000757965_100000718602 [1,0,0,0,0,0|2,0,0]=3 2256 B12R0.248 CCCCCOCCOC(=O)CC 7a_200000031056_100000210326 [1,0,0,0,0,0|2,0,0]=3 2257 B12R0.248 CCCCCOCCOC(=O)NC 34a_100000210253_200011997002 [1,0,0,0,0,0|3,0,0]=4 2258 B12R0.248 CCCCCOCCOC(=O)NC 7a_100000210253_200011997002 [1,0,0,0,0,0|3,0,0]=4 2259 B12R0.248 CCCCCOCCOC(=O)OC 34a_100010262106_100000718602 [1,0,0,0,0,0|2,0,0]=3 2260 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000210326_100000742655 [1,0,0,0,0,0|1,0,2]=4 2261 B12R0.248 CCCCCSC/C=C/C(=O)OC 62a_100000742655_100000210326 [1,0,0,0,0,0|1,0,2]=4 2262 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000210326_100000741757 [1,0,0,0,0,0|2,0,0]=3 2263 B12R0.248 CCCCCSCCCC(=O)NC 62a_100000741757_100000210326 [1,0,0,0,0,0|2,0,0]=3 2264 B12R0.248 CCCCCSCCCC(=O)OC 62a_100000210326_100011218270 [1,0,0,0,0,0|1,0,0]=2 2265 B12R0.248 CCCCCSCCCC(=O)OC 62a_100011218270_100000210326 [1,0,0,0,0,0|1,0,0]=2 2266 B12R0.248 CCCCCSCCCN(C)CC 62a_100000210326_100015186262 [1,0,0,0,0,0|3,0,0]=4 2267 B12R0.248 CCCCCSCCOC(=O)NC 62a_100000210326_200011997002 [1,0,0,0,0,0|3,0,0]=4 2268 B12R0.248 CCCCCSCCOC(=O)NC 62a_200011997002_100000210326 [1,0,0,0,0,0|3,0,0]=4 2269 B12R0.248 CCCCNCCCCC(=O)OC 2230a_100000102301_100000204269 [1,0,0,0,0,0|1,0,0]=2 2270 B12R0.248 CCCCNCCCCC(=O)OC 7a_106832991798_100000204269 [1,0,0,0,0,0|1,0,0]=2 2271 B12R0.248 CCCCNCCOCC(=O)OC 2230a_100000102301_100000090808 [1,0,0,0,0,0|2,0,0]=3 2272 B12R0.248 CCCCNCCOCC(=O)OC 7a_106832991798_100000090808 [1,0,0,0,0,0|2,0,0]=3 2273 B12R0.248 CCCCNN=CCCC(=O)OC 4a_100025702795_100012047195 [1,0,0,0,0,0|2,0,1]=4 2274 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000059025_100000210210 [1,0,0,0,0,0|1,0,0]=2 2275 B12R0.248 CCCCOCCCCC(=O)OC 34a_100000210227_100000204269 [1,0,0,0,0,0|1,0,0]=2 2276 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000059025_100000210211 [1,0,0,0,0,0|1,0,0]=2 2277 B12R0.248 CCCCOCCCCC(=O)OC 7a_100000210227_100000204269 [1,0,0,0,0,0|1,0,0]=2 2278 B12R0.248 CCCCOCCCNC(=O)CC 1626a_200000211371_100000210414 [1,0,0,0,0,0|2,0,0]=3 2279 B12R0.248 CCCCOCCCNC(=O)CC 240690a_200000211371_100000210414 [1,0,0,0,0,0|2,0,0]=3 2280 B12R0.248 CCCCOCCCNC(=O)CC 527a_200000211371_100000210414 [1,0,0,0,0,0|2,0,0]=3 2281 B12R0.248 CCCCOCCCNC(=O)CO 240690a_200000211371_100000210174 [1,0,0,0,0,0|3,0,0]=4 2282 B12R0.248 CCCCOCCCNC(=O)CO 527a_200000211371_100000210174 [1,0,0,0,0,0|3,0,0]=4 2283 B12R0.248 CCCCOCCCNC(=O)NC 2708a_100102657272_200000211371 [1,0,0,0,0,0|3,0,0]=4 2284 B12R0.248 CCCCOCCCNC(=O)NC 2708a_200000211371_106832991635 [1,0,0,0,0,0|3,0,0]=4 2285 B12R0.248 CCCCOCCCNC(=O)NC 273464a_100102657272_200000211371 [1,0,0,0,0,0|3,0,0]=4 2286 B12R0.248 CCCCOCCCNC(=O)NC 273464a_200000211371_100102657272 [1,0,0,0,0,0|3,0,0]=4 2287 B12R0.248 CCCCOCCCNC(=O)NC 512a_106832991638_200000211371 [1,0,0,0,0,0|3,0,0]=4 2288 B12R0.248 CCCCOCCCNC(=O)NC 512a_200000211371_100102657272 [1,0,0,0,0,0|3,0,0]=4 2289 B12R0.248 CCCCOCCNCC(=O)NC 2230a_100000693194_100000743108 [1,0,0,0,0,0|3,0,0]=4 2290 B12R0.248 CCCCOCCOCC(=O)CC 1458a_100011216887_100000210202 [1,0,0,0,0,0|2,0,0]=3 2291 B12R0.248 CCCCOCCOCC(=O)CC 34a_100000725409_100000743108 [1,0,0,0,0,0|2,0,0]=3 2292 B12R0.248 CCCCOCCOCC(=O)CC 7a_100000210238_100000747405 [1,0,0,0,0,0|2,0,0]=3 2293 B12R0.248 CCCCOCCOCC(=O)CF 1458a_100011216887_100015361967 [1,0,0,0,0,0|3,0,0]=4 2294 B12R0.248 CCCCOCCOCC(=O)NC 11a_106832991635_100011216887 [1,0,0,0,0,0|3,0,0]=4 2295 B12R0.248 CCCCOCCOCC(=O)NC 1626a_100102657272_100011216887 [1,0,0,0,0,0|3,0,0]=4 2296 B12R0.248 CCCCOCCOCC(=O)NC 240690a_100102657272_100011216887 [1,0,0,0,0,0|3,0,0]=4 2297 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000210238_100000183359 [1,0,0,0,0,0|3,0,0]=4 2298 B12R0.248 CCCCOCCOCC(=O)NC 34a_100000750040_100000743108 [1,0,0,0,0,0|3,0,0]=4 2299 B12R0.248 CCCCOCCOCC(=O)NC 527a_100102657272_100011216887 [1,0,0,0,0,0|3,0,0]=4 2300 B12R0.248 CCCCOCCOCC(=O)NC 7a_100000210238_100000183359 [1,0,0,0,0,0|3,0,0]=4 2301 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210227_100000090808 [1,0,0,0,0,0|2,0,0]=3 2302 B12R0.248 CCCCOCCOCC(=O)OC 34a_100000210238_100000747449 [1,0,0,0,0,0|2,0,0]=3 2303 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210227_100000090808 [1,0,0,0,0,0|2,0,0]=3 2304 B12R0.248 CCCCOCCOCC(=O)OC 7a_100000210238_100000747449 [1,0,0,0,0,0|2,0,0]=3 2305 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000743108_100000747405 [1,0,0,0,0,0|2,0,0]=3 2306 B12R0.248 CCCCOCCSCC(=O)CC 62a_100000747405_100000743108 [1,0,0,0,0,0|2,0,0]=3 2307 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000183359_100000743108 [1,0,0,0,0,0|3,0,0]=4 2308 B12R0.248 CCCCOCCSCC(=O)NC 62a_100000743108_100000183359 [1,0,0,0,0,0|3,0,0]=4 2309 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000743108_100000747449 [1,0,0,0,0,0|2,0,0]=3 2310 B12R0.248 CCCCOCCSCC(=O)OC 62a_100000747449_100000743108 [1,0,0,0,0,0|2,0,0]=3 2311 B12R0.248 CCCCOCNCCC(=O)NC 2230a_100000738227_100011995733 [1,0,0,0,0,0|3,0,0]=4 2312 B12R0.248 CCCCOCNCCC(=O)NC 34a_100000738227_100011995733 [1,0,0,0,0,0|3,0,0]=4 2313 B12R0.248 CCCCOCOCCC(=O)NC 34a_100000754576_100011995733 [1,0,0,0,0,0|3,0,0]=4 2314 B12R0.248 CCCCOCSCCC(=O)NC 62a_100000737683_100011995733 [1,0,0,0,0,0|3,0,0]=4 2315 B12R0.248 CCCCOCSCCC(=O)NC 62a_100011995733_100000737683 [1,0,0,0,0,0|3,0,0]=4 2316 B12R0.248 CCCCOCSCCC(=O)OC 62a_100000204255_100011995733 [1,0,0,0,0,0|2,0,0]=3 2317 B12R0.248 CCCCOCSCCC(=O)OC 62a_100011995733_100000204255 [1,0,0,0,0,0|2,0,0]=3 2318 B12R0.248 CCCCOCSCOC(=O)OC 62a_100011995733_100000139417 [1,0,0,0,0,0|3,0,0]=4 2319 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000204269_100000210210 [1,0,0,0,0,0|1,0,0]=2 2320 B12R0.248 CCCCSCCCCC(=O)OC 62a_100000210211_100000204269 [1,0,0,0,0,0|1,0,0]=2 2321 B12R0.248 CCCCSCCNCC(=O)NC 2230a_100025743550_100000183359 [1,0,0,0,0,0|3,0,0]=4 2322 B12R0.248 CCCCSCCNCC(=O)OC 2230a_100025743550_100000747449 [1,0,0,0,0,0|2,0,0]=3 2323 B12R0.248 CCCCSCCOCC(=O)CC 7a_200000230436_100000747405 [1,0,0,0,0,0|2,0,0]=3 2324 B12R0.248 CCCCSCCOCC(=O)NC 34a_200000230436_100000183359 [1,0,0,0,0,0|3,0,0]=4 2325 B12R0.248 CCCCSCCOCC(=O)NC 7a_200000230436_100000183359 [1,0,0,0,0,0|3,0,0]=4 2326 B12R0.248 CCCCSCCOCC(=O)OC 34a_200000230436_100000747449 [1,0,0,0,0,0|2,0,0]=3 2327 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000090808_100000210210 [1,0,0,0,0,0|2,0,0]=3 2328 B12R0.248 CCCCSCCOCC(=O)OC 62a_100000210211_100000090808 [1,0,0,0,0,0|2,0,0]=3 2329 B12R0.248 CCCCSCCOCC(=O)OC 7a_200000230436_100000747449 [1,0,0,0,0,0|2,0,0]=3 2330 B12R0.248 CCCNN=CCCCC(=O)OC 4a_100000740057_100000094087 [1,0,0,0,0,0|2,0,1]=4 2331 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000074720_100000210303 [1,0,0,0,0,0|1,0,0]=2 2332 B12R0.248 CCCOCCCCCC(=O)OC 34a_100000210258_100009816466 [1,0,0,0,0,0|1,0,0]=2 2333 B12R0.248 CCCOCCCCCC(=O)OC 7a_100000074720_100000210303 [1,0,0,0,0,0|1,0,0]=2 2334 B12R0.248 CCCOCCCCCC(C)CC 7a_200000035636_100000210303 [1,0,0,0,0,0|2,0,1]=4 2335 B12R0.248 CCCOCCCNCC(=O)NC 2230a_100011217757_100000183359 [1,0,0,0,0,0|3,0,0]=4 2336 B12R0.248 CCCOCCCNCC(=O)NC 34a_100011217757_100000183359 [1,0,0,0,0,0|3,0,0]=4 2337 B12R0.248 CCCOCCCNCC(=O)OC 2230a_100011217757_100000747449 [1,0,0,0,0,0|2,0,0]=3 2338 B12R0.248 CCCOCCCNCC(=O)OC 34a_100011217757_100000747449 [1,0,0,0,0,0|2,0,0]=3 2339 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100000738227_100011215938 [1,0,0,0,0,0|3,0,0]=4 2340 B12R0.248 CCCOCCNCCC(=O)NC 2230a_100161115042_100000737683 [1,0,0,0,0,0|3,0,0]=4 2341 B12R0.248 CCCOCCNCCC(=O)NC 34a_100000738227_100011215938 [1,0,0,0,0,0|3,0,0]=4 2342 B12R0.248 CCCOCCNCCC(=O)NC 34a_100161115042_100012179268 [1,0,0,0,0,0|3,0,0]=4 2343 B12R0.248 CCCOCCNCCC(=O)OC 2230a_100161115042_100000204255 [1,0,0,0,0,0|2,0,0]=3 2344 B12R0.248 CCCOCCNCCC(=O)OC 34a_100161115042_100000742370 [1,0,0,0,0,0|2,0,0]=3 2345 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000752267_100012179268 [1,0,0,0,0,0|3,0,0]=4 2346 B12R0.248 CCCOCCOCCC(=O)NC 34a_100000754576_100011215938 [1,0,0,0,0,0|3,0,0]=4 2347 B12R0.248 CCCOCCOCCC(=O)NC 7a_100000752267_100000737683 [1,0,0,0,0,0|3,0,0]=4 2348 B12R0.248 CCCOCCOCCC(=O)OC 34a_100000752267_100000742370 [1,0,0,0,0,0|2,0,0]=3 2349 B12R0.248 CCCOCCOCCC(=O)OC 7a_100000752267_100000204255 [1,0,0,0,0,0|2,0,0]=3 2350 B12R0.248 CCCOCCSCCC(=O)NC 62a_100000737683_100011215938 [1,0,0,0,0,0|3,0,0]=4 2351 B12R0.248 CCCOCCSCCC(=O)NC 62a_100011215938_100000737683 [1,0,0,0,0,0|3,0,0]=4 2352 B12R0.248 CCCOCCSCCC(=O)OC 62a_100000204255_100011215938 [1,0,0,0,0,0|2,0,0]=3 2353 B12R0.248 CCCOCCSCCC(=O)OC 62a_100011215938_100000204255 [1,0,0,0,0,0|2,0,0]=3 2354 B12R0.248 CCCOCCSCOC(=O)OC 62a_100011215938_100000139417 [1,0,0,0,0,0|3,0,0]=4 2355 B12R0.248 CCCSCCCCCC(=O)OC 62a_100000210303_100009816466 [1,0,0,0,0,0|1,0,0]=2 2356 B12R0.248 CCCSCCCCCC(=O)OC 62a_100009816466_100000210303 [1,0,0,0,0,0|1,0,0]=2 2357 B12R0.248 CCCSCCNCCC(=O)NC 2230a_100020603323_100000737683 [1,0,0,0,0,0|3,0,0]=4 2358 B12R0.248 CCCSCCNCCC(=O)OC 2230a_100020603323_100000204255 [1,0,0,0,0,0|2,0,0]=3 2359 B12R0.248 CCCSCCOCCC(=O)NC 34a_200000230433_100012179268 [1,0,0,0,0,0|3,0,0]=4 2360 B12R0.248 CCCSCCOCCC(=O)NC 7a_200000230433_100000737683 [1,0,0,0,0,0|3,0,0]=4 2361 B12R0.248 CCCSCCOCCC(=O)OC 34a_200000230433_100000742370 [1,0,0,0,0,0|2,0,0]=3 2362 B12R0.248 CCCSCCOCCC(=O)OC 7a_200000230433_100000204255 [1,0,0,0,0,0|2,0,0]=3 2363 B12R0.248 CCN(C)CCCCCCCCO 2230a_100000225621_100000033203 [1,0,0,0,0,0|3,0,0]=4 2364 B12R0.248 CCN(C)CCCCCCCCO 269982a_100000225621_100000033203 [1,0,0,0,0,0|3,0,0]=4 2365 B12R0.248 CCNCCCCCCC(=O)OC 2230a_100015525214_100009815986 [1,0,0,0,0,0|1,0,0]=2 2366 B12R0.248 CCNN=CCCCCC(=O)OC 4a_100000756455_100000052768 [1,0,0,0,0,0|2,0,1]=4 2367 B12R0.248 CCOCCCCCCC(=O)OC 34a_100009863599_100000210202 [1,0,0,0,0,0|1,0,0]=2 2368 B12R0.248 CCOCCCCCCC(=O)OC 34a_100121572206_100009815986 [1,0,0,0,0,0|1,0,0]=2 2369 B12R0.248 CCOCCCCCCC(=O)OC 7a_100009863599_100000210202 [1,0,0,0,0,0|1,0,0]=2 2370 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000210961_100000737683 [1,0,0,0,0,0|3,0,0]=4 2371 B12R0.248 CCOCCCNCCC(=O)NC 2230a_100000738227_100012232248 [1,0,0,0,0,0|3,0,0]=4 2372 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000210961_100012179268 [1,0,0,0,0,0|3,0,0]=4 2373 B12R0.248 CCOCCCNCCC(=O)NC 34a_100000738227_100012232248 [1,0,0,0,0,0|3,0,0]=4 2374 B12R0.248 CCOCCCNCCC(=O)OC 2230a_100000210961_100000204255 [1,0,0,0,0,0|2,0,0]=3 2375 B12R0.248 CCOCCCNCCC(=O)OC 34a_100000210961_100000742370 [1,0,0,0,0,0|2,0,0]=3 2376 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000754576_100012232248 [1,0,0,0,0,0|3,0,0]=4 2377 B12R0.248 CCOCCCOCCC(=O)NC 34a_100000757476_100012179268 [1,0,0,0,0,0|3,0,0]=4 2378 B12R0.248 CCOCCCOCCC(=O)NC 7a_100000757476_100000737683 [1,0,0,0,0,0|3,0,0]=4 2379 B12R0.248 CCOCCCOCCC(=O)OC 34a_100000757476_100000742370 [1,0,0,0,0,0|2,0,0]=3 2380 B12R0.248 CCOCCCOCCC(=O)OC 7a_100000757476_100000204255 [1,0,0,0,0,0|2,0,0]=3 2381 B12R0.248 CCOCCCSCCC(=O)NC 62a_100000737683_100012232248 [1,0,0,0,0,0|3,0,0]=4 2382 B12R0.248 CCOCCCSCCC(=O)NC 62a_100012232248_100000737683 [1,0,0,0,0,0|3,0,0]=4 2383 B12R0.248 CCOCCCSCCC(=O)OC 62a_100000204255_100012232248 [1,0,0,0,0,0|2,0,0]=3 2384 B12R0.248 CCOCCCSCCC(=O)OC 62a_100012232248_100000204255 [1,0,0,0,0,0|2,0,0]=3 2385 B12R0.248 CCOCCCSCOC(=O)OC 62a_100012232248_100000139417 [1,0,0,0,0,0|3,0,0]=4 2386 B12R0.248 CCOCCNCCCC(=O)NC 2230a_100000740002_100011215890 [1,0,0,0,0,0|3,0,0]=4 2387 B12R0.248 CCOCCNCCCC(=O)NC 2230a_102516460346_100000741757 [1,0,0,0,0,0|3,0,0]=4 2388 B12R0.248 CCOCCNCCCC(=O)NC 34a_100000740002_100000210147 [1,0,0,0,0,0|3,0,0]=4 2389 B12R0.248 CCOCCNCCCC(=O)NC 34a_102516460346_100000741757 [1,0,0,0,0,0|3,0,0]=4 2390 B12R0.248 CCOCCNCCCC(=O)OC 2230a_102516460346_100011218270 [1,0,0,0,0,0|2,0,0]=3 2391 B12R0.248 CCOCCNCCCC(=O)OC 34a_102516460346_100000742333 [1,0,0,0,0,0|2,0,0]=3 2392 B12R0.248 CCOCCNCCNC(=O)CC 34a_100132302217_100000210147 [1,0,0,0,0,0|3,0,0]=4 2393 B12R0.248 CCOCCOCCCC(=O)NC 34a_100000210136_100000741757 [1,0,0,0,0,0|3,0,0]=4 2394 B12R0.248 CCOCCOCCCC(=O)NC 7a_100000210136_100000741757 [1,0,0,0,0,0|3,0,0]=4 2395 B12R0.248 CCOCCOCCCC(=O)OC 34a_100000210136_100000742333 [1,0,0,0,0,0|2,0,0]=3 2396 B12R0.248 CCOCCOCCCC(=O)OC 7a_100000210136_100011218270 [1,0,0,0,0,0|2,0,0]=3 2397 B12R0.248 CCOCCOCCNC(=O)CC 11a_100102712874_100000210414 [1,0,0,0,0,0|3,0,0]=4 2398 B12R0.248 CCOCCOCCNC(=O)CC 1626a_100102712874_100000210414 [1,0,0,0,0,0|3,0,0]=4 2399 B12R0.248 CCOCCOCCNC(=O)CC 240690a_100102712874_100000210414 [1,0,0,0,0,0|3,0,0]=4 2400 B12R0.248 CCOCCOCCNC(=O)CC 34a_200000158885_100000210147 [1,0,0,0,0,0|3,0,0]=4 2401 B12R0.248 CCOCCOCCNC(=O)CC 527a_100102712874_100000210414 [1,0,0,0,0,0|3,0,0]=4 2402 B12R0.248 CCOCCOCCNC(=O)CC 7a_200000158885_100011215890 [1,0,0,0,0,0|3,0,0]=4 2403 B12R0.248 CCOCCOCCNC(=O)OC 34a_100000757965_100000210147 [1,0,0,0,0,0|3,0,0]=4 2404 B12R0.248 CCOCCOCCOC(=O)CC 7a_200000031056_100011215890 [1,0,0,0,0,0|3,0,0]=4 2405 B12R0.248 CCOCCOCCOC(=O)OC 34a_100010262106_100000210147 [1,0,0,0,0,0|3,0,0]=4 2406 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000210147_100000741757 [1,0,0,0,0,0|3,0,0]=4 2407 B12R0.248 CCOCCSCCCC(=O)NC 62a_100000741757_100011215890 [1,0,0,0,0,0|3,0,0]=4 2408 B12R0.248 CCOCCSCCCC(=O)OC 62a_100000210147_100011218270 [1,0,0,0,0,0|2,0,0]=3 2409 B12R0.248 CCOCCSCCCC(=O)OC 62a_100011218270_100011215890 [1,0,0,0,0,0|2,0,0]=3 2410 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000204269_100000739092 [1,0,0,0,0,0|2,0,0]=3 2411 B12R0.248 CCOCSCCCCC(=O)OC 62a_100000739092_100000204269 [1,0,0,0,0,0|2,0,0]=3 2412 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000090808_100000739092 [1,0,0,0,0,0|3,0,0]=4 2413 B12R0.248 CCOCSCCOCC(=O)OC 62a_100000739092_100000090808 [1,0,0,0,0,0|3,0,0]=4 2414 B12R0.248 CCSCCCCCCC(=O)OC 62a_100000210202_100009815986 [1,0,0,0,0,0|1,0,0]=2 2415 B12R0.248 CCSCCCCCCC(=O)OC 62a_100009815986_100000210202 [1,0,0,0,0,0|1,0,0]=2 2416 B12R0.248 CCSCCCOCCC(=O)NC 34a_100011216438_100012179268 [1,0,0,0,0,0|3,0,0]=4 2417 B12R0.248 CCSCCCOCCC(=O)NC 7a_100011216438_100000737683 [1,0,0,0,0,0|3,0,0]=4 2418 B12R0.248 CCSCCCOCCC(=O)OC 34a_100011216438_100000742370 [1,0,0,0,0,0|2,0,0]=3 2419 B12R0.248 CCSCCCOCCC(=O)OC 7a_100011216438_100000204255 [1,0,0,0,0,0|2,0,0]=3 2420 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000106463_100000741757 [1,0,0,0,0,0|3,0,0]=4 2421 B12R0.248 CCSCCNCCCC(=O)NC 2230a_100000740002_100000757381 [1,0,0,0,0,0|3,0,0]=4 2422 B12R0.248 CCSCCNCCCC(=O)NC 34a_100000740002_100000757381 [1,0,0,0,0,0|3,0,0]=4 2423 B12R0.248 CCSCCNCCCC(=O)OC 2230a_100000106463_100011218270 [1,0,0,0,0,0|2,0,0]=3 2424 B12R0.248 CCSCCNCCNC(=O)CC 34a_100132302217_100000757381 [1,0,0,0,0,0|3,0,0]=4 2425 B12R0.248 CCSCCOCCCC(=O)NC 34a_100000212035_100000741757 [1,0,0,0,0,0|3,0,0]=4 2426 B12R0.248 CCSCCOCCCC(=O)NC 7a_100000212035_100000741757 [1,0,0,0,0,0|3,0,0]=4 2427 B12R0.248 CCSCCOCCCC(=O)OC 34a_100000212035_100000742333 [1,0,0,0,0,0|2,0,0]=3 2428 B12R0.248 CCSCCOCCCC(=O)OC 7a_100000212035_100011218270 [1,0,0,0,0,0|2,0,0]=3 2429 B12R0.248 CCSCCOCCNC(=O)CC 34a_200000158885_100000757381 [1,0,0,0,0,0|3,0,0]=4 2430 B12R0.248 CCSCCOCCNC(=O)CC 7a_200000158885_100000757381 [1,0,0,0,0,0|3,0,0]=4 2431 B12R0.248 CCSCCOCCNC(=O)OC 34a_100000757965_100000757381 [1,0,0,0,0,0|3,0,0]=4 2432 B12R0.248 CCSCCOCCOC(=O)CC 7a_200000031056_100000757381 [1,0,0,0,0,0|3,0,0]=4 2433 B12R0.248 CCSCCOCCOC(=O)OC 34a_100010262106_100000757381 [1,0,0,0,0,0|3,0,0]=4 2434 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000741757_100000757381 [1,0,0,0,0,0|3,0,0]=4 2435 B12R0.248 CCSCCSCCCC(=O)NC 62a_100000757381_100000741757 [1,0,0,0,0,0|3,0,0]=4 2436 B12R0.248 CCSCCSCCCC(=O)OC 62a_100000757381_100011218270 [1,0,0,0,0,0|2,0,0]=3 2437 B12R0.248 CCSCCSCCCC(=O)OC 62a_100011218270_100000757381 [1,0,0,0,0,0|2,0,0]=3 2438 B12R0.248 CNC(=O)CCCCCCCCO 240690a_100102657272_100000015970 [1,0,0,0,0,0|2,0,0]=3 2439 B12R0.248 CNC(=O)CCCNCCCCF 2230a_100000740002_100000729493 [1,0,0,0,0,0|3,0,0]=4 2440 B12R0.248 CNC(=O)CCCNCCCCF 34a_100000740002_100000729493 [1,0,0,0,0,0|3,0,0]=4 2441 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000740002_100000210776 [1,0,0,0,0,0|3,0,0]=4 2442 B12R0.248 CNC(=O)CCCNCCCCO 2230a_100000750430_100000741757 [1,0,0,0,0,0|3,0,0]=4 2443 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000740002_100011216708 [1,0,0,0,0,0|3,0,0]=4 2444 B12R0.248 CNC(=O)CCCNCCCCO 34a_100000750430_100000741757 [1,0,0,0,0,0|3,0,0]=4 2445 B12R0.248 CNC(=O)CCCNCCCOC 2230a_100000740002_100000740836 [1,0,0,0,0,0|3,0,0]=4 2446 B12R0.248 CNC(=O)CCCNCCCOC 34a_100000740002_100000740836 [1,0,0,0,0,0|3,0,0]=4 2447 B12R0.248 CNC(=O)CCCNCCCOC 34a_100150723488_100000741757 [1,0,0,0,0,0|3,0,0]=4 2448 B12R0.248 CNC(=O)CCCNCCCSC 2230a_100000749238_100000741757 [1,0,0,0,0,0|3,0,0]=4 2449 B12R0.248 CNC(=O)CCCOCCCCBr 34a_100011216708_100000741757 [1,0,0,0,0,0|3,0,0]=4 2450 B12R0.248 CNC(=O)CCCOCCCCCl 34a_100000210776_100000741757 [1,0,0,0,0,0|3,0,0]=4 2451 B12R0.248 CNC(=O)CCCOCCCCCl 7a_100000210776_100000741757 [1,0,0,0,0,0|3,0,0]=4 2452 B12R0.248 CNC(=O)CCCOCCCCF 34a_100011995726_100000741757 [1,0,0,0,0,0|3,0,0]=4 2453 B12R0.248 CNC(=O)CCCOCCCCF 7a_100011995726_100000741757 [1,0,0,0,0,0|3,0,0]=4 2454 B12R0.248 CNC(=O)CCCOCCCCI 34a_200012148704_100000741757 [1,0,0,0,0,0|3,0,0]=4 2455 B12R0.248 CNC(=O)CCCOCCCCN 34a_100000750430_100000741757 [1,0,0,0,0,0|3,0,0]=4 2456 B12R0.248 CNC(=O)CCCOCCCOC 34a_100000740835_100000741757 [1,0,0,0,0,0|3,0,0]=4 2457 B12R0.248 CNC(=O)CCCOCCCSC 34a_100000690336_100000741757 [1,0,0,0,0,0|3,0,0]=4 2458 B12R0.248 CNC(=O)CCCOCCCSC 7a_100000690336_100000741757 [1,0,0,0,0,0|3,0,0]=4 2459 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000729493_100000741757 [1,0,0,0,0,0|3,0,0]=4 2460 B12R0.248 CNC(=O)CCCSCCCCF 62a_100000741757_100000729493 [1,0,0,0,0,0|3,0,0]=4 2461 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000210776_100000741757 [1,0,0,0,0,0|3,0,0]=4 2462 B12R0.248 CNC(=O)CCCSCCCCO 62a_100000741757_100000210776 [1,0,0,0,0,0|3,0,0]=4 2463 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000709357_100000741757 [1,0,0,0,0,0|3,0,0]=4 2464 B12R0.248 CNC(=O)CCCSCCCOC 62a_100000741757_100000709357 [1,0,0,0,0,0|3,0,0]=4 2465 B12R0.248 CNC(=O)CCNCCCCCF 2230a_100000738227_100000729378 [1,0,0,0,0,0|3,0,0]=4 2466 B12R0.248 CNC(=O)CCNCCCCCF 34a_100000738227_100000729378 [1,0,0,0,0,0|3,0,0]=4 2467 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000738227_100000746330 [1,0,0,0,0,0|3,0,0]=4 2468 B12R0.248 CNC(=O)CCNCCCCCO 2230a_100000762737_100000737683 [1,0,0,0,0,0|3,0,0]=4 2469 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000738227_100000746330 [1,0,0,0,0,0|3,0,0]=4 2470 B12R0.248 CNC(=O)CCNCCCCCO 34a_100000762737_100012179268 [1,0,0,0,0,0|3,0,0]=4 2471 B12R0.248 CNC(=O)CCNCCCCOC 2230a_100000738227_100000730899 [1,0,0,0,0,0|3,0,0]=4 2472 B12R0.248 CNC(=O)CCNCCCCOC 34a_100000738227_100000755781 [1,0,0,0,0,0|3,0,0]=4 2473 B12R0.248 CNC(=O)CCOCCCCCBr 34a_100000746331_100012179268 [1,0,0,0,0,0|3,0,0]=4 2474 B12R0.248 CNC(=O)CCOCCCCCBr 7a_100000746331_100000737683 [1,0,0,0,0,0|3,0,0]=4 2475 B12R0.248 CNC(=O)CCOCCCCCCl 34a_100000746330_100012179268 [1,0,0,0,0,0|3,0,0]=4 2476 B12R0.248 CNC(=O)CCOCCCCCCl 7a_100000746330_100000737683 [1,0,0,0,0,0|3,0,0]=4 2477 B12R0.248 CNC(=O)CCOCCCCCF 34a_100000754576_100000729378 [1,0,0,0,0,0|3,0,0]=4 2478 B12R0.248 CNC(=O)CCOCCCCCI 34a_200012148887_100012179268 [1,0,0,0,0,0|3,0,0]=4 2479 B12R0.248 CNC(=O)CCOCCCCCI 7a_200012148887_100000737683 [1,0,0,0,0,0|3,0,0]=4 2480 B12R0.248 CNC(=O)CCOCCCCCN 34a_100000762737_100012179268 [1,0,0,0,0,0|3,0,0]=4 2481 B12R0.248 CNC(=O)CCOCCCCCO 34a_100000754576_100000746330 [1,0,0,0,0,0|3,0,0]=4 2482 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000740925_100012179268 [1,0,0,0,0,0|3,0,0]=4 2483 B12R0.248 CNC(=O)CCOCCCCOC 34a_100000754576_100000755781 [1,0,0,0,0,0|3,0,0]=4 2484 B12R0.248 CNC(=O)CCOCCCCSC 34a_100011217163_100012179268 [1,0,0,0,0,0|3,0,0]=4 2485 B12R0.248 CNC(=O)CCOCCCCSC 7a_100011217163_100000737683 [1,0,0,0,0,0|3,0,0]=4 2486 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000729378_100000737683 [1,0,0,0,0,0|3,0,0]=4 2487 B12R0.248 CNC(=O)CCSCCCCCF 62a_100000737683_100000729378 [1,0,0,0,0,0|3,0,0]=4 2488 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000737683_100000746330 [1,0,0,0,0,0|3,0,0]=4 2489 B12R0.248 CNC(=O)CCSCCCCCO 62a_100000746330_100000737683 [1,0,0,0,0,0|3,0,0]=4 2490 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000730899_100000737683 [1,0,0,0,0,0|3,0,0]=4 2491 B12R0.248 CNC(=O)CCSCCCCOC 62a_100000737683_100000730899 [1,0,0,0,0,0|3,0,0]=4 2492 B12R0.248 CNC(=O)CNCCCCCCF 2230a_100000693194_100015922095 [1,0,0,0,0,0|3,0,0]=4 2493 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000686447_100000183359 [1,0,0,0,0,0|3,0,0]=4 2494 B12R0.248 CNC(=O)CNCCCCCCO 2230a_100000693194_100000766143 [1,0,0,0,0,0|3,0,0]=4 2495 B12R0.248 CNC(=O)CNCCCCCCO 34a_100000686447_100000183359 [1,0,0,0,0,0|3,0,0]=4 2496 B12R0.248 CNC(=O)CNCCCCCOC 2230a_100000747528_100000183359 [1,0,0,0,0,0|3,0,0]=4 2497 B12R0.248 CNC(=O)CNCCCCCOC 34a_100000747528_100000183359 [1,0,0,0,0,0|3,0,0]=4 2498 B12R0.248 CNC(=O)COCCCCCCBr 34a_100011215345_100000183359 [1,0,0,0,0,0|3,0,0]=4 2499 B12R0.248 CNC(=O)COCCCCCCBr 7a_100011215345_100000183359 [1,0,0,0,0,0|3,0,0]=4 2500 B12R0.248 CNC(=O)COCCCCCCCl 34a_100000766143_100000183359 [1,0,0,0,0,0|3,0,0]=4 2501 B12R0.248 CNC(=O)COCCCCCCCl 7a_100000766143_100000183359 [1,0,0,0,0,0|3,0,0]=4 2502 B12R0.248 CNC(=O)COCCCCCCF 34a_100000732779_100000183359 [1,0,0,0,0,0|3,0,0]=4 2503 B12R0.248 CNC(=O)COCCCCCCF 34a_100000750040_100015922095 [1,0,0,0,0,0|3,0,0]=4 2504 B12R0.248 CNC(=O)COCCCCCCF 7a_100000732779_100000183359 [1,0,0,0,0,0|3,0,0]=4 2505 B12R0.248 CNC(=O)COCCCCCCN 34a_100000686447_100000183359 [1,0,0,0,0,0|3,0,0]=4 2506 B12R0.248 CNC(=O)COCCCCCCO 34a_100000750040_100000766143 [1,0,0,0,0,0|3,0,0]=4 2507 B12R0.248 CNC(=O)CSCCCCCCF 62a_100000183359_100015922095 [1,0,0,0,0,0|3,0,0]=4 2508 B12R0.248 CNC(=O)CSCCCCCCF 62a_100015922095_100000183359 [1,0,0,0,0,0|3,0,0]=4 2509 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000183359_100000766143 [1,0,0,0,0,0|3,0,0]=4 2510 B12R0.248 CNC(=O)CSCCCCCCO 62a_100000766143_100000183359 [1,0,0,0,0,0|3,0,0]=4 2511 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100011996573_106832991635 [1,0,0,0,0,0|3,0,0]=4 2512 B12R0.248 CNC(=O)NCCCCCCCO 2708a_100102657272_100011996573 [1,0,0,0,0,0|3,0,0]=4 2513 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100011996573_100102657272 [1,0,0,0,0,0|3,0,0]=4 2514 B12R0.248 CNC(=O)NCCCCCCCO 273464a_100102657272_100011996573 [1,0,0,0,0,0|3,0,0]=4 2515 B12R0.248 CNC(=O)NCCCCCCCO 512a_100011996573_100102657272 [1,0,0,0,0,0|3,0,0]=4 2516 B12R0.248 CNC(=O)NCCCCCCCO 512a_106832991638_100011996573 [1,0,0,0,0,0|3,0,0]=4 2517 B12R0.248 CNCCCCCCCC(=O)OC 2230a_106832991635_100010004213 [1,0,0,0,0,0|1,0,0]=2 2518 B12R0.248 CNCCCCCCCC(=O)OC 34a_100102657272_100010004213 [1,0,0,0,0,0|1,0,0]=2 2519 B12R0.248 CNCCCCCCCC(=O)OC 7a_106832991635_100010004213 [1,0,0,0,0,0|1,0,0]=2 2520 B12R0.248 CNCCCCCOCC(=O)NC 34a_100000722520_100000183359 [1,0,0,0,0,0|3,0,0]=4 2521 B12R0.248 CNCCCCCOCC(=O)OC 34a_100000722520_100000747449 [1,0,0,0,0,0|2,0,0]=3 2522 B12R0.248 CNCCCOCCCC(=O)NC 34a_100000213112_100000741757 [1,0,0,0,0,0|3,0,0]=4 2523 B12R0.248 CNCCCOCCCC(=O)OC 34a_100000213112_100000742333 [1,0,0,0,0,0|2,0,0]=3 2524 B12R0.248 CNCCOCCOCC(=O)OC 34a_100000228057_100000747449 [1,0,0,0,0,0|3,0,0]=4 2525 B12R0.248 COC(=O)CCCCCCCO[13CH3] 34a_100011022521_200025704644 [1,0,0,0,0,0|1,0,0]=2 2526 B12R0.248 COC(=O)CCCCCCCO[13CH3] 7a_100011022521_200025704644 [1,0,0,0,0,0|1,0,0]=2 2527 B12R0.248 COC(=O)CCCCCCCSC 62a_100010004213_200000210301 [1,0,0,0,0,0|1,0,0]=2 2528 B12R0.248 COC(=O)CCCCCCCSC 62a_200000210301_100010004213 [1,0,0,0,0,0|1,0,0]=2 2529 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_100010004213_200025704644 [1,0,0,0,0,0|1,0,0]=2 2530 B12R0.248 COC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010004213 [1,0,0,0,0,0|1,0,0]=2 2531 B12R0.248 COC(=O)CCCCCCOCF 34a_100009863599_100015361967 [1,0,0,0,0,0|2,0,0]=3 2532 B12R0.248 COC(=O)CCCCCCOCF 7a_100009863599_100015361967 [1,0,0,0,0,0|2,0,0]=3 2533 B12R0.248 COC(=O)CCCCCCSCF 62a_100009815986_100015361967 [1,0,0,0,0,0|2,0,0]=3 2534 B12R0.248 COC(=O)CCCCCCSCF 62a_100015361967_100009815986 [1,0,0,0,0,0|2,0,0]=3 2535 B12R0.248 COC(=O)CCCCCNCCF 34a_100000724931_100009816466 [1,0,0,0,0,0|2,0,0]=3 2536 B12R0.248 COC(=O)CCCCCNCCO 2230a_100016997473_100009816466 [1,0,0,0,0,0|2,0,0]=3 2537 B12R0.248 COC(=O)CCCCCNCCO 34a_100016990907_100009816466 [1,0,0,0,0,0|2,0,0]=3 2538 B12R0.248 COC(=O)CCCCCOCC#N 7a_100000074720_100011215382 [1,0,0,0,0,0|2,0,1]=4 2539 B12R0.248 COC(=O)CCCCCOCC=O 34a_100000074720_200009817547 [1,0,0,0,0,0|2,0,1]=4 2540 B12R0.248 COC(=O)CCCCCOCC=O 7a_100000074720_200015260668 [1,0,0,0,0,0|2,0,1]=4 2541 B12R0.248 COC(=O)CCCCCOCCBr 34a_100000211926_100009816466 [1,0,0,0,0,0|2,0,0]=3 2542 B12R0.248 COC(=O)CCCCCOCCF 34a_100000074720_100011217306 [1,0,0,0,0,0|2,0,0]=3 2543 B12R0.248 COC(=O)CCCCCOCCF 7a_100000074720_100011217306 [1,0,0,0,0,0|2,0,0]=3 2544 B12R0.248 COC(=O)CCCCCOCCN 34a_100000210304_100009816466 [1,0,0,0,0,0|2,0,0]=3 2545 B12R0.248 COC(=O)CCCCCOCCO 34a_100000074720_100000211926 [1,0,0,0,0,0|2,0,0]=3 2546 B12R0.248 COC(=O)CCCCCOCCO 7a_100000074720_100000211926 [1,0,0,0,0,0|2,0,0]=3 2547 B12R0.248 COC(=O)CCCCCOCSC 34a_100000074720_100011218213 [1,0,0,0,0,0|2,0,0]=3 2548 B12R0.248 COC(=O)CCCCCSCC#N 62a_100009816466_100011215382 [1,0,0,0,0,0|2,0,1]=4 2549 B12R0.248 COC(=O)CCCCCSCC#N 62a_100011215382_100009816466 [1,0,0,0,0,0|2,0,1]=4 2550 B12R0.248 COC(=O)CCCCCSCC=O 62a_100009816466_200015260668 [1,0,0,0,0,0|2,0,1]=4 2551 B12R0.248 COC(=O)CCCCCSCC=O 62a_200015260668_100009816466 [1,0,0,0,0,0|2,0,1]=4 2552 B12R0.248 COC(=O)CCCCCSCCF 62a_100009816466_100011217306 [1,0,0,0,0,0|2,0,0]=3 2553 B12R0.248 COC(=O)CCCCCSCCF 62a_100011217306_100009816466 [1,0,0,0,0,0|2,0,0]=3 2554 B12R0.248 COC(=O)CCCCCSCCO 62a_100000211926_100009816466 [1,0,0,0,0,0|2,0,0]=3 2555 B12R0.248 COC(=O)CCCCCSCCO 62a_100009816466_100000211926 [1,0,0,0,0,0|2,0,0]=3 2556 B12R0.248 COC(=O)CCCCCSCSC 62a_100009816466_100011218213 [1,0,0,0,0,0|2,0,0]=3 2557 B12R0.248 COC(=O)CCCCCSCSC 62a_100011218213_100009816466 [1,0,0,0,0,0|2,0,0]=3 2558 B12R0.248 COC(=O)CCCCNCCCF 2230a_100015189416_100000204269 [1,0,0,0,0,0|2,0,0]=3 2559 B12R0.248 COC(=O)CCCCNCCCF 34a_100015189416_100000204269 [1,0,0,0,0,0|2,0,0]=3 2560 B12R0.248 COC(=O)CCCCNCCSC 2230a_100020590264_100000204269 [1,0,0,0,0,0|2,0,0]=3 2561 B12R0.248 COC(=O)CCCCOCCC#N 7a_100000059025_100000184422 [1,0,0,0,0,0|2,0,1]=4 2562 B12R0.248 COC(=O)CCCCOCCCBr 34a_100011217188_100000204269 [1,0,0,0,0,0|2,0,0]=3 2563 B12R0.248 COC(=O)CCCCOCCCCl 34a_100000230001_100000204269 [1,0,0,0,0,0|2,0,0]=3 2564 B12R0.248 COC(=O)CCCCOCCCF 34a_100000059025_100011934791 [1,0,0,0,0,0|2,0,0]=3 2565 B12R0.248 COC(=O)CCCCOCCCF 34a_100000759539_100000204269 [1,0,0,0,0,0|2,0,0]=3 2566 B12R0.248 COC(=O)CCCCOCCCF 7a_100000059025_100011934791 [1,0,0,0,0,0|2,0,0]=3 2567 B12R0.248 COC(=O)CCCCOCCCN 34a_100000182051_100000204269 [1,0,0,0,0,0|2,0,0]=3 2568 B12R0.248 COC(=O)CCCCOCCCO 34a_100000059025_100000230001 [1,0,0,0,0,0|2,0,0]=3 2569 B12R0.248 COC(=O)CCCCOCCCO 7a_100000059025_100011215043 [1,0,0,0,0,0|2,0,0]=3 2570 B12R0.248 COC(=O)CCCCOCCON 34a_100000700252_100000204269 [1,0,0,0,0,0|3,0,0]=4 2571 B12R0.248 COC(=O)CCCCOCCSC 34a_100000059025_100000212216 [1,0,0,0,0,0|2,0,0]=3 2572 B12R0.248 COC(=O)CCCCOCCSC 34a_100000230434_100000204269 [1,0,0,0,0,0|2,0,0]=3 2573 B12R0.248 COC(=O)CCCCOCCSC 7a_100000059025_100000212216 [1,0,0,0,0,0|2,0,0]=3 2574 B12R0.248 COC(=O)CCCCOCCSC 7a_100000230434_100000204269 [1,0,0,0,0,0|2,0,0]=3 2575 B12R0.248 COC(=O)CCCCSCCC#N 62a_100000204269_100011215226 [1,0,0,0,0,0|2,0,1]=4 2576 B12R0.248 COC(=O)CCCCSCCC#N 62a_100011215226_100000204269 [1,0,0,0,0,0|2,0,1]=4 2577 B12R0.248 COC(=O)CCCCSCCCF 62a_100000204269_100011934791 [1,0,0,0,0,0|2,0,0]=3 2578 B12R0.248 COC(=O)CCCCSCCCF 62a_100011934791_100000204269 [1,0,0,0,0,0|2,0,0]=3 2579 B12R0.248 COC(=O)CCCCSCCCO 62a_100000204269_100011215043 [1,0,0,0,0,0|2,0,0]=3 2580 B12R0.248 COC(=O)CCCCSCCCO 62a_100011215043_100000204269 [1,0,0,0,0,0|2,0,0]=3 2581 B12R0.248 COC(=O)CCCCSCCSC 62a_100000204269_100000751147 [1,0,0,0,0,0|2,0,0]=3 2582 B12R0.248 COC(=O)CCCCSCCSC 62a_100000212216_100000204269 [1,0,0,0,0,0|2,0,0]=3 2583 B12R0.248 COC(=O)CCCNCCCCO 2230a_100000750430_100011218270 [1,0,0,0,0,0|2,0,0]=3 2584 B12R0.248 COC(=O)CCCNCCCCO 34a_100000750430_100000742333 [1,0,0,0,0,0|2,0,0]=3 2585 B12R0.248 COC(=O)CCCNCCCSC 2230a_100000749238_100011218270 [1,0,0,0,0,0|2,0,0]=3 2586 B12R0.248 COC(=O)CCCOCCCCBr 34a_100011216708_100000742333 [1,0,0,0,0,0|2,0,0]=3 2587 B12R0.248 COC(=O)CCCOCCCCCl 34a_100000210776_100000742333 [1,0,0,0,0,0|2,0,0]=3 2588 B12R0.248 COC(=O)CCCOCCCCCl 7a_100000210776_100011218270 [1,0,0,0,0,0|2,0,0]=3 2589 B12R0.248 COC(=O)CCCOCCCCF 34a_100011995726_100000742333 [1,0,0,0,0,0|2,0,0]=3 2590 B12R0.248 COC(=O)CCCOCCCCF 7a_100011995726_100011218270 [1,0,0,0,0,0|2,0,0]=3 2591 B12R0.248 COC(=O)CCCOCCCCI 34a_200012148704_100000742333 [1,0,0,0,0,0|2,0,0]=3 2592 B12R0.248 COC(=O)CCCOCCCCN 34a_100000750430_100000742333 [1,0,0,0,0,0|2,0,0]=3 2593 B12R0.248 COC(=O)CCCOCCCSC 34a_100000690336_100000742333 [1,0,0,0,0,0|2,0,0]=3 2594 B12R0.248 COC(=O)CCCOCCCSC 7a_100000690336_100011218270 [1,0,0,0,0,0|2,0,0]=3 2595 B12R0.248 COC(=O)CCCSCCCC#N 62a_100000687738_100011218270 [1,0,0,0,0,0|2,0,1]=4 2596 B12R0.248 COC(=O)CCCSCCCC#N 62a_100011218270_100000687738 [1,0,0,0,0,0|2,0,1]=4 2597 B12R0.248 COC(=O)CCCSCCCC=O 62a_100011218270_200011292268 [1,0,0,0,0,0|2,0,1]=4 2598 B12R0.248 COC(=O)CCCSCCCC=O 62a_200011292268_100011218270 [1,0,0,0,0,0|2,0,1]=4 2599 B12R0.248 COC(=O)CCCSCCCCF 62a_100000729493_100011218270 [1,0,0,0,0,0|2,0,0]=3 2600 B12R0.248 COC(=O)CCCSCCCCF 62a_100011218270_100000729493 [1,0,0,0,0,0|2,0,0]=3 2601 B12R0.248 COC(=O)CCCSCCCCO 62a_100000210776_100011218270 [1,0,0,0,0,0|2,0,0]=3 2602 B12R0.248 COC(=O)CCCSCCCCO 62a_100011218270_100000210776 [1,0,0,0,0,0|2,0,0]=3 2603 B12R0.248 COC(=O)CCNCCCCCO 2230a_100000762737_100000204255 [1,0,0,0,0,0|2,0,0]=3 2604 B12R0.248 COC(=O)CCNCCCCCO 34a_100000762737_100000742370 [1,0,0,0,0,0|2,0,0]=3 2605 B12R0.248 COC(=O)CCNCCOCCO 2230a_100000211614_100000204255 [1,0,0,0,0,0|3,0,0]=4 2606 B12R0.248 COC(=O)CCNCCOCCO 34a_100000211614_100000742370 [1,0,0,0,0,0|3,0,0]=4 2607 B12R0.248 COC(=O)CCNCCSCCO 2230a_100011219999_100000204255 [1,0,0,0,0,0|3,0,0]=4 2608 B12R0.248 COC(=O)CCOCCCCCBr 34a_100000746331_100000742370 [1,0,0,0,0,0|2,0,0]=3 2609 B12R0.248 COC(=O)CCOCCCCCBr 7a_100000746331_100000204255 [1,0,0,0,0,0|2,0,0]=3 2610 B12R0.248 COC(=O)CCOCCCCCCl 34a_100000746330_100000742370 [1,0,0,0,0,0|2,0,0]=3 2611 B12R0.248 COC(=O)CCOCCCCCCl 7a_100000746330_100000204255 [1,0,0,0,0,0|2,0,0]=3 2612 B12R0.248 COC(=O)CCOCCCCCI 34a_200012148887_100000742370 [1,0,0,0,0,0|2,0,0]=3 2613 B12R0.248 COC(=O)CCOCCCCCI 7a_200012148887_100000204255 [1,0,0,0,0,0|2,0,0]=3 2614 B12R0.248 COC(=O)CCOCCCCCN 34a_100000762737_100000742370 [1,0,0,0,0,0|2,0,0]=3 2615 B12R0.248 COC(=O)CCOCCCCSC 34a_100011217163_100000742370 [1,0,0,0,0,0|2,0,0]=3 2616 B12R0.248 COC(=O)CCOCCCCSC 7a_100011217163_100000204255 [1,0,0,0,0,0|2,0,0]=3 2617 B12R0.248 COC(=O)CCOCCOCCBr 34a_100000692535_100000742370 [1,0,0,0,0,0|3,0,0]=4 2618 B12R0.248 COC(=O)CCOCCOCCBr 7a_100000692535_100000204255 [1,0,0,0,0,0|3,0,0]=4 2619 B12R0.248 COC(=O)CCOCCOCCCl 34a_100011215305_100000742370 [1,0,0,0,0,0|3,0,0]=4 2620 B12R0.248 COC(=O)CCOCCOCCCl 7a_100011215305_100000204255 [1,0,0,0,0,0|3,0,0]=4 2621 B12R0.248 COC(=O)CCOCCOCCF 34a_200015357709_100000742370 [1,0,0,0,0,0|3,0,0]=4 2622 B12R0.248 COC(=O)CCOCCOCCF 7a_200015357709_100000204255 [1,0,0,0,0,0|3,0,0]=4 2623 B12R0.248 COC(=O)CCOCCOCCI 34a_100012149058_100000742370 [1,0,0,0,0,0|3,0,0]=4 2624 B12R0.248 COC(=O)CCOCCOCCI 7a_100012149058_100000204255 [1,0,0,0,0,0|3,0,0]=4 2625 B12R0.248 COC(=O)CCOCCOCCN 34a_100000211614_100000742370 [1,0,0,0,0,0|3,0,0]=4 2626 B12R0.248 COC(=O)CCSCCCCC#N 62a_100000204255_100000211819 [1,0,0,0,0,0|2,0,1]=4 2627 B12R0.248 COC(=O)CCSCCCCC#N 62a_100011219923_100000204255 [1,0,0,0,0,0|2,0,1]=4 2628 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000139335_100000204255 [1,0,0,0,0,0|2,0,1]=4 2629 B12R0.248 COC(=O)CCSCCCCC=O 62a_100000204255_100000139335 [1,0,0,0,0,0|2,0,1]=4 2630 B12R0.248 COC(=O)CCSCCCCCF 62a_100000204255_100000729378 [1,0,0,0,0,0|2,0,0]=3 2631 B12R0.248 COC(=O)CCSCCCCCF 62a_100000729378_100000204255 [1,0,0,0,0,0|2,0,0]=3 2632 B12R0.248 COC(=O)CCSCCCCCO 62a_100000204255_100000746330 [1,0,0,0,0,0|2,0,0]=3 2633 B12R0.248 COC(=O)CCSCCCCCO 62a_100000746330_100000204255 [1,0,0,0,0,0|2,0,0]=3 2634 B12R0.248 COC(=O)CCSCCOCCO 62a_100000204255_100011215305 [1,0,0,0,0,0|3,0,0]=4 2635 B12R0.248 COC(=O)CCSCCOCCO 62a_100011215305_100000204255 [1,0,0,0,0,0|3,0,0]=4 2636 B12R0.248 COC(=O)CNCCCCCCO 2230a_100000686447_100000747449 [1,0,0,0,0,0|2,0,0]=3 2637 B12R0.248 COC(=O)CNCCCCCCO 34a_100000686447_100000747449 [1,0,0,0,0,0|2,0,0]=3 2638 B12R0.248 COC(=O)COCCCCCCBr 34a_100011215345_100000747449 [1,0,0,0,0,0|2,0,0]=3 2639 B12R0.248 COC(=O)COCCCCCCBr 7a_100011215345_100000747449 [1,0,0,0,0,0|2,0,0]=3 2640 B12R0.248 COC(=O)COCCCCCCCl 34a_100000766143_100000747449 [1,0,0,0,0,0|2,0,0]=3 2641 B12R0.248 COC(=O)COCCCCCCCl 7a_100000766143_100000747449 [1,0,0,0,0,0|2,0,0]=3 2642 B12R0.248 COC(=O)COCCCCCCF 34a_100000732779_100000747449 [1,0,0,0,0,0|2,0,0]=3 2643 B12R0.248 COC(=O)COCCCCCCF 7a_100000732779_100000747449 [1,0,0,0,0,0|2,0,0]=3 2644 B12R0.248 COC(=O)COCCCCCCN 34a_100000686447_100000747449 [1,0,0,0,0,0|2,0,0]=3 2645 B12R0.248 COC(=O)COCCNCCCF 2230a_100015189416_100000090808 [1,0,0,0,0,0|3,0,0]=4 2646 B12R0.248 COC(=O)COCCNCCCF 34a_100015189416_100000090808 [1,0,0,0,0,0|3,0,0]=4 2647 B12R0.248 COC(=O)COCCNCCSC 2230a_100020590264_100000090808 [1,0,0,0,0,0|3,0,0]=4 2648 B12R0.248 COC(=O)COCCOCCCBr 34a_100011217188_100000090808 [1,0,0,0,0,0|3,0,0]=4 2649 B12R0.248 COC(=O)COCCOCCCCl 34a_100000230001_100000090808 [1,0,0,0,0,0|3,0,0]=4 2650 B12R0.248 COC(=O)COCCOCCCF 34a_100000759539_100000090808 [1,0,0,0,0,0|3,0,0]=4 2651 B12R0.248 COC(=O)COCCOCCCN 34a_100000182051_100000090808 [1,0,0,0,0,0|3,0,0]=4 2652 B12R0.248 COC(=O)COCCOCCO[13CH3] 34a_100011023656_200025704644 [1,0,0,0,0,0|3,0,0]=4 2653 B12R0.248 COC(=O)COCCOCCO[13CH3] 7a_100011023656_200025704644 [1,0,0,0,0,0|3,0,0]=4 2654 B12R0.248 COC(=O)COCCOCCSC 34a_100000230434_100000090808 [1,0,0,0,0,0|3,0,0]=4 2655 B12R0.248 COC(=O)COCCOCCSC 7a_100000230434_100000090808 [1,0,0,0,0,0|3,0,0]=4 2656 B12R0.248 COC(=O)COCCSCCCF 62a_100000090808_100011934791 [1,0,0,0,0,0|3,0,0]=4 2657 B12R0.248 COC(=O)COCCSCCCF 62a_100011934791_100000090808 [1,0,0,0,0,0|3,0,0]=4 2658 B12R0.248 COC(=O)COCCSCCCO 62a_100000090808_100011215043 [1,0,0,0,0,0|3,0,0]=4 2659 B12R0.248 COC(=O)COCCSCCCO 62a_100011215043_100000090808 [1,0,0,0,0,0|3,0,0]=4 2660 B12R0.248 COC(=O)COCCSCCSC 62a_100000090808_100000751147 [1,0,0,0,0,0|3,0,0]=4 2661 B12R0.248 COC(=O)COCCSCCSC 62a_100000212216_100000090808 [1,0,0,0,0,0|3,0,0]=4 2662 B12R0.248 COC(=O)CSCCCCCC#N 62a_100000747449_100009813376 [1,0,0,0,0,0|2,0,1]=4 2663 B12R0.248 COC(=O)CSCCCCCC#N 62a_100009813376_100000747449 [1,0,0,0,0,0|2,0,1]=4 2664 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000139337_100000747449 [1,0,0,0,0,0|2,0,1]=4 2665 B12R0.248 COC(=O)CSCCCCCC=O 62a_100000747449_100000139337 [1,0,0,0,0,0|2,0,1]=4 2666 B12R0.248 COC(=O)CSCCCCCCF 62a_100000747449_100015922095 [1,0,0,0,0,0|2,0,0]=3 2667 B12R0.248 COC(=O)CSCCCCCCF 62a_100015922095_100000747449 [1,0,0,0,0,0|2,0,0]=3 2668 B12R0.248 COC(=O)CSCCCCCCO 62a_100000747449_100000766143 [1,0,0,0,0,0|2,0,0]=3 2669 B12R0.248 COC(=O)CSCCCCCCO 62a_100000766143_100000747449 [1,0,0,0,0,0|2,0,0]=3 2670 B12R0.248 COC(=O)NCCOCCCCF 34a_100000757965_100000729493 [1,0,0,0,0,0|3,0,0]=4 2671 B12R0.248 COC(=O)NCCOCCCCO 34a_100000757965_100011216708 [1,0,0,0,0,0|3,0,0]=4 2672 B12R0.248 COC(=O)OCCOCCCCF 34a_100010262106_100000729493 [1,0,0,0,0,0|3,0,0]=4 2673 B12R0.248 COC(=O)OCCOCCCCO 34a_100010262106_100011216708 [1,0,0,0,0,0|3,0,0]=4 2674 B12R0.248 COC(=O)OCSCCCCCF 62a_100000729378_100000139417 [1,0,0,0,0,0|3,0,0]=4 2675 B12R0.248 COC(=O)OCSCCCCCO 62a_100000746330_100000139417 [1,0,0,0,0,0|3,0,0]=4 2676 B12R0.248 COCCCCCCCC(=O)OC 34a_100011022521_200000210301 [1,0,0,0,0,0|1,0,0]=2 2677 B12R0.248 COCCCCCCCC(=O)OC 34a_100138415774_100010004213 [1,0,0,0,0,0|1,0,0]=2 2678 B12R0.248 COCCCCCCCC(=O)OC 7a_100011022521_200000210301 [1,0,0,0,0,0|1,0,0]=2 2679 B12R0.248 COCCCCCNCC(=O)OC 2230a_100000747528_100000747449 [1,0,0,0,0,0|2,0,0]=3 2680 B12R0.248 COCCCCCNCC(=O)OC 34a_100000747528_100000747449 [1,0,0,0,0,0|2,0,0]=3 2681 B12R0.248 COCCCCOCCC(=O)OC 34a_100000740925_100000742370 [1,0,0,0,0,0|2,0,0]=3 2682 B12R0.248 COCCCCSCCC(=O)OC 62a_100000204255_100000730899 [1,0,0,0,0,0|2,0,0]=3 2683 B12R0.248 COCCCCSCCC(=O)OC 62a_100000730899_100000204255 [1,0,0,0,0,0|2,0,0]=3 2684 B12R0.248 COCCCCSCOC(=O)OC 62a_100000730899_100000139417 [1,0,0,0,0,0|3,0,0]=4 2685 B12R0.248 COCCCNCCCC(=O)OC 34a_100150723488_100000742333 [1,0,0,0,0,0|2,0,0]=3 2686 B12R0.248 COCCCOCCCC(=O)OC 34a_100000740835_100000742333 [1,0,0,0,0,0|2,0,0]=3 2687 B12R0.248 COCCCOCCNC(=O)OC 34a_100000757965_100000740836 [1,0,0,0,0,0|3,0,0]=4 2688 B12R0.248 COCCCOCCOC(=O)OC 34a_100010262106_100000740836 [1,0,0,0,0,0|3,0,0]=4 2689 B12R0.248 COCCCSCCCC(=O)OC 62a_100000709357_100011218270 [1,0,0,0,0,0|2,0,0]=3 2690 B12R0.248 COCCCSCCCC(=O)OC 62a_100011218270_100000709357 [1,0,0,0,0,0|2,0,0]=3 2691 B12R0.248 COCCNCCCCC(=O)OC 2230a_100000209980_100000204269 [1,0,0,0,0,0|2,0,0]=3 2692 B12R0.248 COCCNCCOCC(=O)OC 2230a_100000209980_100000090808 [1,0,0,0,0,0|3,0,0]=4 2693 B12R0.248 COCCOCCCCC(=O)OC 34a_100000059025_100011201679 [1,0,0,0,0,0|2,0,0]=3 2694 B12R0.248 COCCOCCCCC(=O)OC 34a_100000210237_100000204269 [1,0,0,0,0,0|2,0,0]=3 2695 B12R0.248 COCCOCCCCC(=O)OC 7a_100000059025_100000233755 [1,0,0,0,0,0|2,0,0]=3 2696 B12R0.248 COCCOCCNCC(=O)OC 2230a_100000745349_100000747449 [1,0,0,0,0,0|3,0,0]=4 2697 B12R0.248 COCCOCCNCC(=O)OC 34a_100000745349_100000747449 [1,0,0,0,0,0|3,0,0]=4 2698 B12R0.248 COCCOCCOCC(=O)OC 34a_100000210237_100000090808 [1,0,0,0,0,0|3,0,0]=4 2699 B12R0.248 COCCOCCOCC(=O)OC 34a_100011023656_200000210301 [1,0,0,0,0,0|3,0,0]=4 2700 B12R0.248 COCCOCCOCC(=O)OC 34a_100011215163_100000747449 [1,0,0,0,0,0|3,0,0]=4 2701 B12R0.248 COCCOCCOCC(=O)OC 7a_100011023656_200000210301 [1,0,0,0,0,0|3,0,0]=4 2702 B12R0.248 COCCOCCOCC(=O)OC 7a_100011215163_100000747449 [1,0,0,0,0,0|3,0,0]=4 2703 B12R0.248 COCCOCCSCC(=O)OC 62a_100000695917_100000747449 [1,0,0,0,0,0|3,0,0]=4 2704 B12R0.248 COCCOCCSCC(=O)OC 62a_100000747449_100000695917 [1,0,0,0,0,0|3,0,0]=4 2705 B12R0.248 COCCOCSCCC(=O)OC 62a_100000204255_100000231047 [1,0,0,0,0,0|3,0,0]=4 2706 B12R0.248 COCCOCSCCC(=O)OC 62a_100000231047_100000204255 [1,0,0,0,0,0|3,0,0]=4 2707 B12R0.248 COCCSCCCCC(=O)OC 62a_100000204269_100000233755 [1,0,0,0,0,0|2,0,0]=3 2708 B12R0.248 COCCSCCCCC(=O)OC 62a_100000233755_100000204269 [1,0,0,0,0,0|2,0,0]=3 2709 B12R0.248 COCCSCCOCC(=O)OC 62a_100000090808_100000233755 [1,0,0,0,0,0|3,0,0]=4 2710 B12R0.248 COCCSCCOCC(=O)OC 62a_100000233755_100000090808 [1,0,0,0,0,0|3,0,0]=4 2711 B12R0.248 COCSCCCCCC(=O)OC 62a_100000766300_100009816466 [1,0,0,0,0,0|2,0,0]=3 2712 B12R0.248 COCSCCCCCC(=O)OC 62a_100009816466_100000766300 [1,0,0,0,0,0|2,0,0]=3 2713 B12R0.248 O=C(CO)CCCCCCCCO 1458a_100000210174_100000033203 [1,0,0,0,0,0|2,0,0]=3 2714 B12R0.248 O=C(CO)NCCCCCCCO 240690a_100011996573_100000210174 [1,0,0,0,0,0|3,0,0]=4 2715 B14R0.1 C#CCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000184674 [0,1,0,0,0,0|0,0,3]=4 2716 B14R0.1 C#CCC(=O)CCCCCC(=O)OCC 1458a_100011220946_100000755133 [0,1,0,0,0,0|0,0,3]=4 2717 B14R0.1 C#CCC(C)OCCCCC(=O)OCC 34a_100000685586_100000750268 [0,1,0,0,0,0|1,0,2]=4 2718 B14R0.1 C#CCC(C)OCCCCC(=O)OCC 7a_100000685586_100000750268 [0,1,0,0,0,0|1,0,2]=4 2719 B14R0.1 C#CCN(C)CCCCCC(=O)OCC 2230a_100000225692_100000755133 [0,1,0,0,0,0|1,0,2]=4 2720 B14R0.1 C#CCN(C)CCCCCC(=O)OCC 34a_100000225692_100000755133 [0,1,0,0,0,0|1,0,2]=4 2721 B14R0.1 C/C=C/C(C)OCCCCC(=O)OCC 34a_200102604097_100000750268 [0,1,0,0,0,0|1,0,2]=4 2722 B14R0.1 C=CCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210623 [0,1,0,0,0,0|0,0,3]=4 2723 B14R0.1 C=CCC(=O)CCCCCC(=O)OCC 1458a_100000210193_100000755133 [0,1,0,0,0,0|0,0,3]=4 2724 B14R0.1 C=CCC(C)COCCCC(=O)OCC 34a_100009832082_100009991533 [0,1,0,0,0,0|1,0,2]=4 2725 B14R0.1 C=CCC(C)COCCCC(=O)OCC 7a_100009832082_100011215271 [0,1,0,0,0,0|1,0,2]=4 2726 B14R0.1 C=CCN(C)CCCCCC(=O)OCC 2230a_100000225617_100000755133 [0,1,0,0,0,0|1,0,2]=4 2727 B14R0.1 C=CCN(C)CCCCCC(=O)OCC 269982a_100000225617_100000755133 [0,1,0,0,0,0|1,0,2]=4 2728 B14R0.1 C=CC[C@@H](C)OCCCCC(=O)OCC 34a_100000731007_100000750268 [0,1,0,0,0,0|1,0,2]=4 2729 B14R0.1 C=CC[C@@H](C)OCCCCC(=O)OCC 7a_100000731007_100000750268 [0,1,0,0,0,0|1,0,2]=4 2730 B14R0.1 C=CC[C@@H](N)COCCCC(=O)OCC 34a_100020615467_100009991533 [0,1,0,0,0,0|1,0,2]=4 2731 B14R0.1 C=COC(=O)COCCCC(C)CCC 34a_100011713154_100000036128 [0,1,0,0,0,0|1,0,2]=4 2732 B14R0.1 CC#CC(=O)CCCCCC(=O)OCC 1458a_100000763181_100000755133 [0,1,0,0,0,0|0,0,3]=4 2733 B14R0.1 CC#CC(C)OCCCCC(=O)OCC 34a_100011216543_100000750268 [0,1,0,0,0,0|1,0,2]=4 2734 B14R0.1 CC=CC(=O)CCCCCC(=O)OCC 1458a_100000210699_100000755133 [0,1,0,0,0,0|0,0,3]=4 2735 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210303 [0,1,0,0,0,0|0,0,1]=2 2736 B14R0.1 CCCC(=O)CCCCCC(=O)OCC 1458a_100000211992_100000755133 [0,1,0,0,0,0|0,0,1]=2 2737 B14R0.1 CCCC(=O)CCCOCC(=O)OCC 1458a_100000211992_100009893628 [0,1,0,0,0,0|1,0,1]=3 2738 B14R0.1 CCCC(=O)COCCCC(=O)OCC 7a_100012001163_100000747444 [0,1,0,0,0,0|1,0,1]=3 2739 B14R0.1 CCCC(=O)COCCCC(C)CCC 7a_100011713154_100000747444 [0,1,0,0,0,0|2,0,0]=3 2740 B14R0.1 CCCC(=O)CSCCCC(=O)OCC 62a_100000747444_100009991533 [0,1,0,0,0,0|1,0,1]=3 2741 B14R0.1 CCCC(=O)CSCCCC(=O)OCC 62a_100009991533_100000747444 [0,1,0,0,0,0|1,0,1]=3 2742 B14R0.1 CCCC(=O)CSCCNC(=O)OCC 62a_100000747444_200011445536 [0,1,0,0,0,0|2,0,1]=4 2743 B14R0.1 CCCC(=O)NCCCCC(=O)OCC 188690a_100000718961_100000211992 [0,1,0,0,0,0|1,0,1]=3 2744 B14R0.1 CCCC(=O)OCOCCC(C)CCC 34a_100011217855_100000034017 [0,1,0,0,0,0|3,0,0]=4 2745 B14R0.1 CCCC(=O)OCOCC[C@@H](N)CCC 34a_100015193777_100000034017 [0,1,0,0,0,0|3,0,0]=4 2746 B14R0.1 CCCC(=O)OCSCCC(=O)OCC 62a_100000765890_100000034017 [0,1,0,0,0,0|2,0,1]=4 2747 B14R0.1 CCCC(C)CCCOCC(=O)NCC 34a_100011713154_100000183381 [0,1,0,0,0,0|2,0,0]=3 2748 B14R0.1 CCCC(C)CCCOCC(=O)NCC 7a_100011713154_100000183381 [0,1,0,0,0,0|2,0,0]=3 2749 B14R0.1 CCCC(C)CCCOCC(=O)NCO 34a_100011713154_100000185155 [0,1,0,0,0,0|3,0,0]=4 2750 B14R0.1 CCCC(C)CCCOCC(=O)NCO 7a_100011713154_100000185155 [0,1,0,0,0,0|3,0,0]=4 2751 B14R0.1 CCCC(C)CCCOCC(=O)OCC 34a_100011713154_100000188475 [0,1,0,0,0,0|1,0,0]=2 2752 B14R0.1 CCCC(C)CCCOCC(=O)OCC 7a_100011713154_100000188475 [0,1,0,0,0,0|1,0,0]=2 2753 B14R0.1 CCCC(C)CCOCCC(=O)NCC 7a_100011217855_100000737597 [0,1,0,0,0,0|2,0,0]=3 2754 B14R0.1 CCCC(C)CCOCCC(=O)OCC 34a_100011217855_100000765890 [0,1,0,0,0,0|1,0,0]=2 2755 B14R0.1 CCCC(C)CCOCCC(=O)OCC 7a_100011217855_100011206558 [0,1,0,0,0,0|1,0,0]=2 2756 B14R0.1 CCCC(C)COC/C=C/C(=O)OCC 34a_100000688023_100016267167 [0,1,0,0,0,0|1,0,2]=4 2757 B14R0.1 CCCC(C)COC/C=C/C(=O)OCC 7a_100000688023_100016267167 [0,1,0,0,0,0|1,0,2]=4 2758 B14R0.1 CCCC(C)COCCCC(=O)OCC 34a_100000688023_100009991533 [0,1,0,0,0,0|1,0,0]=2 2759 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100000688023_100011215271 [0,1,0,0,0,0|1,0,0]=2 2760 B14R0.1 CCCC(C)COCCCC(=O)OCC 7a_100012001163_100011216630 [0,1,0,0,0,0|1,0,0]=2 2761 B14R0.1 CCCC(C)COCCNC(=O)OCC 34a_100000158857_100011216630 [0,1,0,0,0,0|2,0,0]=3 2762 B14R0.1 CCCC(C)COCCNC(=O)OCC 7a_100000688023_200011445536 [0,1,0,0,0,0|2,0,0]=3 2763 B14R0.1 CCCC(C)CSC/C=C/C(=O)OCC 62a_100011216630_100016267167 [0,1,0,0,0,0|1,0,2]=4 2764 B14R0.1 CCCC(C)CSC/C=C/C(=O)OCC 62a_100016267167_100011216630 [0,1,0,0,0,0|1,0,2]=4 2765 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100009991533_100011216630 [0,1,0,0,0,0|1,0,0]=2 2766 B14R0.1 CCCC(C)CSCCCC(=O)OCC 62a_100011216630_100009991533 [0,1,0,0,0,0|1,0,0]=2 2767 B14R0.1 CCCC(C)CSCCNC(=O)OCC 62a_100011216630_200011445536 [0,1,0,0,0,0|2,0,0]=3 2768 B14R0.1 CCCC(C)NCCCCC(=O)OCC 2230a_100000741246_100000750268 [0,1,0,0,0,0|1,0,0]=2 2769 B14R0.1 CCCC(C)NCCOCC(=O)OCC 2230a_100000741246_100000088970 [0,1,0,0,0,0|2,0,0]=3 2770 B14R0.1 CCCC(C)OCCCCC(=O)OCC 34a_100000764384_100000750268 [0,1,0,0,0,0|1,0,0]=2 2771 B14R0.1 CCCC(C)OCCCCC(=O)OCC 7a_100000764384_100000750268 [0,1,0,0,0,0|1,0,0]=2 2772 B14R0.1 CCCC(C)OCCOCC(=O)OCC 34a_100000764384_100000088970 [0,1,0,0,0,0|2,0,0]=3 2773 B14R0.1 CCCC(C)OCCOCC(=O)OCC 7a_100000764384_100000088970 [0,1,0,0,0,0|2,0,0]=3 2774 B14R0.1 CCCC(C)OCCSCC(=O)OCC 7a_200000230590_100000766640 [0,1,0,0,0,0|2,0,0]=3 2775 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000750268_100000766640 [0,1,0,0,0,0|1,0,0]=2 2776 B14R0.1 CCCC(C)SCCCCC(=O)OCC 62a_100000766640_100000750268 [0,1,0,0,0,0|1,0,0]=2 2777 B14R0.1 CCCC(C)SCCOCC(=O)OCC 62a_100000088970_100000766640 [0,1,0,0,0,0|2,0,0]=3 2778 B14R0.1 CCCC(C)SCCOCC(=O)OCC 62a_100000766640_100000088970 [0,1,0,0,0,0|2,0,0]=3 2779 B14R0.1 CCCN(C)CCCCCC(=O)OCC 2230a_100000747261_100000755133 [0,1,0,0,0,0|1,0,0]=2 2780 B14R0.1 CCCN(C)CCCCCC(=O)OCC 269982a_100000747261_100000755133 [0,1,0,0,0,0|1,0,0]=2 2781 B14R0.1 CCCN(C)CCCOCC(=O)OCC 2230a_100000747261_100009893628 [0,1,0,0,0,0|2,0,0]=3 2782 B14R0.1 CCCN(C)CCCOCC(=O)OCC 269982a_100000747261_100009893628 [0,1,0,0,0,0|2,0,0]=3 2783 B14R0.1 CCC[C@H](N)CCOCCC(=O)OCC 34a_100015193777_100000765890 [0,1,0,0,0,0|1,0,0]=2 2784 B14R0.1 CCC[C@H](N)COC/C=C/C(=O)OCC 34a_100000732646_100016267167 [0,1,0,0,0,0|1,0,2]=4 2785 B14R0.1 CCC[C@H](N)COCCCC(=O)OCC 34a_100000732646_100009991533 [0,1,0,0,0,0|1,0,0]=2 2786 B14R0.1 CCNC(=O)CCCCCC(=O)OCC 11a_100015525214_100000037472 [0,1,0,0,0,0|1,0,1]=3 2787 B14R0.1 CCNC(=O)CCCCCC(=O)OCC 240690a_100015525214_100000037472 [0,1,0,0,0,0|1,0,1]=3 2788 B14R0.1 CCNC(=O)CCCCCC(=O)OCC 527a_100015525214_100000037472 [0,1,0,0,0,0|1,0,1]=3 2789 B14R0.1 CCNC(=O)CCNCCC(=O)OCC 34a_100025743525_100000765890 [0,1,0,0,0,0|2,0,1]=4 2790 B14R0.1 CCNC(=O)CCSCCC(=O)OCC 62a_100000737597_100000765890 [0,1,0,0,0,0|2,0,1]=4 2791 B14R0.1 CCNC(=O)CCSCCC(=O)OCC 62a_100000765890_100000737597 [0,1,0,0,0,0|2,0,1]=4 2792 B14R0.1 CCNC(=O)CNCCCC(=O)OCC 2230a_100016988866_100009991533 [0,1,0,0,0,0|2,0,1]=4 2793 B14R0.1 CCNC(=O)COCCCC(=O)OCC 7a_100012001163_100000183381 [0,1,0,0,0,0|2,0,1]=4 2794 B14R0.1 CCNC(=O)CSCCCC(=O)OCC 62a_100000183381_100009991533 [0,1,0,0,0,0|2,0,1]=4 2795 B14R0.1 CCNC(=O)CSCCCC(=O)OCC 62a_100009991533_100000183381 [0,1,0,0,0,0|2,0,1]=4 2796 B14R0.1 CCOC(=O)CCCCCC(=O)CC#N 1458a_100000037472_100011214920 [0,1,0,0,0,0|1,0,2]=4 2797 B14R0.1 CCOC(=O)CCCCCC(=O)CC#N 1458a_100051588842_100000755133 [0,1,0,0,0,0|1,0,2]=4 2798 B14R0.1 CCOC(=O)CCCCCC(=O)CCF 1458a_100000037472_100011217306 [0,1,0,0,0,0|1,0,1]=3 2799 B14R0.1 CCOC(=O)CCCCCC(=O)CCO 1458a_100000037472_100000211926 [0,1,0,0,0,0|1,0,1]=3 2800 B14R0.1 CCOC(=O)CCCCCC(=O)CCO 1458a_100011216618_100000755133 [0,1,0,0,0,0|1,0,1]=3 2801 B14R0.1 CCOC(=O)CCCCCC(=O)COC 1458a_100000210968_100000755133 [0,1,0,0,0,0|1,0,1]=3 2802 B14R0.1 CCOC(=O)CCCCCC(=O)CSC 1458a_100000184570_100000755133 [0,1,0,0,0,0|1,0,1]=3 2803 B14R0.1 CCOC(=O)CCCCCC(=O)NNC 22a_100016993582_100000037472 [0,1,0,0,0,0|2,0,1]=4 2804 B14R0.1 CCOC(=O)CCCCCN(C)CC#N 2230a_100000748184_100000755133 [0,1,0,0,0,0|2,0,1]=4 2805 B14R0.1 CCOC(=O)CCCCCN(C)CCO 2230a_100000210263_100000755133 [0,1,0,0,0,0|2,0,0]=3 2806 B14R0.1 CCOC(=O)CCCCCN(C)CCO 269982a_100000210263_100000755133 [0,1,0,0,0,0|2,0,0]=3 2807 B14R0.1 CCOC(=O)CCCCNC(=O)COC 188690a_100000718961_100000210968 [0,1,0,0,0,0|2,0,1]=4 2808 B14R0.1 CCOC(=O)CCCCNC(=O)CSC 188690a_100000718961_100000184570 [0,1,0,0,0,0|2,0,1]=4 2809 B14R0.1 CCOC(=O)CCCCN[C@@H](C)CC#N 2230a_100016994482_100000750268 [0,1,0,0,0,0|2,0,1]=4 2810 B14R0.1 CCOC(=O)CCCCN[C@H](C)CCO 2230a_100000706166_100000750268 [0,1,0,0,0,0|2,0,0]=3 2811 B14R0.1 CCOC(=O)CCCCN[C@H](C)CCO 34a_100000706166_100000750268 [0,1,0,0,0,0|2,0,0]=3 2812 B14R0.1 CCOC(=O)CCCCN[C@H](C)COC 2230a_100000764878_100000750268 [0,1,0,0,0,0|2,0,0]=3 2813 B14R0.1 CCOC(=O)CCCCOC(C)CCBr 34a_100012276601_100000750268 [0,1,0,0,0,0|2,0,0]=3 2814 B14R0.1 CCOC(=O)CCCCO[C@H](C)COC 34a_100011934205_100000750268 [0,1,0,0,0,0|2,0,0]=3 2815 B14R0.1 CCOC(=O)CCCCSC(C)CC#N 62a_100000750268_100009813641 [0,1,0,0,0,0|2,0,1]=4 2816 B14R0.1 CCOC(=O)CCCCSC(C)CC#N 62a_100009813641_100000750268 [0,1,0,0,0,0|2,0,1]=4 2817 B14R0.1 CCOC(=O)CCCCSC(C)CCO 62a_100000750268_100009893172 [0,1,0,0,0,0|2,0,0]=3 2818 B14R0.1 CCOC(=O)CCCCSC(C)CCO 62a_100009893172_100000750268 [0,1,0,0,0,0|2,0,0]=3 2819 B14R0.1 CCOC(=O)CCCCSC(C)COC 62a_100000750268_100000765312 [0,1,0,0,0,0|2,0,0]=3 2820 B14R0.1 CCOC(=O)CCCCSC(C)COC 62a_100000765312_100000750268 [0,1,0,0,0,0|2,0,0]=3 2821 B14R0.1 CCOC(=O)CCCNCC(O)COC 2230a_100000756049_100009991533 [0,1,0,0,0,0|2,0,0]=3 2822 B14R0.1 CCOC(=O)CCCNCC(O)COC 34a_100000756049_100009991533 [0,1,0,0,0,0|2,0,0]=3 2823 B14R0.1 CCOC(=O)CCCOCC(=O)OCC 7a_100012001163_100000188475 [0,1,0,0,0,0|2,0,1]=4 2824 B14R0.1 CCOC(=O)CCCOCC(C)CCN 34a_106354213184_100009991533 [0,1,0,0,0,0|2,0,0]=3 2825 B14R0.1 CCOC(=O)CCCOCC(N)COC 34a_100000724102_100009991533 [0,1,0,0,0,0|2,0,0]=3 2826 B14R0.1 CCOC(=O)CCCOCC(O)COC 7a_100012001163_100011215053 [0,1,0,0,0,0|2,0,0]=3 2827 B14R0.1 CCOC(=O)CCCOC[C@@H](O)CC#N 7a_100012001163_100000001066 [0,1,0,0,0,0|2,0,1]=4 2828 B14R0.1 CCOC(=O)CCCSCC(=O)OCC 62a_100000188475_100009991533 [0,1,0,0,0,0|2,0,1]=4 2829 B14R0.1 CCOC(=O)CCCSCC(=O)OCC 62a_100009991533_100000188475 [0,1,0,0,0,0|2,0,1]=4 2830 B14R0.1 CCOC(=O)CCCSCC(O)COC 62a_100009991533_100011215053 [0,1,0,0,0,0|2,0,0]=3 2831 B14R0.1 CCOC(=O)CCCSCC(O)COC 62a_100011215053_100009991533 [0,1,0,0,0,0|2,0,0]=3 2832 B14R0.1 CCOC(=O)CCCSC[C@@H](O)CC#N 62a_100000001066_100009991533 [0,1,0,0,0,0|2,0,1]=4 2833 B14R0.1 CCOC(=O)CCCSC[C@@H](O)CC#N 62a_100009991533_100000001066 [0,1,0,0,0,0|2,0,1]=4 2834 B14R0.1 CCOC(=O)CCSCCC(=O)OCC 62a_100000765890_100000765890 [0,1,0,0,0,0|2,0,1]=4 2835 B14R0.1 CCOC(=O)COCCCC(=O)CCO 1458a_100011216618_100009893628 [0,1,0,0,0,0|2,0,1]=4 2836 B14R0.1 CCOC(=O)COCCCC(=O)COC 1458a_100000210968_100009893628 [0,1,0,0,0,0|2,0,1]=4 2837 B14R0.1 CCOC(=O)COCCCC(=O)CSC 1458a_100000184570_100009893628 [0,1,0,0,0,0|2,0,1]=4 2838 B14R0.1 CCOC(=O)COCCCN(C)CCO 2230a_100000210263_100009893628 [0,1,0,0,0,0|3,0,0]=4 2839 B14R0.1 CCOC(=O)COCCCN(C)CCO 269982a_100000210263_100009893628 [0,1,0,0,0,0|3,0,0]=4 2840 B14R0.1 CCOC(=O)COCCN[C@H](C)CCO 2230a_100000706166_100000088970 [0,1,0,0,0,0|3,0,0]=4 2841 B14R0.1 CCOC(=O)COCCN[C@H](C)CCO 34a_100000706166_100000088970 [0,1,0,0,0,0|3,0,0]=4 2842 B14R0.1 CCOC(=O)COCCN[C@H](C)COC 2230a_100000764878_100000088970 [0,1,0,0,0,0|3,0,0]=4 2843 B14R0.1 CCOC(=O)COCCOC(C)CCBr 34a_100012276601_100000088970 [0,1,0,0,0,0|3,0,0]=4 2844 B14R0.1 CCOC(=O)COCCO[C@H](C)COC 34a_100011934205_100000088970 [0,1,0,0,0,0|3,0,0]=4 2845 B14R0.1 CCOC(=O)COCCSC(C)CCO 62a_100000088970_100009893172 [0,1,0,0,0,0|3,0,0]=4 2846 B14R0.1 CCOC(=O)COCCSC(C)CCO 62a_100009893172_100000088970 [0,1,0,0,0,0|3,0,0]=4 2847 B14R0.1 CCOC(=O)COCCSC(C)COC 62a_100000088970_100000765312 [0,1,0,0,0,0|3,0,0]=4 2848 B14R0.1 CCOC(=O)COCCSC(C)COC 62a_100000765312_100000088970 [0,1,0,0,0,0|3,0,0]=4 2849 B14R0.1 CCOC(=O)CSCCOC(C)CCO 7a_200000230590_100009893172 [0,1,0,0,0,0|3,0,0]=4 2850 B14R0.1 CCOC(=O)CSCCOC(C)COC 7a_200000230590_100000765312 [0,1,0,0,0,0|3,0,0]=4 2851 B14R0.1 CCOC(=O)NCCOCC(O)COC 34a_100000158857_100011215053 [0,1,0,0,0,0|3,0,0]=4 2852 B14R0.1 CCOC(=O)NCCSCC(O)COC 62a_100011215053_200011445536 [0,1,0,0,0,0|3,0,0]=4 2853 B14R0.32 C#CC(=O)CCCCCCC(=O)OCC 1458a_100000211873_100009814379 [0,1,0,0,0,0|0,0,3]=4 2854 B14R0.32 C#CC(C)NCCCCCC(=O)OCC 2230a_100000707721_100000755133 [0,1,0,0,0,0|1,0,2]=4 2855 B14R0.32 C#CC(C)NCCCCCC(=O)OCC 34a_100000707721_100000755133 [0,1,0,0,0,0|1,0,2]=4 2856 B14R0.32 C#CC(C)SCCCCCC(=O)OCC 62a_200000035995_100000755133 [0,1,0,0,0,0|1,0,2]=4 2857 B14R0.32 C#C[C@@H](C)OCCCCCC(=O)OCC 34a_100009815206_100000755133 [0,1,0,0,0,0|1,0,2]=4 2858 B14R0.32 C#C[C@@H](C)OCCCCCC(=O)OCC 7a_100009815206_100000755133 [0,1,0,0,0,0|1,0,2]=4 2859 B14R0.32 C=CC(=O)CCCCCCC(=O)OCC 1458a_100000185746_100009814379 [0,1,0,0,0,0|0,0,3]=4 2860 B14R0.32 C=CC(C)COCCCCC(=O)OCC 34a_100011215527_100000750268 [0,1,0,0,0,0|1,0,2]=4 2861 B14R0.32 C=CC(C)COCCCCC(=O)OCC 7a_100011215527_100000750268 [0,1,0,0,0,0|1,0,2]=4 2862 B14R0.32 C=CC(C)OCCCCCC(=O)OCC 34a_100000695699_100000755133 [0,1,0,0,0,0|1,0,2]=4 2863 B14R0.32 C=CC(C)SCCCCCC(=O)OCC 62a_100011215867_100000755133 [0,1,0,0,0,0|1,0,2]=4 2864 B14R0.32 C=CC(O)CSCCCCC(=O)OCC 62a_100000730141_100000750268 [0,1,0,0,0,0|1,0,2]=4 2865 B14R0.32 C=CC(O)CSCCCCC(=O)OCC 62a_100000750268_100000730141 [0,1,0,0,0,0|1,0,2]=4 2866 B14R0.32 C=C[C@H](N)COCCCCC(=O)OCC 34a_100016989147_100000750268 [0,1,0,0,0,0|1,0,2]=4 2867 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210303 [0,1,0,0,0,0|2,0,1]=4 2868 B14R0.32 CCCC(=O)CCCCCCC(=O)OC 1458a_100000211992_100009815986 [0,1,0,0,0,0|2,0,1]=4 2869 B14R0.32 CCNC(=O)CCCCCCC(=O)OC 11a_100015525214_100000036694 [0,1,0,0,0,0|2,0,1]=4 2870 B14R0.32 CCNC(=O)CCCCCCC(=O)OC 240690a_100015525214_100000036694 [0,1,0,0,0,0|2,0,1]=4 2871 B14R0.32 CCNC(=O)CCOCCCC(C)CC 7a_100011216074_100000737597 [0,1,0,0,0,0|2,0,0]=3 2872 B14R0.32 CCNC(=O)CCSCCCN(C)CC 62a_100000737597_100015186262 [0,1,0,0,0,0|3,0,0]=4 2873 B14R0.32 CCOC(=O)/C=C/CNCCC(C)CC 2230a_100020591266_100016267167 [0,1,0,0,0,0|1,0,2]=4 2874 B14R0.32 CCOC(=O)/C=C/COCCC(C)CC 7a_100011215188_100016267167 [0,1,0,0,0,0|1,0,2]=4 2875 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000031895_100000210202 [0,1,0,0,0,0|0,0,1]=2 2876 B14R0.32 CCOC(=O)CCCCCCC(=O)CC 1458a_100000210414_100009814379 [0,1,0,0,0,0|0,0,1]=2 2877 B14R0.32 CCOC(=O)CCCCCCC(=O)CF 1458a_100000031895_100015361967 [0,1,0,0,0,0|1,0,1]=3 2878 B14R0.32 CCOC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009814379 [0,1,0,0,0,0|1,0,1]=3 2879 B14R0.32 CCOC(=O)CCCCCCC(=O)NC 11a_106832991635_100000031895 [0,1,0,0,0,0|1,0,1]=3 2880 B14R0.32 CCOC(=O)CCCCCCC(=O)NC 1626a_100102657272_100000031895 [0,1,0,0,0,0|1,0,1]=3 2881 B14R0.32 CCOC(=O)CCCCCCC(=O)NC 240690a_100102657272_100000031895 [0,1,0,0,0,0|1,0,1]=3 2882 B14R0.32 CCOC(=O)CCCCCCC(=O)NC 527a_100102657272_100000031895 [0,1,0,0,0,0|1,0,1]=3 2883 B14R0.32 CCOC(=O)CCCCCCN(C)CC 2230a_100000225621_100009814379 [0,1,0,0,0,0|1,0,0]=2 2884 B14R0.32 CCOC(=O)CCCCCCN(C)CC 269982a_100000225621_100009814379 [0,1,0,0,0,0|1,0,0]=2 2885 B14R0.32 CCOC(=O)CCCCCNC(=O)CC 188690a_100000062434_100000210414 [0,1,0,0,0,0|1,0,1]=3 2886 B14R0.32 CCOC(=O)CCCCCNC(=O)CO 188690a_100000062434_100000210174 [0,1,0,0,0,0|2,0,1]=4 2887 B14R0.32 CCOC(=O)CCCCCNC(C)C#N 2230a_100000737613_100000755133 [0,1,0,0,0,0|2,0,1]=4 2888 B14R0.32 CCOC(=O)CCCCCNC(C)CC 2230a_100000209981_100000755133 [0,1,0,0,0,0|1,0,0]=2 2889 B14R0.32 CCOC(=O)CCCCCN[C@H](C)CO 2230a_100000737577_100000755133 [0,1,0,0,0,0|2,0,0]=3 2890 B14R0.32 CCOC(=O)CCCCCOC(C)C#N 34a_100011218135_100000755133 [0,1,0,0,0,0|2,0,1]=4 2891 B14R0.32 CCOC(=O)CCCCCOC(C)C#N 7a_100011214988_100000703298 [0,1,0,0,0,0|2,0,1]=4 2892 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100000210228_100000755133 [0,1,0,0,0,0|1,0,0]=2 2893 B14R0.32 CCOC(=O)CCCCCOC(C)CC 7a_100011214988_100000758301 [0,1,0,0,0,0|1,0,0]=2 2894 B14R0.32 CCOC(=O)CCCCCOC(C)CF 34a_100016041109_100000755133 [0,1,0,0,0,0|2,0,0]=3 2895 B14R0.32 CCOC(=O)CCCCCOC(C)CF 7a_100016041109_100000755133 [0,1,0,0,0,0|2,0,0]=3 2896 B14R0.32 CCOC(=O)CCCCCOC(C)CN 34a_100000210904_100000755133 [0,1,0,0,0,0|2,0,0]=3 2897 B14R0.32 CCOC(=O)CCCCCOC(C)CO 7a_100011214988_100012180447 [0,1,0,0,0,0|2,0,0]=3 2898 B14R0.32 CCOC(=O)CCCCCSC(C)C#N 62a_100000703298_100000755133 [0,1,0,0,0,0|2,0,1]=4 2899 B14R0.32 CCOC(=O)CCCCCSC(C)C#N 62a_100000755133_100000703298 [0,1,0,0,0,0|2,0,1]=4 2900 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000755133_100000758301 [0,1,0,0,0,0|1,0,0]=2 2901 B14R0.32 CCOC(=O)CCCCCSC(C)CC 62a_100000758301_100000755133 [0,1,0,0,0,0|1,0,0]=2 2902 B14R0.32 CCOC(=O)CCCCCSC(C)CO 62a_100012180447_100000755133 [0,1,0,0,0,0|2,0,0]=3 2903 B14R0.32 CCOC(=O)CCCCCSC(C)OC 62a_100000755133_100009879195 [0,1,0,0,0,0|2,0,0]=3 2904 B14R0.32 CCOC(=O)CCCCCSC(C)OC 62a_100009879195_100000755133 [0,1,0,0,0,0|2,0,0]=3 2905 B14R0.32 CCOC(=O)CCCCCSC(F)C#N 62a_100000755133_200000117898 [0,1,0,0,0,0|2,0,1]=4 2906 B14R0.32 CCOC(=O)CCCCCSC(F)C#N 62a_200000117898_100000755133 [0,1,0,0,0,0|2,0,1]=4 2907 B14R0.32 CCOC(=O)CCCCCS[C@H](C)CO 62a_100000755133_100016084084 [0,1,0,0,0,0|2,0,0]=3 2908 B14R0.32 CCOC(=O)CCCCCS[C@H](C)CO 62a_100016084084_100000755133 [0,1,0,0,0,0|2,0,0]=3 2909 B14R0.32 CCOC(=O)CCCCNCC(=O)NC 2230a_100000693194_100000750268 [0,1,0,0,0,0|2,0,1]=4 2910 B14R0.32 CCOC(=O)CCCCNCC(C)CC 2230a_100020588543_100000750268 [0,1,0,0,0,0|1,0,0]=2 2911 B14R0.32 CCOC(=O)CCCCNCC(C)CO 34a_100000744482_100000750268 [0,1,0,0,0,0|2,0,0]=3 2912 B14R0.32 CCOC(=O)CCCCNCC(O)CC 2230a_100011218483_100000750268 [0,1,0,0,0,0|1,0,0]=2 2913 B14R0.32 CCOC(=O)CCCCNC[C@@H](C)OC 2230a_100020591295_100000750268 [0,1,0,0,0,0|2,0,0]=3 2914 B14R0.32 CCOC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100000750268 [0,1,0,0,0,0|2,0,0]=3 2915 B14R0.32 CCOC(=O)CCCCNC[C@H](O)CO 2230a_100020644852_100000750268 [0,1,0,0,0,0|2,0,0]=3 2916 B14R0.32 CCOC(=O)CCCCOCC(=O)CC 34a_100000725409_100000750268 [0,1,0,0,0,0|1,0,1]=3 2917 B14R0.32 CCOC(=O)CCCCOCC(=O)NC 34a_100000750040_100000750268 [0,1,0,0,0,0|2,0,1]=4 2918 B14R0.32 CCOC(=O)CCCCOCC(C)CN 34a_100000744482_100000750268 [0,1,0,0,0,0|2,0,0]=3 2919 B14R0.32 CCOC(=O)CCCCOCC(C)OC 34a_100000690652_100000750268 [0,1,0,0,0,0|2,0,0]=3 2920 B14R0.32 CCOC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100000750268 [0,1,0,0,0,0|2,0,0]=3 2921 B14R0.32 CCOC(=O)CCCCOC[C@@H](C)CC 7a_100009816381_100000750268 [0,1,0,0,0,0|1,0,0]=2 2922 B14R0.32 CCOC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100000750268 [0,1,0,0,0,0|2,0,0]=3 2923 B14R0.32 CCOC(=O)CCCCSCC(=O)CC 62a_100000747405_100000750268 [0,1,0,0,0,0|1,0,1]=3 2924 B14R0.32 CCOC(=O)CCCCSCC(=O)CC 62a_100000750268_100000747405 [0,1,0,0,0,0|1,0,1]=3 2925 B14R0.32 CCOC(=O)CCCCSCC(=O)NC 62a_100000183359_100000750268 [0,1,0,0,0,0|2,0,1]=4 2926 B14R0.32 CCOC(=O)CCCCSCC(=O)NC 62a_100000750268_100000183359 [0,1,0,0,0,0|2,0,1]=4 2927 B14R0.32 CCOC(=O)CCCCSCC(=O)OC 62a_100000747449_100000750268 [0,1,0,0,0,0|2,0,1]=4 2928 B14R0.32 CCOC(=O)CCCCSCC(=O)OC 62a_100000750268_100000747449 [0,1,0,0,0,0|2,0,1]=4 2929 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000748023_100000750268 [0,1,0,0,0,0|1,0,0]=2 2930 B14R0.32 CCOC(=O)CCCCSCC(C)CC 62a_100000750268_100000748023 [0,1,0,0,0,0|1,0,0]=2 2931 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100000750268_100011218378 [0,1,0,0,0,0|1,0,0]=2 2932 B14R0.32 CCOC(=O)CCCCSCC(O)CC 62a_100011218378_100000750268 [0,1,0,0,0,0|1,0,0]=2 2933 B14R0.32 CCOC(=O)CCCCSCC(O)CO 62a_100000750268_100011219619 [0,1,0,0,0,0|2,0,0]=3 2934 B14R0.32 CCOC(=O)CCCCSCC(O)CO 62a_100011219619_100000750268 [0,1,0,0,0,0|2,0,0]=3 2935 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100000750268_100009816398 [0,1,0,0,0,0|1,0,0]=2 2936 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CC 62a_100009816398_100000750268 [0,1,0,0,0,0|1,0,0]=2 2937 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000750268 [0,1,0,0,0,0|2,0,0]=3 2938 B14R0.32 CCOC(=O)CCCCSC[C@@H](C)CO 62a_100000750268_100000059175 [0,1,0,0,0,0|2,0,0]=3 2939 B14R0.32 CCOC(=O)CCCCSC[C@@H](O)CF 62a_100000750268_100015614560 [0,1,0,0,0,0|2,0,0]=3 2940 B14R0.32 CCOC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000750268 [0,1,0,0,0,0|2,0,0]=3 2941 B14R0.32 CCOC(=O)CCCCSC[C@@H](O)CO 62a_100000750268_100009815848 [0,1,0,0,0,0|2,0,0]=3 2942 B14R0.32 CCOC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000750268 [0,1,0,0,0,0|2,0,0]=3 2943 B14R0.32 CCOC(=O)CCCNCCC(=O)NC 2230a_100000738227_100009991533 [0,1,0,0,0,0|2,0,1]=4 2944 B14R0.32 CCOC(=O)CCCNCCC(=O)NC 34a_100000738227_100009991533 [0,1,0,0,0,0|2,0,1]=4 2945 B14R0.32 CCOC(=O)CCCNCCC(C)CC 2230a_100020591266_100009991533 [0,1,0,0,0,0|1,0,0]=2 2946 B14R0.32 CCOC(=O)CCCNCCC(C)CO 2230a_106354213184_100009991533 [0,1,0,0,0,0|2,0,0]=3 2947 B14R0.32 CCOC(=O)CCCNCCC(C)CO 34a_106354213184_100009991533 [0,1,0,0,0,0|2,0,0]=3 2948 B14R0.32 CCOC(=O)CCCOCCC(=O)NC 34a_100000754576_100009991533 [0,1,0,0,0,0|2,0,1]=4 2949 B14R0.32 CCOC(=O)CCCOCCC(=O)NC 7a_100012001163_100000737683 [0,1,0,0,0,0|2,0,1]=4 2950 B14R0.32 CCOC(=O)CCCOCCC(=O)OC 7a_100012001163_100000204255 [0,1,0,0,0,0|2,0,1]=4 2951 B14R0.32 CCOC(=O)CCCOCCC(C)CC 7a_100011215188_100011215271 [0,1,0,0,0,0|1,0,0]=2 2952 B14R0.32 CCOC(=O)CCCOCCC(C)OC 7a_100000764861_100011215271 [0,1,0,0,0,0|2,0,0]=3 2953 B14R0.32 CCOC(=O)CCCSCCC(=O)NC 62a_100000737683_100009991533 [0,1,0,0,0,0|2,0,1]=4 2954 B14R0.32 CCOC(=O)CCCSCCC(=O)NC 62a_100009991533_100000737683 [0,1,0,0,0,0|2,0,1]=4 2955 B14R0.32 CCOC(=O)CCCSCCC(=O)OC 62a_100000204255_100009991533 [0,1,0,0,0,0|2,0,1]=4 2956 B14R0.32 CCOC(=O)CCCSCCC(=O)OC 62a_100009991533_100000204255 [0,1,0,0,0,0|2,0,1]=4 2957 B14R0.32 CCOC(=O)CCNCCCC(=O)NC 2230a_100000740002_100011206558 [0,1,0,0,0,0|2,0,1]=4 2958 B14R0.32 CCOC(=O)CCNCCCC(=O)NC 34a_100000740002_100000765890 [0,1,0,0,0,0|2,0,1]=4 2959 B14R0.32 CCOC(=O)CCNCCNC(=O)CC 34a_100132302217_100000765890 [0,1,0,0,0,0|2,0,1]=4 2960 B14R0.32 CCOC(=O)CCOCCCC(C)CC 7a_100011216074_100011206558 [0,1,0,0,0,0|1,0,0]=2 2961 B14R0.32 CCOC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100000765890 [0,1,0,0,0,0|2,0,0]=3 2962 B14R0.32 CCOC(=O)CCOCCNC(=O)CC 34a_200000158885_100000765890 [0,1,0,0,0,0|2,0,1]=4 2963 B14R0.32 CCOC(=O)CCOCCNC(=O)CC 7a_200000158885_100011206558 [0,1,0,0,0,0|2,0,1]=4 2964 B14R0.32 CCOC(=O)CCOCCOC(=O)CC 7a_200000031056_100011206558 [0,1,0,0,0,0|2,0,1]=4 2965 B14R0.32 CCOC(=O)CCSCCCC(=O)NC 62a_100000741757_100000765890 [0,1,0,0,0,0|2,0,1]=4 2966 B14R0.32 CCOC(=O)CCSCCCC(=O)NC 62a_100000765890_100000741757 [0,1,0,0,0,0|2,0,1]=4 2967 B14R0.32 CCOC(=O)CCSCCCC(=O)OC 62a_100000765890_100011218270 [0,1,0,0,0,0|2,0,1]=4 2968 B14R0.32 CCOC(=O)CCSCCCC(=O)OC 62a_100011218270_100000765890 [0,1,0,0,0,0|2,0,1]=4 2969 B14R0.32 CCOC(=O)CCSCCCN(C)CC 62a_100000765890_100015186262 [0,1,0,0,0,0|2,0,0]=3 2970 B14R0.32 CCOC(=O)COCCCCC(=O)OC 34a_100000059025_100000188475 [0,1,0,0,0,0|2,0,1]=4 2971 B14R0.32 CCOC(=O)COCCCCC(=O)OC 7a_100000059025_100000188475 [0,1,0,0,0,0|2,0,1]=4 2972 B14R0.32 CCOC(=O)COCCCNC(C)CC 2230a_100000209981_100009893628 [0,1,0,0,0,0|2,0,0]=3 2973 B14R0.32 CCOC(=O)COCCCN[C@H](C)CO 2230a_100000737577_100009893628 [0,1,0,0,0,0|3,0,0]=4 2974 B14R0.32 CCOC(=O)COCCCOC(C)CC 7a_100000210228_100009893628 [0,1,0,0,0,0|2,0,0]=3 2975 B14R0.32 CCOC(=O)COCCCOC(C)CF 34a_100016041109_100009893628 [0,1,0,0,0,0|3,0,0]=4 2976 B14R0.32 CCOC(=O)COCCCOC(C)CF 7a_100016041109_100009893628 [0,1,0,0,0,0|3,0,0]=4 2977 B14R0.32 CCOC(=O)COCCCOC(C)CN 34a_100000210904_100009893628 [0,1,0,0,0,0|3,0,0]=4 2978 B14R0.32 CCOC(=O)COCCCSC(C)CC 62a_100000758301_100009893628 [0,1,0,0,0,0|2,0,0]=3 2979 B14R0.32 CCOC(=O)COCCCSC(C)CC 62a_100009893628_100000758301 [0,1,0,0,0,0|2,0,0]=3 2980 B14R0.32 CCOC(=O)COCCCSC(C)CO 62a_100012180447_100009893628 [0,1,0,0,0,0|3,0,0]=4 2981 B14R0.32 CCOC(=O)COCCCSC(C)OC 62a_100009879195_100009893628 [0,1,0,0,0,0|3,0,0]=4 2982 B14R0.32 CCOC(=O)COCCCSC(C)OC 62a_100009893628_100009879195 [0,1,0,0,0,0|3,0,0]=4 2983 B14R0.32 CCOC(=O)COCCCS[C@H](C)CO 62a_100009893628_100016084084 [0,1,0,0,0,0|3,0,0]=4 2984 B14R0.32 CCOC(=O)COCCCS[C@H](C)CO 62a_100016084084_100009893628 [0,1,0,0,0,0|3,0,0]=4 2985 B14R0.32 CCOC(=O)COCCNCC(C)CC 2230a_100020588543_100000088970 [0,1,0,0,0,0|2,0,0]=3 2986 B14R0.32 CCOC(=O)COCCNCC(C)CO 34a_100000744482_100000088970 [0,1,0,0,0,0|3,0,0]=4 2987 B14R0.32 CCOC(=O)COCCNCC(O)CC 2230a_100011218483_100000088970 [0,1,0,0,0,0|2,0,0]=3 2988 B14R0.32 CCOC(=O)COCCNC[C@@H](C)OC 2230a_100020591295_100000088970 [0,1,0,0,0,0|3,0,0]=4 2989 B14R0.32 CCOC(=O)COCCNC[C@@H](F)CO 34a_100015665980_100000088970 [0,1,0,0,0,0|3,0,0]=4 2990 B14R0.32 CCOC(=O)COCCNC[C@H](O)CO 2230a_100020644852_100000088970 [0,1,0,0,0,0|3,0,0]=4 2991 B14R0.32 CCOC(=O)COCCOCC(=O)CC 34a_100000725409_100000088970 [0,1,0,0,0,0|2,0,1]=4 2992 B14R0.32 CCOC(=O)COCCOCC(C)CN 34a_100000744482_100000088970 [0,1,0,0,0,0|3,0,0]=4 2993 B14R0.32 CCOC(=O)COCCOCC(C)OC 34a_100000690652_100000088970 [0,1,0,0,0,0|3,0,0]=4 2994 B14R0.32 CCOC(=O)COCCOCC(Cl)CCl 34a_100000033668_100000088970 [0,1,0,0,0,0|3,0,0]=4 2995 B14R0.32 CCOC(=O)COCCOC[C@@H](C)CC 7a_100009816381_100000088970 [0,1,0,0,0,0|2,0,0]=3 2996 B14R0.32 CCOC(=O)COCCOC[C@H](F)CN 34a_100015665980_100000088970 [0,1,0,0,0,0|3,0,0]=4 2997 B14R0.32 CCOC(=O)COCCSCC(=O)CC 62a_100000088970_100000747405 [0,1,0,0,0,0|2,0,1]=4 2998 B14R0.32 CCOC(=O)COCCSCC(=O)CC 62a_100000747405_100000088970 [0,1,0,0,0,0|2,0,1]=4 2999 B14R0.32 CCOC(=O)COCCSCC(C)CC 62a_100000088970_100000748023 [0,1,0,0,0,0|2,0,0]=3 3000 B14R0.32 CCOC(=O)COCCSCC(C)CC 62a_100000748023_100000088970 [0,1,0,0,0,0|2,0,0]=3 3001 B14R0.32 CCOC(=O)COCCSCC(O)CC 62a_100000088970_100011218378 [0,1,0,0,0,0|2,0,0]=3 3002 B14R0.32 CCOC(=O)COCCSCC(O)CC 62a_100011218378_100000088970 [0,1,0,0,0,0|2,0,0]=3 3003 B14R0.32 CCOC(=O)COCCSCC(O)CO 62a_100000088970_100011219619 [0,1,0,0,0,0|3,0,0]=4 3004 B14R0.32 CCOC(=O)COCCSCC(O)CO 62a_100011219619_100000088970 [0,1,0,0,0,0|3,0,0]=4 3005 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CC 62a_100000088970_100009816398 [0,1,0,0,0,0|2,0,0]=3 3006 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CC 62a_100009816398_100000088970 [0,1,0,0,0,0|2,0,0]=3 3007 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CO 62a_100000059175_100000088970 [0,1,0,0,0,0|3,0,0]=4 3008 B14R0.32 CCOC(=O)COCCSC[C@@H](C)CO 62a_100000088970_100000059175 [0,1,0,0,0,0|3,0,0]=4 3009 B14R0.32 CCOC(=O)COCCSC[C@@H](O)CF 62a_100000088970_100015614560 [0,1,0,0,0,0|3,0,0]=4 3010 B14R0.32 CCOC(=O)COCCSC[C@@H](O)CF 62a_100015614560_100000088970 [0,1,0,0,0,0|3,0,0]=4 3011 B14R0.32 CCOC(=O)COCCSC[C@@H](O)CO 62a_100000088970_100009815848 [0,1,0,0,0,0|3,0,0]=4 3012 B14R0.32 CCOC(=O)COCCSC[C@@H](O)CO 62a_100009815848_100000088970 [0,1,0,0,0,0|3,0,0]=4 3013 B14R0.32 CCOC(=O)CSCCCCC(=O)OC 62a_100000188475_100000204269 [0,1,0,0,0,0|2,0,1]=4 3014 B14R0.32 CCOC(=O)CSCCCCC(=O)OC 62a_100000204269_100000188475 [0,1,0,0,0,0|2,0,1]=4 3015 B14R0.32 CCOC(=O)CSCCOCC(=O)CC 7a_200000230590_100000747405 [0,1,0,0,0,0|2,0,1]=4 3016 B14R0.32 CCOC(=O)CSCCOCC(C)CC 7a_200000230590_100000748023 [0,1,0,0,0,0|2,0,0]=3 3017 B14R0.32 CCOC(=O)CSCCOCC(O)CC 7a_200000230590_100011218378 [0,1,0,0,0,0|2,0,0]=3 3018 B14R0.32 CCOC(=O)CSCCOCC(O)CO 7a_200000230590_100011219619 [0,1,0,0,0,0|3,0,0]=4 3019 B14R0.32 CCOC(=O)CSCCOC[C@@H](C)CC 7a_200000230590_100009816398 [0,1,0,0,0,0|2,0,0]=3 3020 B14R0.32 CCOC(=O)CSCCOC[C@@H](C)CO 7a_200000230590_100000059175 [0,1,0,0,0,0|3,0,0]=4 3021 B14R0.32 CCOC(=O)CSCCOC[C@@H](O)CF 7a_200000230590_100015614560 [0,1,0,0,0,0|3,0,0]=4 3022 B14R0.32 CCOC(=O)CSCCOC[C@@H](O)CO 7a_200000230590_100009815848 [0,1,0,0,0,0|3,0,0]=4 3023 B14R0.32 CCOC(=O)NCCOCCC(C)CC 7a_100011215188_200011445536 [0,1,0,0,0,0|2,0,0]=3 3024 B14R0.32 CCOC(=O)NCCOCCC(C)OC 7a_100000764861_200011445536 [0,1,0,0,0,0|3,0,0]=4 3025 B14R0.73 C#CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000184674 [0,1,0,0,0,0|1,0,2]=4 3026 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100012094781 [0,1,0,0,0,0|0,0,3]=4 3027 B14R0.73 C#CCCCCCC(=O)CC(=O)OCC 1458a_100000694772_100000188475 [0,1,0,0,0,0|0,0,3]=4 3028 B14R0.73 C#CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100012094781 [0,1,0,0,0,0|1,0,2]=4 3029 B14R0.73 C#CCCCCNC(C)CC(=O)OCC 2230a_100000706060_100009817359 [0,1,0,0,0,0|1,0,2]=4 3030 B14R0.73 C#CCCCCOC(C)CC(=O)OCC 7a_100000766709_100009817359 [0,1,0,0,0,0|1,0,2]=4 3031 B14R0.73 C#CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100010269958 [0,1,0,0,0,0|1,0,2]=4 3032 B14R0.73 C#CCCCCSC(C)CC(=O)OCC 62a_100009817359_100010269958 [0,1,0,0,0,0|1,0,2]=4 3033 B14R0.73 C#CCCCCSC(C)CC(=O)OCC 62a_100010269958_100009817359 [0,1,0,0,0,0|1,0,2]=4 3034 B14R0.73 C#CCCCNC[C@@H](O)CC(=O)OCC 34a_100000718082_100000688340 [0,1,0,0,0,0|1,0,2]=4 3035 B14R0.73 C#CCCCOC[C@@H](O)CC(=O)OCC 34a_100000215630_100000688340 [0,1,0,0,0,0|1,0,2]=4 3036 B14R0.73 C#CCCCOC[C@@H](O)CC(=O)OCC 7a_100000215630_100000688340 [0,1,0,0,0,0|1,0,2]=4 3037 B14R0.73 C#CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215417 [0,1,0,0,0,0|1,0,2]=4 3038 B14R0.73 C#CCCCSC[C@@H](O)CC(=O)OCC 62a_100011215417_100000688340 [0,1,0,0,0,0|1,0,2]=4 3039 B14R0.73 C/C=C/CCOC[C@@H](O)CC(=O)OCC 34a_100016278192_100000688340 [0,1,0,0,0,0|1,0,2]=4 3040 B14R0.73 C=C(CCC)CC(=O)CCCCCCC 1458a_100000138376_100000210614 [0,1,0,0,0,0|2,0,1]=4 3041 B14R0.73 C=CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000210623 [0,1,0,0,0,0|1,0,2]=4 3042 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000700193 [0,1,0,0,0,0|0,0,3]=4 3043 B14R0.73 C=CCCCCCC(=O)CC(=O)OCC 1458a_100011934241_100000188475 [0,1,0,0,0,0|0,0,3]=4 3044 B14R0.73 C=CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000700193 [0,1,0,0,0,0|1,0,2]=4 3045 B14R0.73 C=CCCCCNC(C)CC(=O)OCC 2230a_100000703577_100009817359 [0,1,0,0,0,0|1,0,2]=4 3046 B14R0.73 C=CCCCCOC(C)CC(=O)OCC 7a_100000766645_100009817359 [0,1,0,0,0,0|1,0,2]=4 3047 B14R0.73 C=CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215482 [0,1,0,0,0,0|1,0,2]=4 3048 B14R0.73 C=CCCCCSC(C)CC(=O)OCC 62a_100009817359_100011215482 [0,1,0,0,0,0|1,0,2]=4 3049 B14R0.73 C=CCCCCSC(C)CC(=O)OCC 62a_100011215482_100009817359 [0,1,0,0,0,0|1,0,2]=4 3050 B14R0.73 C=CCCCNC[C@@H](O)CC(=O)OCC 34a_100000700776_100000688340 [0,1,0,0,0,0|1,0,2]=4 3051 B14R0.73 C=CCCCOC[C@@H](O)CC(=O)OCC 34a_100000758997_100000688340 [0,1,0,0,0,0|1,0,2]=4 3052 B14R0.73 C=CCCCOC[C@@H](O)CC(=O)OCC 7a_100000758997_100000688340 [0,1,0,0,0,0|1,0,2]=4 3053 B14R0.73 C=CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000757094 [0,1,0,0,0,0|1,0,2]=4 3054 B14R0.73 C=CCCCSC[C@@H](O)CC(=O)OCC 62a_100011713584_100000688340 [0,1,0,0,0,0|1,0,2]=4 3055 B14R0.73 C=COC(=O)CC(=O)CCCCCCC 1458a_100000211969_100000036128 [0,1,0,0,0,0|0,0,3]=4 3056 B14R0.73 C=COC(=O)CN(C)CCCCCCC 2230a_100000228206_100000036128 [0,1,0,0,0,0|1,0,2]=4 3057 B14R0.73 C=COC(=O)CN(C)CCCCCCC 269982a_100000228206_100000036128 [0,1,0,0,0,0|1,0,2]=4 3058 B14R0.73 CC#CCCOC[C@@H](O)CC(=O)OCC 34a_100000750427_100000688340 [0,1,0,0,0,0|1,0,2]=4 3059 B14R0.73 CC/C=C\CCOC(C)CC(=O)OCC 7a_100016288707_100009817359 [0,1,0,0,0,0|1,0,2]=4 3060 B14R0.73 CC/C=C\CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015370543 [0,1,0,0,0,0|1,0,2]=4 3061 B14R0.73 CC/C=C\CCSC(C)CC(=O)OCC 62a_100009817359_100015370543 [0,1,0,0,0,0|1,0,2]=4 3062 B14R0.73 CC/C=C\CCSC(C)CC(=O)OCC 62a_100015370543_100009817359 [0,1,0,0,0,0|1,0,2]=4 3063 B14R0.73 CC/C=C\COC[C@@H](O)CC(=O)OCC 34a_100016268518_100000688340 [0,1,0,0,0,0|1,0,2]=4 3064 B14R0.73 CC/C=C\CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100103147603 [0,1,0,0,0,0|1,0,2]=4 3065 B14R0.73 CC/C=C\CSC[C@@H](O)CC(=O)OCC 62a_100103147603_100000688340 [0,1,0,0,0,0|1,0,2]=4 3066 B14R0.73 CCC#CCCOC(C)CC(=O)OCC 7a_100000036655_100009817359 [0,1,0,0,0,0|1,0,2]=4 3067 B14R0.73 CCC#CCOC[C@@H](O)CC(=O)OCC 34a_100000032950_100000688340 [0,1,0,0,0,0|1,0,2]=4 3068 B14R0.73 CCC#CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100009813939 [0,1,0,0,0,0|1,0,2]=4 3069 B14R0.73 CCC#CCSC[C@@H](O)CC(=O)OCC 62a_100009813939_100000688340 [0,1,0,0,0,0|1,0,2]=4 3070 B14R0.73 CCC/C=C/COC(C)CC(=O)OCC 7a_100016278788_100009817359 [0,1,0,0,0,0|1,0,2]=4 3071 B14R0.73 CCCC#CCOC(C)CC(=O)OCC 7a_100000034806_100009817359 [0,1,0,0,0,0|1,0,2]=4 3072 B14R0.73 CCCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747444 [0,1,0,0,0,0|2,0,1]=4 3073 B14R0.73 CCCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747444 [0,1,0,0,0,0|2,0,1]=4 3074 B14R0.73 CCCC/C=C/CC(=O)CC(=O)OCC 1458a_200016282684_100000188475 [0,1,0,0,0,0|0,0,3]=4 3075 B14R0.73 CCCCCC#CC(=O)CC(=O)OCC 1458a_100011215388_100000188475 [0,1,0,0,0,0|0,0,3]=4 3076 B14R0.73 CCCCCC=CC(=O)CC(=O)OCC 1458a_100016263427_100000188475 [0,1,0,0,0,0|0,0,3]=4 3077 B14R0.73 CCCCCCCC(=O)CC(=O)CCC 1458a_100000211969_100000747444 [0,1,0,0,0,0|1,0,1]=3 3078 B14R0.73 CCCCCCCC(=O)CC(=O)NCC 1458a_100000211969_100000183381 [0,1,0,0,0,0|1,0,1]=3 3079 B14R0.73 CCCCCCCC(=O)CC(=O)NCO 1458a_100000211969_100000185155 [0,1,0,0,0,0|2,0,1]=4 3080 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000211969_100000188475 [0,1,0,0,0,0|0,0,1]=2 3081 B14R0.73 CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210614 [0,1,0,0,0,0|0,0,1]=2 3082 B14R0.73 CCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210614 [0,1,0,0,0,0|2,0,1]=4 3083 B14R0.73 CCCCCCCC(O)CC(=O)CC#N 1458a_200011667753_100011214920 [0,1,0,0,0,0|2,0,1]=4 3084 B14R0.73 CCCCCCCC(O)CC(=O)CCC 1458a_200011667753_100000210303 [0,1,0,0,0,0|1,0,0]=2 3085 B14R0.73 CCCCCCCC(O)CC(=O)CCF 1458a_200011667753_100011217306 [0,1,0,0,0,0|2,0,0]=3 3086 B14R0.73 CCCCCCCC(O)CC(=O)CCO 1458a_200011667753_100000211926 [0,1,0,0,0,0|2,0,0]=3 3087 B14R0.73 CCCCCCCC(O)CC(=O)NCC 240690a_100015525214_200011667753 [0,1,0,0,0,0|1,0,0]=2 3088 B14R0.73 CCCCCCCC(O)CC(=O)NNC 22a_100016993582_200011667753 [0,1,0,0,0,0|2,0,0]=3 3089 B14R0.73 CCCCCCCN(C)CC(=O)CCC 2230a_100000228206_100000747444 [0,1,0,0,0,0|2,0,0]=3 3090 B14R0.73 CCCCCCCN(C)CC(=O)CCC 269982a_100000228206_100000747444 [0,1,0,0,0,0|2,0,0]=3 3091 B14R0.73 CCCCCCCN(C)CC(=O)NCC 2230a_100000228206_100000183381 [0,1,0,0,0,0|2,0,0]=3 3092 B14R0.73 CCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210681 [0,1,0,0,0,0|2,0,0]=3 3093 B14R0.73 CCCCCCCN(C)CC(=O)NCC 269982a_100000228206_100000183381 [0,1,0,0,0,0|2,0,0]=3 3094 B14R0.73 CCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210681 [0,1,0,0,0,0|2,0,0]=3 3095 B14R0.73 CCCCCCCN(C)CC(=O)NCO 2230a_100000228206_100000185155 [0,1,0,0,0,0|3,0,0]=4 3096 B14R0.73 CCCCCCCN(C)CC(=O)NCO 269982a_100000228206_100000185155 [0,1,0,0,0,0|3,0,0]=4 3097 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210681 [0,1,0,0,0,0|1,0,0]=2 3098 B14R0.73 CCCCCCCN(C)CC(=O)OCC 2230a_100000228206_100000188475 [0,1,0,0,0,0|1,0,0]=2 3099 B14R0.73 CCCCCCCN(C)CC(=O)OCC 269982a_100000228206_100000188475 [0,1,0,0,0,0|1,0,0]=2 3100 B14R0.73 CCCCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000230325 [0,1,0,0,0,0|2,0,1]=4 3101 B14R0.73 CCCCCCNC(=O)CC(=O)OCC 240690a_100000210581_100000243816 [0,1,0,0,0,0|1,0,1]=3 3102 B14R0.73 CCCCCCNC(C)CC(=O)OCC 2230a_100000210581_100009817359 [0,1,0,0,0,0|1,0,0]=2 3103 B14R0.73 CCCCCCOC(C)CC(=O)OCC 7a_100000210259_100009817359 [0,1,0,0,0,0|1,0,0]=2 3104 B14R0.73 CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210314 [0,1,0,0,0,0|1,0,0]=2 3105 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100000210314_100009817359 [0,1,0,0,0,0|1,0,0]=2 3106 B14R0.73 CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210757 [0,1,0,0,0,0|1,0,0]=2 3107 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210757 [0,1,0,0,0,0|2,0,0]=3 3108 B14R0.73 CCCCCCSC(C)OC(=O)OCC 62a_100000210314_100000036008 [0,1,0,0,0,0|2,0,0]=3 3109 B14R0.73 CCCCCNCC(=CC(=O)OCC)C 2230a_100000209983_100135422193 [0,1,0,0,0,0|1,0,2]=4 3110 B14R0.73 CCCCCNNC(=O)CC(=O)OCC 22a_100000694160_100000243816 [0,1,0,0,0,0|2,0,1]=4 3111 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 34a_100000210253_100135422193 [0,1,0,0,0,0|1,0,2]=4 3112 B14R0.73 CCCCCOCC(=CC(=O)OCC)C 7a_100000210253_100135422193 [0,1,0,0,0,0|1,0,2]=4 3113 B14R0.73 CCCCCOCC(=O)NC(=O)OCC 7a_100000210253_100000010344 [0,1,0,0,0,0|2,0,1]=4 3114 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210253_100000688340 [0,1,0,0,0,0|1,0,0]=2 3115 B14R0.73 CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210253_100000688340 [0,1,0,0,0,0|1,0,0]=2 3116 B14R0.73 CCCCCSCC(=CC(=O)OCC)C 62a_100000210326_100135422193 [0,1,0,0,0,0|1,0,2]=4 3117 B14R0.73 CCCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210326 [0,1,0,0,0,0|1,0,2]=4 3118 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210326 [0,1,0,0,0,0|1,0,1]=3 3119 B14R0.73 CCCCCSCC(=O)CC(=O)OCC 62a_100000210326_100000210311 [0,1,0,0,0,0|1,0,1]=3 3120 B14R0.73 CCCCCSCC(=O)NC(=O)OCC 62a_100000210326_100000010344 [0,1,0,0,0,0|2,0,1]=4 3121 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210326_100000688340 [0,1,0,0,0,0|1,0,0]=2 3122 B14R0.73 CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210326 [0,1,0,0,0,0|1,0,0]=2 3123 B14R0.73 CCCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100000743108 [0,1,0,0,0,0|1,0,1]=3 3124 B14R0.73 CCCCOCCN(C)CC(=O)NCC 2230a_100000741943_100000743108 [0,1,0,0,0,0|3,0,0]=4 3125 B14R0.73 CCCCOCCN(C)CC(=O)NCC 269982a_100000741943_100000743108 [0,1,0,0,0,0|3,0,0]=4 3126 B14R0.73 CCCCOCCN(C)CC(=O)OCC 2230a_100000220588_100000743108 [0,1,0,0,0,0|2,0,0]=3 3127 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100009817359_100011995733 [0,1,0,0,0,0|2,0,0]=3 3128 B14R0.73 CCCCOCSC(C)CC(=O)OCC 62a_100011995733_100009817359 [0,1,0,0,0,0|2,0,0]=3 3129 B14R0.73 CCCCOCSC(C)OC(=O)OCC 62a_100000036008_100011995733 [0,1,0,0,0,0|3,0,0]=4 3130 B14R0.73 CCCCOCSC(C)OC(=O)OCC 62a_100011995733_100000036008 [0,1,0,0,0,0|3,0,0]=4 3131 B14R0.73 CCCOCCNC(=O)CC(=O)OCC 240690a_100161115042_100000243816 [0,1,0,0,0,0|2,0,1]=4 3132 B14R0.73 CCCOCCNC(C)CC(=O)OCC 2230a_100161115042_100009817359 [0,1,0,0,0,0|2,0,0]=3 3133 B14R0.73 CCCOCCOC(C)CC(=O)OCC 7a_100000752267_100009817359 [0,1,0,0,0,0|2,0,0]=3 3134 B14R0.73 CCCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215938 [0,1,0,0,0,0|2,0,0]=3 3135 B14R0.73 CCCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215938 [0,1,0,0,0,0|2,0,0]=3 3136 B14R0.73 CCCOCCSC(C)CC(=O)OCC 62a_100011215938_100009817359 [0,1,0,0,0,0|2,0,0]=3 3137 B14R0.73 CCCOCCSC(C)OC(=O)OCC 62a_100000036008_100011215938 [0,1,0,0,0,0|3,0,0]=4 3138 B14R0.73 CCCOCCSC(C)OC(=O)OCC 62a_100011215938_100000036008 [0,1,0,0,0,0|3,0,0]=4 3139 B14R0.73 CCCSCCNC(=O)CC(=O)OCC 240690a_100020603323_100000243816 [0,1,0,0,0,0|2,0,1]=4 3140 B14R0.73 CCCSCCNC(C)CC(=O)OCC 2230a_100020603323_100009817359 [0,1,0,0,0,0|2,0,0]=3 3141 B14R0.73 CCCSCCOC(C)CC(=O)OCC 7a_200000230433_100009817359 [0,1,0,0,0,0|2,0,0]=3 3142 B14R0.73 CCNC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000183381 [0,1,0,0,0,0|2,0,1]=4 3143 B14R0.73 CCNC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000183381 [0,1,0,0,0,0|2,0,1]=4 3144 B14R0.73 CCNC(=O)CN(C)CCCCCCF 2230a_100000741943_100015922095 [0,1,0,0,0,0|3,0,0]=4 3145 B14R0.73 CCNC(=O)CN(C)CCCCCCF 269982a_100000741943_100015922095 [0,1,0,0,0,0|3,0,0]=4 3146 B14R0.73 CCNC(=O)CN(C)CCCCCCO 2230a_100000741943_100000766143 [0,1,0,0,0,0|3,0,0]=4 3147 B14R0.73 CCNC(=O)CN(C)CCCCCCO 269982a_100000741943_100000766143 [0,1,0,0,0,0|3,0,0]=4 3148 B14R0.73 CCOC(=O)CC(=O)CCCCCC#N 1458a_100000243816_100009813376 [0,1,0,0,0,0|1,0,2]=4 3149 B14R0.73 CCOC(=O)CC(=O)CCCCCCF 1458a_100000243816_100015922095 [0,1,0,0,0,0|1,0,1]=3 3150 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100000243816_100000766143 [0,1,0,0,0,0|1,0,1]=3 3151 B14R0.73 CCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000188475 [0,1,0,0,0,0|1,0,1]=3 3152 B14R0.73 CCOC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000188475 [0,1,0,0,0,0|1,0,1]=3 3153 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000243816_100000695917 [0,1,0,0,0,0|2,0,1]=4 3154 B14R0.73 CCOC(=O)CC(=O)CCOCCOC 1458a_100000745395_100000188475 [0,1,0,0,0,0|2,0,1]=4 3155 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000210311_100000729493 [0,1,0,0,0,0|2,0,1]=4 3156 B14R0.73 CCOC(=O)CC(=O)CSCCCCF 62a_100000729493_100000210311 [0,1,0,0,0,0|2,0,1]=4 3157 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210311_100000210776 [0,1,0,0,0,0|2,0,1]=4 3158 B14R0.73 CCOC(=O)CC(=O)CSCCCCO 62a_100000210776_100000210311 [0,1,0,0,0,0|2,0,1]=4 3159 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000210311_100000709357 [0,1,0,0,0,0|2,0,1]=4 3160 B14R0.73 CCOC(=O)CC(=O)CSCCCOC 62a_100000709357_100000210311 [0,1,0,0,0,0|2,0,1]=4 3161 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000210311_100000757381 [0,1,0,0,0,0|2,0,1]=4 3162 B14R0.73 CCOC(=O)CC(=O)CSCCSCC 62a_100000757381_100000210311 [0,1,0,0,0,0|2,0,1]=4 3163 B14R0.73 CCOC(=O)CC(=O)NCCCCCO 240690a_100000762737_100000243816 [0,1,0,0,0,0|2,0,1]=4 3164 B14R0.73 CCOC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817359 [0,1,0,0,0,0|2,0,0]=3 3165 B14R0.73 CCOC(=O)CC(C)NCCOCCO 2230a_100000211614_100009817359 [0,1,0,0,0,0|3,0,0]=4 3166 B14R0.73 CCOC(=O)CC(C)NCCSCCO 2230a_100011219999_100009817359 [0,1,0,0,0,0|3,0,0]=4 3167 B14R0.73 CCOC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817359 [0,1,0,0,0,0|2,0,0]=3 3168 B14R0.73 CCOC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817359 [0,1,0,0,0,0|2,0,0]=3 3169 B14R0.73 CCOC(=O)CC(C)OCCCCCI 7a_200012148887_100009817359 [0,1,0,0,0,0|2,0,0]=3 3170 B14R0.73 CCOC(=O)CC(C)OCCCCSC 7a_100011217163_100009817359 [0,1,0,0,0,0|2,0,0]=3 3171 B14R0.73 CCOC(=O)CC(C)OCCCSCC 7a_100011216438_100009817359 [0,1,0,0,0,0|2,0,0]=3 3172 B14R0.73 CCOC(=O)CC(C)OCCOCCBr 7a_100000692535_100009817359 [0,1,0,0,0,0|3,0,0]=4 3173 B14R0.73 CCOC(=O)CC(C)OCCOCCCl 7a_100011215305_100009817359 [0,1,0,0,0,0|3,0,0]=4 3174 B14R0.73 CCOC(=O)CC(C)OCCOCCF 7a_200015357709_100009817359 [0,1,0,0,0,0|3,0,0]=4 3175 B14R0.73 CCOC(=O)CC(C)OCCOCCI 7a_100012149058_100009817359 [0,1,0,0,0,0|3,0,0]=4 3176 B14R0.73 CCOC(=O)CC(C)SCCCCC#N 62a_100009817359_100000211819 [0,1,0,0,0,0|2,0,1]=4 3177 B14R0.73 CCOC(=O)CC(C)SCCCCC#N 62a_100011219923_100009817359 [0,1,0,0,0,0|2,0,1]=4 3178 B14R0.73 CCOC(=O)CC(C)SCCCCC=O 62a_100000139335_100009817359 [0,1,0,0,0,0|2,0,1]=4 3179 B14R0.73 CCOC(=O)CC(C)SCCCCC=O 62a_100009817359_100000139335 [0,1,0,0,0,0|2,0,1]=4 3180 B14R0.73 CCOC(=O)CC(C)SCCCCCF 62a_100000729378_100009817359 [0,1,0,0,0,0|2,0,0]=3 3181 B14R0.73 CCOC(=O)CC(C)SCCCCCF 62a_100009817359_100000729378 [0,1,0,0,0,0|2,0,0]=3 3182 B14R0.73 CCOC(=O)CC(C)SCCCCCO 62a_100000746330_100009817359 [0,1,0,0,0,0|2,0,0]=3 3183 B14R0.73 CCOC(=O)CC(C)SCCCCCO 62a_100009817359_100000746330 [0,1,0,0,0,0|2,0,0]=3 3184 B14R0.73 CCOC(=O)CC(C)SCCCCOC 62a_100000730899_100009817359 [0,1,0,0,0,0|2,0,0]=3 3185 B14R0.73 CCOC(=O)CC(C)SCCCCOC 62a_100009817359_100000730899 [0,1,0,0,0,0|2,0,0]=3 3186 B14R0.73 CCOC(=O)CC(C)SCCOCCO 62a_100009817359_100011215305 [0,1,0,0,0,0|3,0,0]=4 3187 B14R0.73 CCOC(=O)CC(C)SCCOCCO 62a_100011215305_100009817359 [0,1,0,0,0,0|3,0,0]=4 3188 B14R0.73 CCOC(=O)CC(C)SCOCCOC 62a_100000231047_100009817359 [0,1,0,0,0,0|3,0,0]=4 3189 B14R0.73 CCOC(=O)CC(C)SCOCCOC 62a_100009817359_100000231047 [0,1,0,0,0,0|3,0,0]=4 3190 B14R0.73 CCOC(=O)CN(C)CCCCCC#N 2230a_100000220588_100009813376 [0,1,0,0,0,0|2,0,1]=4 3191 B14R0.73 CCOC(=O)CN(C)CCCCCC=O 2230a_100000220588_100000139337 [0,1,0,0,0,0|2,0,1]=4 3192 B14R0.73 CCOC(=O)CN(C)CCCCCCF 2230a_100000220588_100015922095 [0,1,0,0,0,0|2,0,0]=3 3193 B14R0.73 CCOC(=O)CN(C)CCCCCCO 2230a_100000220588_100000766143 [0,1,0,0,0,0|2,0,0]=3 3194 B14R0.73 CCOC(=O)CN(C)CCOCCOC 2230a_100000220588_100000695917 [0,1,0,0,0,0|3,0,0]=4 3195 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCC#N 7a_100009816390_100000211819 [0,1,0,0,0,0|2,0,1]=4 3196 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCC=O 7a_100009816390_100000139335 [0,1,0,0,0,0|2,0,1]=4 3197 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCF 7a_100009816390_100000729378 [0,1,0,0,0,0|2,0,0]=3 3198 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCCO 7a_100009816390_100000746330 [0,1,0,0,0,0|2,0,0]=3 3199 B14R0.73 CCOC(=O)C[C@@H](C)OCCCCOC 7a_100009816390_100000730899 [0,1,0,0,0,0|2,0,0]=3 3200 B14R0.73 CCOC(=O)C[C@@H](C)OCCOCCO 7a_100009816390_100011215305 [0,1,0,0,0,0|3,0,0]=4 3201 B14R0.73 CCOC(=O)C[C@H](O)CNCCCCO 34a_100000750430_100000688340 [0,1,0,0,0,0|2,0,0]=3 3202 B14R0.73 CCOC(=O)C[C@H](O)CNCCCOC 34a_100150723488_100000688340 [0,1,0,0,0,0|2,0,0]=3 3203 B14R0.73 CCOC(=O)C[C@H](O)COCCCCBr 34a_100011216708_100000688340 [0,1,0,0,0,0|2,0,0]=3 3204 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 34a_100000210776_100000688340 [0,1,0,0,0,0|2,0,0]=3 3205 B14R0.73 CCOC(=O)C[C@H](O)COCCCCCl 7a_100000210776_100000688340 [0,1,0,0,0,0|2,0,0]=3 3206 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 34a_100011995726_100000688340 [0,1,0,0,0,0|2,0,0]=3 3207 B14R0.73 CCOC(=O)C[C@H](O)COCCCCF 7a_100011995726_100000688340 [0,1,0,0,0,0|2,0,0]=3 3208 B14R0.73 CCOC(=O)C[C@H](O)COCCCCI 34a_200012148704_100000688340 [0,1,0,0,0,0|2,0,0]=3 3209 B14R0.73 CCOC(=O)C[C@H](O)COCCCCN 34a_100000750430_100000688340 [0,1,0,0,0,0|2,0,0]=3 3210 B14R0.73 CCOC(=O)C[C@H](O)COCCCNC 34a_100000213112_100000688340 [0,1,0,0,0,0|2,0,0]=3 3211 B14R0.73 CCOC(=O)C[C@H](O)COCCCOC 34a_100000740835_100000688340 [0,1,0,0,0,0|2,0,0]=3 3212 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 34a_100000690336_100000688340 [0,1,0,0,0,0|2,0,0]=3 3213 B14R0.73 CCOC(=O)C[C@H](O)COCCCSC 7a_100000690336_100000688340 [0,1,0,0,0,0|2,0,0]=3 3214 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 34a_100000212035_100000688340 [0,1,0,0,0,0|2,0,0]=3 3215 B14R0.73 CCOC(=O)C[C@H](O)COCCSCC 7a_100000212035_100000688340 [0,1,0,0,0,0|2,0,0]=3 3216 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC#N 62a_100000687738_100000688340 [0,1,0,0,0,0|2,0,1]=4 3217 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC#N 62a_100000688340_100000687738 [0,1,0,0,0,0|2,0,1]=4 3218 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC=O 62a_100000688340_200011292268 [0,1,0,0,0,0|2,0,1]=4 3219 B14R0.73 CCOC(=O)C[C@H](O)CSCCCC=O 62a_200011292268_100000688340 [0,1,0,0,0,0|2,0,1]=4 3220 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCF 62a_100000688340_100000729493 [0,1,0,0,0,0|2,0,0]=3 3221 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCF 62a_100000729493_100000688340 [0,1,0,0,0,0|2,0,0]=3 3222 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCO 62a_100000210776_100000688340 [0,1,0,0,0,0|2,0,0]=3 3223 B14R0.73 CCOC(=O)C[C@H](O)CSCCCCO 62a_100000688340_100000210776 [0,1,0,0,0,0|2,0,0]=3 3224 B14R0.73 CCOC(=O)C[C@H](O)CSCCCOC 62a_100000688340_100000709357 [0,1,0,0,0,0|2,0,0]=3 3225 B14R0.73 CCOC(=O)C[C@H](O)CSCCCOC 62a_100000709357_100000688340 [0,1,0,0,0,0|2,0,0]=3 3226 B14R0.73 CCOC(=O)C[C@H](O)CSCCSCC 62a_100000688340_100000757381 [0,1,0,0,0,0|2,0,0]=3 3227 B14R0.73 CCOC(=O)C[C@H](O)CSCCSCC 62a_100000757381_100000688340 [0,1,0,0,0,0|2,0,0]=3 3228 B14R0.73 CCOC(=O)OC(C)SCCCCCF 62a_100000036008_100000729378 [0,1,0,0,0,0|3,0,0]=4 3229 B14R0.73 CCOC(=O)OC(C)SCCCCCF 62a_100000729378_100000036008 [0,1,0,0,0,0|3,0,0]=4 3230 B14R0.73 CCOC(=O)OC(C)SCCCCCO 62a_100000036008_100000746330 [0,1,0,0,0,0|3,0,0]=4 3231 B14R0.73 CCOC(=O)OC(C)SCCCCCO 62a_100000746330_100000036008 [0,1,0,0,0,0|3,0,0]=4 3232 B14R0.73 CCOC(=O)OC(C)SCCCCOC 62a_100000036008_100000730899 [0,1,0,0,0,0|3,0,0]=4 3233 B14R0.73 CCOC(=O)OC(C)SCCCCOC 62a_100000730899_100000036008 [0,1,0,0,0,0|3,0,0]=4 3234 B14R0.73 CCOCCCNC(=O)CC(=O)OCC 240690a_100000210961_100000243816 [0,1,0,0,0,0|2,0,1]=4 3235 B14R0.73 CCOCCCNC(C)CC(=O)OCC 2230a_100000210961_100009817359 [0,1,0,0,0,0|2,0,0]=3 3236 B14R0.73 CCOCCCOC(C)CC(=O)OCC 7a_100000757476_100009817359 [0,1,0,0,0,0|2,0,0]=3 3237 B14R0.73 CCOCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100012232248 [0,1,0,0,0,0|2,0,0]=3 3238 B14R0.73 CCOCCCSC(C)CC(=O)OCC 62a_100009817359_100012232248 [0,1,0,0,0,0|2,0,0]=3 3239 B14R0.73 CCOCCCSC(C)CC(=O)OCC 62a_100012232248_100009817359 [0,1,0,0,0,0|2,0,0]=3 3240 B14R0.73 CCOCCCSC(C)OC(=O)OCC 62a_100000036008_100012232248 [0,1,0,0,0,0|3,0,0]=4 3241 B14R0.73 CCOCCCSC(C)OC(=O)OCC 62a_100012232248_100000036008 [0,1,0,0,0,0|3,0,0]=4 3242 B14R0.73 CCOCCNC[C@@H](O)CC(=O)OCC 34a_102516460346_100000688340 [0,1,0,0,0,0|2,0,0]=3 3243 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 34a_100000210136_100000688340 [0,1,0,0,0,0|2,0,0]=3 3244 B14R0.73 CCOCCOC[C@@H](O)CC(=O)OCC 7a_100000210136_100000688340 [0,1,0,0,0,0|2,0,0]=3 3245 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210147_100000210311 [0,1,0,0,0,0|2,0,1]=4 3246 B14R0.73 CCOCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215890 [0,1,0,0,0,0|2,0,1]=4 3247 B14R0.73 CCOCCSC[C@@H](O)CC(=O)OCC 62a_100000210147_100000688340 [0,1,0,0,0,0|2,0,0]=3 3248 B14R0.73 CCOCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215890 [0,1,0,0,0,0|2,0,0]=3 3249 B14R0.83 C#CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000184674 [0,1,0,0,0,0|1,0,2]=4 3250 B14R0.83 C#CCCCCCOC(C)C(=O)OCC 34a_100000766912_100011216346 [0,1,0,0,0,0|1,0,2]=4 3251 B14R0.83 C#CCCCCCOC(C)C(=O)OCC 7a_100000766912_100011216346 [0,1,0,0,0,0|1,0,2]=4 3252 B14R0.83 C#CCCCCCOC(F)C(=O)OCC 34a_100000766912_100000760018 [0,1,0,0,0,0|1,0,2]=4 3253 B14R0.83 C#CCCCCCOC(F)C(=O)OCC 7a_100000766912_100000040065 [0,1,0,0,0,0|1,0,2]=4 3254 B14R0.83 C#CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012094781 [0,1,0,0,0,0|1,0,2]=4 3255 B14R0.83 C#CCCCCCSC(C)C(=O)OCC 62a_100011216346_100012094781 [0,1,0,0,0,0|1,0,2]=4 3256 B14R0.83 C#CCCCCCSC(C)C(=O)OCC 62a_100012094781_100011216346 [0,1,0,0,0,0|1,0,2]=4 3257 B14R0.83 C#CCCCCCSC(F)C(=O)OCC 62a_100000760018_100012094781 [0,1,0,0,0,0|1,0,2]=4 3258 B14R0.83 C#CCCCCCSC(F)C(=O)OCC 62a_100012094781_100000760018 [0,1,0,0,0,0|1,0,2]=4 3259 B14R0.83 C=C(CNCCCCCO)C(=O)OCC 34a_100000762737_100000755967 [0,1,0,0,0,0|2,0,1]=4 3260 B14R0.83 C=C(CNCCCOCC)C(=O)OCC 34a_100000210961_100000755967 [0,1,0,0,0,0|2,0,1]=4 3261 B14R0.83 C=C(CNCCOCCC)C(=O)OCC 34a_100161115042_100000755967 [0,1,0,0,0,0|2,0,1]=4 3262 B14R0.83 C=C(COCCCCCBr)C(=O)OCC 34a_100000746331_100000755967 [0,1,0,0,0,0|2,0,1]=4 3263 B14R0.83 C=C(COCCCCCBr)C(=O)OCC 7a_100000746331_100000755967 [0,1,0,0,0,0|2,0,1]=4 3264 B14R0.83 C=C(COCCCCCC)C(=O)OCC 34a_100000210259_100000755967 [0,1,0,0,0,0|1,0,1]=3 3265 B14R0.83 C=C(COCCCCCC)C(=O)OCC 7a_100000210259_100000755967 [0,1,0,0,0,0|1,0,1]=3 3266 B14R0.83 C=C(COCCCCCCl)C(=O)OCC 34a_100000746330_100000755967 [0,1,0,0,0,0|2,0,1]=4 3267 B14R0.83 C=C(COCCCCCCl)C(=O)OCC 7a_100000746330_100000755967 [0,1,0,0,0,0|2,0,1]=4 3268 B14R0.83 C=C(COCCCCCI)C(=O)OCC 34a_200012148887_100000755967 [0,1,0,0,0,0|2,0,1]=4 3269 B14R0.83 C=C(COCCCCCI)C(=O)OCC 7a_200012148887_100000755967 [0,1,0,0,0,0|2,0,1]=4 3270 B14R0.83 C=C(COCCCCCN)C(=O)OCC 34a_100000762737_100000755967 [0,1,0,0,0,0|2,0,1]=4 3271 B14R0.83 C=C(COCCCCOC)C(=O)OCC 34a_100000740925_100000755967 [0,1,0,0,0,0|2,0,1]=4 3272 B14R0.83 C=C(COCCCCSC)C(=O)OCC 34a_100011217163_100000755967 [0,1,0,0,0,0|2,0,1]=4 3273 B14R0.83 C=C(COCCCCSC)C(=O)OCC 7a_100011217163_100000755967 [0,1,0,0,0,0|2,0,1]=4 3274 B14R0.83 C=C(COCCCOCC)C(=O)OCC 34a_100000757476_100000755967 [0,1,0,0,0,0|2,0,1]=4 3275 B14R0.83 C=C(COCCCOCC)C(=O)OCC 7a_100000757476_100000755967 [0,1,0,0,0,0|2,0,1]=4 3276 B14R0.83 C=C(COCCCSCC)C(=O)OCC 34a_100011216438_100000755967 [0,1,0,0,0,0|2,0,1]=4 3277 B14R0.83 C=C(COCCCSCC)C(=O)OCC 7a_100011216438_100000755967 [0,1,0,0,0,0|2,0,1]=4 3278 B14R0.83 C=C(COCCOCCC)C(=O)OCC 34a_100000752267_100000755967 [0,1,0,0,0,0|2,0,1]=4 3279 B14R0.83 C=C(COCCOCCC)C(=O)OCC 7a_100000752267_100000755967 [0,1,0,0,0,0|2,0,1]=4 3280 B14R0.83 C=C(COCCSCCC)C(=O)OCC 34a_200000230433_100000755967 [0,1,0,0,0,0|2,0,1]=4 3281 B14R0.83 C=C(COCCSCCC)C(=O)OCC 7a_200000230433_100000755967 [0,1,0,0,0,0|2,0,1]=4 3282 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000210314_100000755967 [0,1,0,0,0,0|1,0,1]=3 3283 B14R0.83 C=C(CSCCCCCC)C(=O)OCC 62a_100000755967_100000210757 [0,1,0,0,0,0|1,0,1]=3 3284 B14R0.83 C=C(CSCCCCCF)C(=O)OCC 62a_100000729378_100000755967 [0,1,0,0,0,0|2,0,1]=4 3285 B14R0.83 C=C(CSCCCCCF)C(=O)OCC 62a_100000755967_100000729378 [0,1,0,0,0,0|2,0,1]=4 3286 B14R0.83 C=C(CSCCCCCO)C(=O)OCC 62a_100000746330_100000755967 [0,1,0,0,0,0|2,0,1]=4 3287 B14R0.83 C=C(CSCCCCCO)C(=O)OCC 62a_100000755967_100000746330 [0,1,0,0,0,0|2,0,1]=4 3288 B14R0.83 C=C(CSCCCCOC)C(=O)OCC 62a_100000730899_100000755967 [0,1,0,0,0,0|2,0,1]=4 3289 B14R0.83 C=C(CSCCCCOC)C(=O)OCC 62a_100000755967_100000730899 [0,1,0,0,0,0|2,0,1]=4 3290 B14R0.83 C=C(CSCCCOCC)C(=O)OCC 62a_100000755967_100012232248 [0,1,0,0,0,0|2,0,1]=4 3291 B14R0.83 C=C(CSCCCOCC)C(=O)OCC 62a_100012232248_100000755967 [0,1,0,0,0,0|2,0,1]=4 3292 B14R0.83 C=C(CSCCOCCC)C(=O)OCC 62a_100000755967_100011215938 [0,1,0,0,0,0|2,0,1]=4 3293 B14R0.83 C=C(CSCCOCCC)C(=O)OCC 62a_100011215938_100000755967 [0,1,0,0,0,0|2,0,1]=4 3294 B14R0.83 C=C(CSCOCCCC)C(=O)OCC 62a_100000755967_100011995733 [0,1,0,0,0,0|2,0,1]=4 3295 B14R0.83 C=C(CSCOCCCC)C(=O)OCC 62a_100011995733_100000755967 [0,1,0,0,0,0|2,0,1]=4 3296 B14R0.83 C=CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000210623 [0,1,0,0,0,0|1,0,2]=4 3297 B14R0.83 C=CCCCCCOC(C)C(=O)OCC 34a_100011216702_100011216346 [0,1,0,0,0,0|1,0,2]=4 3298 B14R0.83 C=CCCCCCOC(C)C(=O)OCC 7a_100011216702_100011216346 [0,1,0,0,0,0|1,0,2]=4 3299 B14R0.83 C=CCCCCCOC(F)C(=O)OCC 34a_100011216702_100000760018 [0,1,0,0,0,0|1,0,2]=4 3300 B14R0.83 C=CCCCCCOC(F)C(=O)OCC 7a_100011216702_100000040065 [0,1,0,0,0,0|1,0,2]=4 3301 B14R0.83 C=CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000700193 [0,1,0,0,0,0|1,0,2]=4 3302 B14R0.83 C=CCCCCCSC(C)C(=O)OCC 62a_100000700193_100011216346 [0,1,0,0,0,0|1,0,2]=4 3303 B14R0.83 C=CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000700193 [0,1,0,0,0,0|1,0,2]=4 3304 B14R0.83 C=CCCCCCSC(F)C(=O)OCC 62a_100000700193_100000760018 [0,1,0,0,0,0|1,0,2]=4 3305 B14R0.83 C=CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000700193 [0,1,0,0,0,0|1,0,2]=4 3306 B14R0.83 CC/C=C(\C)/C(=O)CCCCCCCC 1458a_100016988807_100000210759 [0,1,0,0,0,0|2,0,1]=4 3307 B14R0.83 CC/C=C/CCCOC(C)C(=O)OCC 34a_100016287902_100011216346 [0,1,0,0,0,0|1,0,2]=4 3308 B14R0.83 CC/C=C/CCCOC(C)C(=O)OCC 7a_100016287902_100011216346 [0,1,0,0,0,0|1,0,2]=4 3309 B14R0.83 CC/C=C/CCCOC(F)C(=O)OCC 34a_100016287902_100000760018 [0,1,0,0,0,0|1,0,2]=4 3310 B14R0.83 CC/C=C/CCCOC(F)C(=O)OCC 7a_100016287902_100000040065 [0,1,0,0,0,0|1,0,2]=4 3311 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 11a_100000207567_100000210699 [0,1,0,0,0,0|2,0,1]=4 3312 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000210699 [0,1,0,0,0,0|2,0,1]=4 3313 B14R0.83 CC=CC(=O)N(C)CCCCCCCC 240690a_100000207567_100000210699 [0,1,0,0,0,0|2,0,1]=4 3314 B14R0.83 CCCC#CCCOC(C)C(=O)OCC 34a_100000042726_100011216346 [0,1,0,0,0,0|1,0,2]=4 3315 B14R0.83 CCCC#CCCOC(C)C(=O)OCC 7a_100000042726_100011216346 [0,1,0,0,0,0|1,0,2]=4 3316 B14R0.83 CCCC#CCCOC(F)C(=O)OCC 34a_100000042726_100000760018 [0,1,0,0,0,0|1,0,2]=4 3317 B14R0.83 CCCC#CCCOC(F)C(=O)OCC 7a_100000042726_100000040065 [0,1,0,0,0,0|1,0,2]=4 3318 B14R0.83 CCCC/C=C/COC(C)C(=O)OCC 34a_200016272032_100011216346 [0,1,0,0,0,0|1,0,2]=4 3319 B14R0.83 CCCC/C=C/COC(C)C(=O)OCC 7a_200016272032_100011216346 [0,1,0,0,0,0|1,0,2]=4 3320 B14R0.83 CCCC/C=C/COC(F)C(=O)OCC 34a_200016272032_100000760018 [0,1,0,0,0,0|1,0,2]=4 3321 B14R0.83 CCCC/C=C/COC(F)C(=O)OCC 7a_200016272032_100000040065 [0,1,0,0,0,0|1,0,2]=4 3322 B14R0.83 CCCCC#CCOC(C)C(=O)OCC 34a_200000034558_100011216346 [0,1,0,0,0,0|1,0,2]=4 3323 B14R0.83 CCCCC#CCOC(C)C(=O)OCC 7a_200000034558_100011216346 [0,1,0,0,0,0|1,0,2]=4 3324 B14R0.83 CCCCC#CCOC(F)C(=O)OCC 34a_200000034558_100000760018 [0,1,0,0,0,0|1,0,2]=4 3325 B14R0.83 CCCCC#CCOC(F)C(=O)OCC 7a_200000034558_100000040065 [0,1,0,0,0,0|1,0,2]=4 3326 B14R0.83 CCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210759 [0,1,0,0,0,0|1,0,1]=3 3327 B14R0.83 CCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210759 [0,1,0,0,0,0|1,0,2]=4 3328 B14R0.83 CCCCCCCCC(C)N(C)CCC 270004a_100000747261_100011216694 [0,1,0,0,0,0|3,0,0]=4 3329 B14R0.83 CCCCCCCCC(O)C(=O)CC#N 1458a_200011995895_100011214920 [0,1,0,0,0,0|2,0,1]=4 3330 B14R0.83 CCCCCCCCC(O)C(=O)CCC 1458a_200011995895_100000210303 [0,1,0,0,0,0|1,0,0]=2 3331 B14R0.83 CCCCCCCCC(O)C(=O)CCF 1458a_200011995895_100011217306 [0,1,0,0,0,0|2,0,0]=3 3332 B14R0.83 CCCCCCCCC(O)C(=O)CCO 1458a_200011995895_100000211926 [0,1,0,0,0,0|2,0,0]=3 3333 B14R0.83 CCCCCCCCC(O)C(=O)NCC 240690a_100015525214_200011995895 [0,1,0,0,0,0|1,0,0]=2 3334 B14R0.83 CCCCCCCCC(O)C(=O)NNC 22a_100016993582_200011995895 [0,1,0,0,0,0|2,0,0]=3 3335 B14R0.83 CCCCCCCCN(C)C(=O)CCC 11a_100000207567_100000211992 [0,1,0,0,0,0|2,0,0]=3 3336 B14R0.83 CCCCCCCCN(C)C(=O)CCC 1626a_100000207567_100000211992 [0,1,0,0,0,0|2,0,0]=3 3337 B14R0.83 CCCCCCCCN(C)C(=O)CCC 240690a_100000207567_100000211992 [0,1,0,0,0,0|2,0,0]=3 3338 B14R0.83 CCCCCCCCN(C)C(=O)CCC 527a_100000207567_100000211992 [0,1,0,0,0,0|2,0,0]=3 3339 B14R0.83 CCCCCCCCN(C)C(=O)CCO 240690a_100000207567_100011216618 [0,1,0,0,0,0|3,0,0]=4 3340 B14R0.83 CCCCCCCCN(C)C(=O)COC 11a_100000207567_100000210968 [0,1,0,0,0,0|3,0,0]=4 3341 B14R0.83 CCCCCCCCN(C)C(=O)COC 1626a_100000207567_100000210968 [0,1,0,0,0,0|3,0,0]=4 3342 B14R0.83 CCCCCCCCN(C)C(=O)COC 240690a_100000207567_100000210968 [0,1,0,0,0,0|3,0,0]=4 3343 B14R0.83 CCCCCCCCN(C)C(=O)COC 527a_100000207567_100000210968 [0,1,0,0,0,0|3,0,0]=4 3344 B14R0.83 CCCCCCCCN(C)C(=O)CSC 11a_100000207567_100000184570 [0,1,0,0,0,0|3,0,0]=4 3345 B14R0.83 CCCCCCCCN(C)C(=O)CSC 1626a_100000207567_100000184570 [0,1,0,0,0,0|3,0,0]=4 3346 B14R0.83 CCCCCCCCN(C)C(=O)CSC 240690a_100000207567_100000184570 [0,1,0,0,0,0|3,0,0]=4 3347 B14R0.83 CCCCCCCCN(C)C(=O)CSC 527a_100000207567_100000184570 [0,1,0,0,0,0|3,0,0]=4 3348 B14R0.83 CCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000207567 [0,1,0,0,0,0|2,0,0]=3 3349 B14R0.83 CCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000207567 [0,1,0,0,0,0|2,0,0]=3 3350 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 1626a_100000229938_200011297158 [0,1,0,0,0,0|2,0,1]=4 3351 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 240690a_100000229938_200011297158 [0,1,0,0,0,0|2,0,1]=4 3352 B14R0.83 CCCCCCCNC(=O)C(=O)NCC 527a_100000229938_200011297158 [0,1,0,0,0,0|2,0,1]=4 3353 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 11a_100000229938_100014798877 [0,1,0,0,0,0|1,0,1]=3 3354 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 1626a_100000229938_100014798877 [0,1,0,0,0,0|1,0,1]=3 3355 B14R0.83 CCCCCCCNC(=O)C(=O)OCC 240690a_100000229938_100014798877 [0,1,0,0,0,0|1,0,1]=3 3356 B14R0.83 CCCCCCCNC(C)C(=O)NCC 2230a_100000229938_100000230173 [0,1,0,0,0,0|2,0,0]=3 3357 B14R0.83 CCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210681 [0,1,0,0,0,0|2,0,0]=3 3358 B14R0.83 CCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210614 [0,1,0,0,0,0|2,0,0]=3 3359 B14R0.83 CCCCCCCNC(C)C(=O)OCC 2230a_100000229938_100011215307 [0,1,0,0,0,0|1,0,0]=2 3360 B14R0.83 CCCCCCCNC(F)C(=O)OCC 2230a_100000229938_100000760018 [0,1,0,0,0,0|1,0,0]=2 3361 B14R0.83 CCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210681 [0,1,0,0,0,0|1,1,0]=3 3362 B14R0.83 CCCCCCCOC(C)C(=O)NCC 34a_100000210272_100000230173 [0,1,0,0,0,0|2,0,0]=3 3363 B14R0.83 CCCCCCCOC(C)C(=O)NCC 7a_100000210272_100000230173 [0,1,0,0,0,0|2,0,0]=3 3364 B14R0.83 CCCCCCCOC(C)C(=O)OCC 34a_100000210272_100011216346 [0,1,0,0,0,0|1,0,0]=2 3365 B14R0.83 CCCCCCCOC(C)C(=O)OCC 7a_100000210272_100011216346 [0,1,0,0,0,0|1,0,0]=2 3366 B14R0.83 CCCCCCCOC(F)C(=O)OCC 34a_100000210272_100000760018 [0,1,0,0,0,0|1,0,0]=2 3367 B14R0.83 CCCCCCCOC(F)C(=O)OCC 7a_100000210272_100000040065 [0,1,0,0,0,0|1,0,0]=2 3368 B14R0.83 CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210614 [0,1,0,0,0,0|1,0,0]=2 3369 B14R0.83 CCCCCCCSC(C)C(=O)NCC 62a_100000210614_100000230173 [0,1,0,0,0,0|2,0,0]=3 3370 B14R0.83 CCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210316 [0,1,0,0,0,0|2,0,0]=3 3371 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100000210614_100011216346 [0,1,0,0,0,0|1,0,0]=2 3372 B14R0.83 CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210316 [0,1,0,0,0,0|1,0,0]=2 3373 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000210614_100000760018 [0,1,0,0,0,0|1,0,0]=2 3374 B14R0.83 CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210316 [0,1,0,0,0,0|1,0,0]=2 3375 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000210314_100000211299 [0,1,0,0,0,0|1,0,1]=3 3376 B14R0.83 CCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210757 [0,1,0,0,0,0|1,0,1]=3 3377 B14R0.83 CCCCOCCNC(C)C(=O)NCC 2230a_100000736553_100000743108 [0,1,0,0,0,0|3,0,0]=4 3378 B14R0.83 CCCCOCCNC(C)C(=O)NCC 34a_100000736553_100000743108 [0,1,0,0,0,0|3,0,0]=4 3379 B14R0.83 CCCCOCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000743108 [0,1,0,0,0,0|2,1,0]=4 3380 B14R0.83 CCCCOCCOC(C)C(=O)NCC 34a_100000210238_100000230173 [0,1,0,0,0,0|3,0,0]=4 3381 B14R0.83 CCCCOCCOC(C)C(=O)NCC 7a_100000210238_100000230173 [0,1,0,0,0,0|3,0,0]=4 3382 B14R0.83 CCCCOCCOC(C)C(=O)OCC 34a_100000210238_100011216346 [0,1,0,0,0,0|2,0,0]=3 3383 B14R0.83 CCCCOCCOC(C)C(=O)OCC 7a_100000210238_100011216346 [0,1,0,0,0,0|2,0,0]=3 3384 B14R0.83 CCCCOCCOC(F)C(=O)OCC 34a_100000210238_100000760018 [0,1,0,0,0,0|2,0,0]=3 3385 B14R0.83 CCCCOCCOC(F)C(=O)OCC 7a_100000210238_100000040065 [0,1,0,0,0,0|2,0,0]=3 3386 B14R0.83 CCCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000743108 [0,1,0,0,0,0|2,0,0]=3 3387 B14R0.83 CCCCOCCSC(C)C(=O)NCC 62a_100000230173_100000743108 [0,1,0,0,0,0|3,0,0]=4 3388 B14R0.83 CCCCOCCSC(C)C(=O)NCC 62a_100000743108_100000230173 [0,1,0,0,0,0|3,0,0]=4 3389 B14R0.83 CCCCOCCSC(C)C(=O)OCC 62a_100000743108_100011216346 [0,1,0,0,0,0|2,0,0]=3 3390 B14R0.83 CCCCOCCSC(C)C(=O)OCC 62a_100011216346_100000743108 [0,1,0,0,0,0|2,0,0]=3 3391 B14R0.83 CCCCOCCSC(F)C(=O)OCC 62a_100000743108_100000760018 [0,1,0,0,0,0|2,0,0]=3 3392 B14R0.83 CCCCOCCSC(F)C(=O)OCC 62a_100000760018_100000743108 [0,1,0,0,0,0|2,0,0]=3 3393 B14R0.83 CCCCOCSCC(=O)C(=O)OCC 62a_100000211299_100011995733 [0,1,0,0,0,0|2,0,1]=4 3394 B14R0.83 CCCCOCSCC(=O)C(=O)OCC 62a_100011995733_100000211299 [0,1,0,0,0,0|2,0,1]=4 3395 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 11a_100025743550_100014798877 [0,1,0,0,0,0|2,0,1]=4 3396 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 1626a_100025743550_100014798877 [0,1,0,0,0,0|2,0,1]=4 3397 B14R0.83 CCCCSCCNC(=O)C(=O)OCC 240690a_100025743550_100014798877 [0,1,0,0,0,0|2,0,1]=4 3398 B14R0.83 CCCCSCCNC(C)C(=O)NCC 2230a_100025743550_100000230173 [0,1,0,0,0,0|3,0,0]=4 3399 B14R0.83 CCCCSCCNC(C)C(=O)OCC 2230a_100025743550_100011215307 [0,1,0,0,0,0|2,0,0]=3 3400 B14R0.83 CCCCSCCNC(F)C(=O)OCC 2230a_100025743550_100000760018 [0,1,0,0,0,0|2,0,0]=3 3401 B14R0.83 CCCCSCCOC(C)C(=O)NCC 34a_200000230436_100000230173 [0,1,0,0,0,0|3,0,0]=4 3402 B14R0.83 CCCCSCCOC(C)C(=O)NCC 7a_200000230436_100000230173 [0,1,0,0,0,0|3,0,0]=4 3403 B14R0.83 CCCCSCCOC(C)C(=O)OCC 34a_200000230436_100011216346 [0,1,0,0,0,0|2,0,0]=3 3404 B14R0.83 CCCCSCCOC(C)C(=O)OCC 7a_200000230436_100011216346 [0,1,0,0,0,0|2,0,0]=3 3405 B14R0.83 CCCCSCCOC(F)C(=O)OCC 34a_200000230436_100000760018 [0,1,0,0,0,0|2,0,0]=3 3406 B14R0.83 CCCCSCCOC(F)C(=O)OCC 7a_200000230436_100000040065 [0,1,0,0,0,0|2,0,0]=3 3407 B14R0.83 CCCOCCCNC(=O)C(=O)OCC 1626a_100011217757_100014798877 [0,1,0,0,0,0|2,0,1]=4 3408 B14R0.83 CCCOCCCNC(=O)C(=O)OCC 240690a_100011217757_100014798877 [0,1,0,0,0,0|2,0,1]=4 3409 B14R0.83 CCCOCCCNC(C)C(=O)NCC 2230a_100011217757_100000230173 [0,1,0,0,0,0|3,0,0]=4 3410 B14R0.83 CCCOCCCNC(C)C(=O)NCC 34a_100011217757_100000230173 [0,1,0,0,0,0|3,0,0]=4 3411 B14R0.83 CCCOCCCNC(C)C(=O)OCC 2230a_100011217757_100011215307 [0,1,0,0,0,0|2,0,0]=3 3412 B14R0.83 CCCOCCCNC(C)C(=O)OCC 34a_100011217757_100011216346 [0,1,0,0,0,0|2,0,0]=3 3413 B14R0.83 CCCOCCCNC(F)C(=O)OCC 2230a_100011217757_100000760018 [0,1,0,0,0,0|2,0,0]=3 3414 B14R0.83 CCCOCCCNC(F)C(=O)OCC 34a_100011217757_100000760018 [0,1,0,0,0,0|2,0,0]=3 3415 B14R0.83 CCCOCCSCC(=O)C(=O)OCC 62a_100000211299_100011215938 [0,1,0,0,0,0|2,0,1]=4 3416 B14R0.83 CCCOCCSCC(=O)C(=O)OCC 62a_100011215938_100000211299 [0,1,0,0,0,0|2,0,1]=4 3417 B14R0.83 CCNC(=O)C(=O)CCCCCCCO 1458a_200011297158_100000760002 [0,1,0,0,0,0|2,0,1]=4 3418 B14R0.83 CCNC(=O)C(=O)CCCCCCOC 1458a_200011297158_100011998445 [0,1,0,0,0,0|2,0,1]=4 3419 B14R0.83 CCNC(=O)C(C)NCCCCCCF 2230a_100000736553_100015922095 [0,1,0,0,0,0|3,0,0]=4 3420 B14R0.83 CCNC(=O)C(C)NCCCCCCF 34a_100000736553_100015922095 [0,1,0,0,0,0|3,0,0]=4 3421 B14R0.83 CCNC(=O)C(C)NCCCCCCO 2230a_100000686447_100000230173 [0,1,0,0,0,0|3,0,0]=4 3422 B14R0.83 CCNC(=O)C(C)NCCCCCCO 2230a_100000736553_100000766143 [0,1,0,0,0,0|3,0,0]=4 3423 B14R0.83 CCNC(=O)C(C)NCCCCCCO 34a_100000686447_100000230173 [0,1,0,0,0,0|3,0,0]=4 3424 B14R0.83 CCNC(=O)C(C)NCCCCCCO 34a_100000736553_100000766143 [0,1,0,0,0,0|3,0,0]=4 3425 B14R0.83 CCNC(=O)C(C)NCCCCCOC 2230a_100000747528_100000230173 [0,1,0,0,0,0|3,0,0]=4 3426 B14R0.83 CCNC(=O)C(C)NCCCCCOC 34a_100000747528_100000230173 [0,1,0,0,0,0|3,0,0]=4 3427 B14R0.83 CCNC(=O)C(C)OCCCCCCBr 34a_100011215345_100000230173 [0,1,0,0,0,0|3,0,0]=4 3428 B14R0.83 CCNC(=O)C(C)OCCCCCCBr 7a_100011215345_100000230173 [0,1,0,0,0,0|3,0,0]=4 3429 B14R0.83 CCNC(=O)C(C)OCCCCCCCl 34a_100000766143_100000230173 [0,1,0,0,0,0|3,0,0]=4 3430 B14R0.83 CCNC(=O)C(C)OCCCCCCCl 7a_100000766143_100000230173 [0,1,0,0,0,0|3,0,0]=4 3431 B14R0.83 CCNC(=O)C(C)OCCCCCCF 34a_100000732779_100000230173 [0,1,0,0,0,0|3,0,0]=4 3432 B14R0.83 CCNC(=O)C(C)OCCCCCCF 7a_100000732779_100000230173 [0,1,0,0,0,0|3,0,0]=4 3433 B14R0.83 CCNC(=O)C(C)OCCCCCCN 34a_100000686447_100000230173 [0,1,0,0,0,0|3,0,0]=4 3434 B14R0.83 CCNC(=O)C(C)OCCCCCNC 34a_100000722520_100000230173 [0,1,0,0,0,0|3,0,0]=4 3435 B14R0.83 CCNC(=O)C(C)SCCCCCCF 62a_100000230173_100015922095 [0,1,0,0,0,0|3,0,0]=4 3436 B14R0.83 CCNC(=O)C(C)SCCCCCCF 62a_100015922095_100000230173 [0,1,0,0,0,0|3,0,0]=4 3437 B14R0.83 CCNC(=O)C(C)SCCCCCCO 62a_100000230173_100000766143 [0,1,0,0,0,0|3,0,0]=4 3438 B14R0.83 CCNC(=O)C(C)SCCCCCCO 62a_100000766143_100000230173 [0,1,0,0,0,0|3,0,0]=4 3439 B14R0.83 CCNCCCCCC(=O)C(=O)OCC 2230a_100015525214_100000068741 [0,1,0,0,0,0|1,0,1]=3 3440 B14R0.83 CCOC(=O)C(=O)CCCCCSCC 62a_100000210202_100000068741 [0,1,0,0,0,0|1,0,1]=3 3441 B14R0.83 CCOC(=O)C(=O)CCCCCSCF 62a_100015361967_100000068741 [0,1,0,0,0,0|2,0,1]=4 3442 B14R0.83 CCOC(=O)C(=O)CSCCCCCF 62a_100000211299_100000729378 [0,1,0,0,0,0|2,0,1]=4 3443 B14R0.83 CCOC(=O)C(=O)CSCCCCCF 62a_100000729378_100000211299 [0,1,0,0,0,0|2,0,1]=4 3444 B14R0.83 CCOC(=O)C(=O)CSCCCCCO 62a_100000211299_100000746330 [0,1,0,0,0,0|2,0,1]=4 3445 B14R0.83 CCOC(=O)C(=O)CSCCCCCO 62a_100000746330_100000211299 [0,1,0,0,0,0|2,0,1]=4 3446 B14R0.83 CCOC(=O)C(=O)CSCCCCOC 62a_100000211299_100000730899 [0,1,0,0,0,0|2,0,1]=4 3447 B14R0.83 CCOC(=O)C(=O)CSCCCCOC 62a_100000730899_100000211299 [0,1,0,0,0,0|2,0,1]=4 3448 B14R0.83 CCOC(=O)C(=O)NCCCCCCO 240690a_100000686447_100014798877 [0,1,0,0,0,0|2,0,1]=4 3449 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 11a_100000747528_100014798877 [0,1,0,0,0,0|2,0,1]=4 3450 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 1626a_100000747528_100014798877 [0,1,0,0,0,0|2,0,1]=4 3451 B14R0.83 CCOC(=O)C(=O)NCCCCCOC 240690a_100000747528_100014798877 [0,1,0,0,0,0|2,0,1]=4 3452 B14R0.83 CCOC(=O)C(C)NCCCCCCO 2230a_100000686447_100011215307 [0,1,0,0,0,0|2,0,0]=3 3453 B14R0.83 CCOC(=O)C(C)NCCCCCCO 34a_100000686447_100011216346 [0,1,0,0,0,0|2,0,0]=3 3454 B14R0.83 CCOC(=O)C(C)NCCCCCOC 2230a_100000747528_100011215307 [0,1,0,0,0,0|2,0,0]=3 3455 B14R0.83 CCOC(=O)C(C)NCCCCCOC 34a_100000747528_100011216346 [0,1,0,0,0,0|2,0,0]=3 3456 B14R0.83 CCOC(=O)C(C)NCCOCCOC 2230a_100000745349_100011215307 [0,1,0,0,0,0|3,0,0]=4 3457 B14R0.83 CCOC(=O)C(C)NCCOCCOC 34a_100000745349_100011216346 [0,1,0,0,0,0|3,0,0]=4 3458 B14R0.83 CCOC(=O)C(C)OCCCCCCBr 34a_100011215345_100011216346 [0,1,0,0,0,0|2,0,0]=3 3459 B14R0.83 CCOC(=O)C(C)OCCCCCCBr 7a_100011215345_100011216346 [0,1,0,0,0,0|2,0,0]=3 3460 B14R0.83 CCOC(=O)C(C)OCCCCCCCl 34a_100000766143_100011216346 [0,1,0,0,0,0|2,0,0]=3 3461 B14R0.83 CCOC(=O)C(C)OCCCCCCCl 7a_100000766143_100011216346 [0,1,0,0,0,0|2,0,0]=3 3462 B14R0.83 CCOC(=O)C(C)OCCCCCCF 34a_100000732779_100011216346 [0,1,0,0,0,0|2,0,0]=3 3463 B14R0.83 CCOC(=O)C(C)OCCCCCCF 7a_100000732779_100011216346 [0,1,0,0,0,0|2,0,0]=3 3464 B14R0.83 CCOC(=O)C(C)OCCCCCCN 34a_100000686447_100011216346 [0,1,0,0,0,0|2,0,0]=3 3465 B14R0.83 CCOC(=O)C(C)OCCCCCNC 34a_100000722520_100011216346 [0,1,0,0,0,0|2,0,0]=3 3466 B14R0.83 CCOC(=O)C(C)OCCOCCNC 34a_100000228057_100011216346 [0,1,0,0,0,0|3,0,0]=4 3467 B14R0.83 CCOC(=O)C(C)OCCOCCOC 34a_100011215163_100011216346 [0,1,0,0,0,0|3,0,0]=4 3468 B14R0.83 CCOC(=O)C(C)OCCOCCOC 7a_100011215163_100011216346 [0,1,0,0,0,0|3,0,0]=4 3469 B14R0.83 CCOC(=O)C(C)SCCCCCC#N 62a_100009813376_100011216346 [0,1,0,0,0,0|2,0,1]=4 3470 B14R0.83 CCOC(=O)C(C)SCCCCCC#N 62a_100011216346_100009813376 [0,1,0,0,0,0|2,0,1]=4 3471 B14R0.83 CCOC(=O)C(C)SCCCCCC=O 62a_100000139337_100011216346 [0,1,0,0,0,0|2,0,1]=4 3472 B14R0.83 CCOC(=O)C(C)SCCCCCC=O 62a_100011216346_100000139337 [0,1,0,0,0,0|2,0,1]=4 3473 B14R0.83 CCOC(=O)C(C)SCCCCCCF 62a_100011216346_100015922095 [0,1,0,0,0,0|2,0,0]=3 3474 B14R0.83 CCOC(=O)C(C)SCCCCCCF 62a_100015922095_100011216346 [0,1,0,0,0,0|2,0,0]=3 3475 B14R0.83 CCOC(=O)C(C)SCCCCCCO 62a_100000766143_100011216346 [0,1,0,0,0,0|2,0,0]=3 3476 B14R0.83 CCOC(=O)C(C)SCCCCCCO 62a_100011216346_100000766143 [0,1,0,0,0,0|2,0,0]=3 3477 B14R0.83 CCOC(=O)C(C)SCCOCCOC 62a_100000695917_100011216346 [0,1,0,0,0,0|3,0,0]=4 3478 B14R0.83 CCOC(=O)C(C)SCCOCCOC 62a_100011216346_100000695917 [0,1,0,0,0,0|3,0,0]=4 3479 B14R0.83 CCOC(=O)C(F)NCCCCCCO 2230a_100000686447_100000760018 [0,1,0,0,0,0|2,0,0]=3 3480 B14R0.83 CCOC(=O)C(F)NCCCCCCO 34a_100000686447_100000760018 [0,1,0,0,0,0|2,0,0]=3 3481 B14R0.83 CCOC(=O)C(F)NCCCCCOC 2230a_100000747528_100000760018 [0,1,0,0,0,0|2,0,0]=3 3482 B14R0.83 CCOC(=O)C(F)NCCCCCOC 34a_100000747528_100000760018 [0,1,0,0,0,0|2,0,0]=3 3483 B14R0.83 CCOC(=O)C(F)NCCOCCOC 2230a_100000745349_100000760018 [0,1,0,0,0,0|3,0,0]=4 3484 B14R0.83 CCOC(=O)C(F)NCCOCCOC 34a_100000745349_100000760018 [0,1,0,0,0,0|3,0,0]=4 3485 B14R0.83 CCOC(=O)C(F)OCCCCCCBr 34a_100011215345_100000760018 [0,1,0,0,0,0|2,0,0]=3 3486 B14R0.83 CCOC(=O)C(F)OCCCCCCBr 7a_100011215345_100000040065 [0,1,0,0,0,0|2,0,0]=3 3487 B14R0.83 CCOC(=O)C(F)OCCCCCCCl 34a_100000766143_100000760018 [0,1,0,0,0,0|2,0,0]=3 3488 B14R0.83 CCOC(=O)C(F)OCCCCCCCl 7a_100000766143_100000040065 [0,1,0,0,0,0|2,0,0]=3 3489 B14R0.83 CCOC(=O)C(F)OCCCCCCF 34a_100000732779_100000760018 [0,1,0,0,0,0|2,0,0]=3 3490 B14R0.83 CCOC(=O)C(F)OCCCCCCF 7a_100000732779_100000040065 [0,1,0,0,0,0|2,0,0]=3 3491 B14R0.83 CCOC(=O)C(F)OCCCCCCN 34a_100000686447_100000760018 [0,1,0,0,0,0|2,0,0]=3 3492 B14R0.83 CCOC(=O)C(F)OCCCCCNC 34a_100000722520_100000760018 [0,1,0,0,0,0|2,0,0]=3 3493 B14R0.83 CCOC(=O)C(F)OCCOCCNC 34a_100000228057_100000760018 [0,1,0,0,0,0|3,0,0]=4 3494 B14R0.83 CCOC(=O)C(F)OCCOCCOC 34a_100011215163_100000760018 [0,1,0,0,0,0|3,0,0]=4 3495 B14R0.83 CCOC(=O)C(F)OCCOCCOC 7a_100011215163_100000040065 [0,1,0,0,0,0|3,0,0]=4 3496 B14R0.83 CCOC(=O)C(F)SCCCCCC#N 62a_100000760018_100009813376 [0,1,0,0,0,0|2,0,1]=4 3497 B14R0.83 CCOC(=O)C(F)SCCCCCC#N 62a_100009813376_100000760018 [0,1,0,0,0,0|2,0,1]=4 3498 B14R0.83 CCOC(=O)C(F)SCCCCCC=O 62a_100000139337_100000760018 [0,1,0,0,0,0|2,0,1]=4 3499 B14R0.83 CCOC(=O)C(F)SCCCCCC=O 62a_100000760018_100000139337 [0,1,0,0,0,0|2,0,1]=4 3500 B14R0.83 CCOC(=O)C(F)SCCCCCCF 62a_100000760018_100015922095 [0,1,0,0,0,0|2,0,0]=3 3501 B14R0.83 CCOC(=O)C(F)SCCCCCCF 62a_100015922095_100000760018 [0,1,0,0,0,0|2,0,0]=3 3502 B14R0.83 CCOC(=O)C(F)SCCCCCCO 62a_100000760018_100000766143 [0,1,0,0,0,0|2,0,0]=3 3503 B14R0.83 CCOC(=O)C(F)SCCCCCCO 62a_100000766143_100000760018 [0,1,0,0,0,0|2,0,0]=3 3504 B14R0.83 CCOC(=O)C(F)SCCOCCOC 62a_100000695917_100000760018 [0,1,0,0,0,0|3,0,0]=4 3505 B14R0.83 CCOC(=O)C(F)SCCOCCOC 62a_100000760018_100000695917 [0,1,0,0,0,0|3,0,0]=4 3506 B14R0.83 CCOC(=O)[C@H](C)OCCCCCC#N 7a_100000751109_100009813376 [0,1,0,0,0,0|2,0,1]=4 3507 B14R0.83 CCOC(=O)[C@H](C)OCCCCCC=O 7a_100000751109_100000139337 [0,1,0,0,0,0|2,0,1]=4 3508 B14R0.83 CCOC(=O)[C@H](C)OCCCCCCF 7a_100000751109_100015922095 [0,1,0,0,0,0|2,0,0]=3 3509 B14R0.83 CCOC(=O)[C@H](C)OCCCCCCO 7a_100000751109_100000766143 [0,1,0,0,0,0|2,0,0]=3 3510 B14R0.83 CCOC(=O)[C@H](C)OCCOCCOC 7a_100000751109_100000695917 [0,1,0,0,0,0|3,0,0]=4 3511 B14R0.83 CCOCCCSCC(=O)C(=O)OCC 62a_100000211299_100012232248 [0,1,0,0,0,0|2,0,1]=4 3512 B14R0.83 CCOCCCSCC(=O)C(=O)OCC 62a_100012232248_100000211299 [0,1,0,0,0,0|2,0,1]=4 3513 B14R0.83 CCSC(=O)[C@H](C)NCCCCCCF 2230a_100103168634_100015922095 [0,1,0,0,0,0|2,1,0]=4 3514 B14R0.83 CCSC(=O)[C@H](C)NCCCCCCO 2230a_100103168634_100000766143 [0,1,0,0,0,0|2,1,0]=4 3515 B14R0.90 CCCCCCCCCN(CC)CCC 2230a_100000226822_100011214924 [0,1,0,0,0,0|3,0,0]=4 3516 B14R0.90 CCCCCCCCCN(CC)CCC 269982a_100000226822_100000210670 [0,1,0,0,0,0|3,0,0]=4 3517 B14R0.90 CCCCCCCNCC(CC)OCC 2230a_100015183923_100000210681 [0,1,0,0,0,0|2,0,1]=4 3518 B14R0.90 CCCCCCCNCC(CC)OCC 34a_100015183923_100000210614 [0,1,0,0,0,0|2,0,1]=4 3519 B14R0.163 C#CCCC(=O)CCCCC(=O)OCC 1458a_100000692101_100000750268 [0,1,0,0,0,0|0,0,3]=4 3520 B14R0.163 C#CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000753159 [0,1,0,0,0,0|0,0,3]=4 3521 B14R0.163 C/C=C/CC(=O)CCCCC(=O)OCC 1458a_100011217402_100102629194 [0,1,0,0,0,0|0,0,3]=4 3522 B14R0.163 C=CCCC(=O)CCCCC(=O)OCC 1458a_100000749702_100000750268 [0,1,0,0,0,0|0,0,3]=4 3523 B14R0.163 C=CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000754431 [0,1,0,0,0,0|0,0,3]=4 3524 B14R0.163 C=CCCC(C)OCCCC(=O)OCC 34a_100000765329_100009991533 [0,1,0,0,0,0|1,0,2]=4 3525 B14R0.163 C=CCCC(C)OCCCC(=O)OCC 7a_100000765329_100011215271 [0,1,0,0,0,0|1,0,2]=4 3526 B14R0.163 C=CCCN(C)CCCCC(=O)OCC 2230a_100020639649_100000750268 [0,1,0,0,0,0|1,0,2]=4 3527 B14R0.163 C=CCCN(C)CCCCC(=O)OCC 269982a_100020639649_100000750268 [0,1,0,0,0,0|1,0,2]=4 3528 B14R0.163 CC#CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000748600 [0,1,0,0,0,0|0,0,3]=4 3529 B14R0.163 CC=CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000070051 [0,1,0,0,0,0|0,0,3]=4 3530 B14R0.163 CC=CCC(=O)CCCCC(=O)OCC 1458a_100121576822_100000750268 [0,1,0,0,0,0|0,0,3]=4 3531 B14R0.163 CCC#CC(=O)CCCCC(=O)OCC 1458a_100011827653_100000750268 [0,1,0,0,0,0|0,0,3]=4 3532 B14R0.163 CCC#CC(C)OCCCC(=O)OCC 34a_100000033903_100009991533 [0,1,0,0,0,0|1,0,2]=4 3533 B14R0.163 CCC#CC(C)OCCCC(=O)OCC 7a_100000033903_100011215271 [0,1,0,0,0,0|1,0,2]=4 3534 B14R0.163 CCC=CC(=O)CCCCC(=O)OCC 1458a_100000212282_100000750268 [0,1,0,0,0,0|0,0,3]=4 3535 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100000210183_100000750268 [0,1,0,0,0,0|0,0,1]=2 3536 B14R0.163 CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210211 [0,1,0,0,0,0|0,0,1]=2 3537 B14R0.163 CCCCC(=O)CCOCC(=O)OCC 1458a_100000210183_100000088970 [0,1,0,0,0,0|1,0,1]=3 3538 B14R0.163 CCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000210183 [0,1,0,0,0,0|1,0,1]=3 3539 B14R0.163 CCCCC(C)COCCC(=O)NCC 7a_100011995851_100000737597 [0,1,0,0,0,0|2,0,0]=3 3540 B14R0.163 CCCCC(C)COCCC(=O)OCC 34a_100011995851_100000765890 [0,1,0,0,0,0|1,0,0]=2 3541 B14R0.163 CCCCC(C)COCCC(=O)OCC 7a_100011995851_100011206558 [0,1,0,0,0,0|1,0,0]=2 3542 B14R0.163 CCCCC(C)COCOC(=O)CCC 34a_100011995851_100000034017 [0,1,0,0,0,0|3,0,0]=4 3543 B14R0.163 CCCCC(C)NC/C=C/C(=O)OCC 2230a_100000126638_100016267167 [0,1,0,0,0,0|1,0,2]=4 3544 B14R0.163 CCCCC(C)NCCCC(=O)OCC 2230a_100000126638_100009991533 [0,1,0,0,0,0|1,0,0]=2 3545 B14R0.163 CCCCC(C)OC/C=C/C(=O)OCC 34a_100000687866_100016267167 [0,1,0,0,0,0|1,0,2]=4 3546 B14R0.163 CCCCC(C)OC/C=C/C(=O)OCC 7a_100000687866_100016267167 [0,1,0,0,0,0|1,0,2]=4 3547 B14R0.163 CCCCC(C)OCCCC(=O)OCC 34a_100000687866_100009991533 [0,1,0,0,0,0|1,0,0]=2 3548 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100000687866_100011215271 [0,1,0,0,0,0|1,0,0]=2 3549 B14R0.163 CCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011215066 [0,1,0,0,0,0|1,0,0]=2 3550 B14R0.163 CCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011215066 [0,1,0,0,0,0|2,0,0]=3 3551 B14R0.163 CCCCC(C)OCCNC(=O)OCC 7a_100000687866_200011445536 [0,1,0,0,0,0|2,0,0]=3 3552 B14R0.163 CCCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_200011215066 [0,1,0,0,0,0|1,0,2]=4 3553 B14R0.163 CCCCC(C)SC/C=C/C(=O)OCC 62a_200011215066_100016267167 [0,1,0,0,0,0|1,0,2]=4 3554 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011215066 [0,1,0,0,0,0|1,0,0]=2 3555 B14R0.163 CCCCC(C)SCCCC(=O)OCC 62a_200011215066_100009991533 [0,1,0,0,0,0|1,0,0]=2 3556 B14R0.163 CCCCC(C)SCCNC(=O)OCC 62a_200011215066_200011445536 [0,1,0,0,0,0|2,0,0]=3 3557 B14R0.163 CCCCN(C)CCCCC(=O)OCC 2230a_100000207549_100000750268 [0,1,0,0,0,0|1,0,0]=2 3558 B14R0.163 CCCCN(C)CCCCC(=O)OCC 269982a_100000207549_100000750268 [0,1,0,0,0,0|1,0,0]=2 3559 B14R0.163 CCCCN(C)CCOCC(=O)OCC 2230a_100000207549_100000088970 [0,1,0,0,0,0|2,0,0]=3 3560 B14R0.163 CCCCN(C)CCOCC(=O)OCC 269982a_100000207549_100000088970 [0,1,0,0,0,0|2,0,0]=3 3561 B14R0.163 CCCC[C@H](N)COCCC(=O)OCC 34a_100011934283_100000765890 [0,1,0,0,0,0|1,0,0]=2 3562 B14R0.163 CCCC[C@H](N)COCOC(=O)CCC 34a_100011934283_100000034017 [0,1,0,0,0,0|3,0,0]=4 3563 B14R0.163 CCCNC(=O)CCCCC(=O)OCC 11a_100020643023_100011217402 [0,1,0,0,0,0|1,0,1]=3 3564 B14R0.163 CCCNC(=O)CCCCC(=O)OCC 1626a_100020643023_100011217402 [0,1,0,0,0,0|1,0,1]=3 3565 B14R0.163 CCCNC(=O)CCCCC(=O)OCC 240690a_100020643023_100011217402 [0,1,0,0,0,0|1,0,1]=3 3566 B14R0.163 CCCNC(=O)CCCCC(=O)OCC 527a_100020643023_100011217402 [0,1,0,0,0,0|1,0,1]=3 3567 B14R0.163 CCCNC(=O)CNCCC(=O)OCC 2230a_100000174927_100011206558 [0,1,0,0,0,0|2,0,1]=4 3568 B14R0.163 CCCNC(=O)CSCCC(=O)OCC 62a_100000183358_100000765890 [0,1,0,0,0,0|2,0,1]=4 3569 B14R0.163 CCCNC(=O)CSCCC(=O)OCC 62a_100000765890_100000183358 [0,1,0,0,0,0|2,0,1]=4 3570 B14R0.163 CCCOC(=O)CSCCC(=O)OCC 62a_100000765890_200011215008 [0,1,0,0,0,0|2,0,1]=4 3571 B14R0.163 CCCOC(=O)CSCCC(=O)OCC 62a_200011215008_100000765890 [0,1,0,0,0,0|2,0,1]=4 3572 B14R0.163 CCCOC(C)CNCCC(=O)NCC 2230a_100015185124_100000737597 [0,1,0,0,0,0|3,0,0]=4 3573 B14R0.163 CCCOC(C)CNCCC(=O)OCC 2230a_100015185124_100011206558 [0,1,0,0,0,0|2,0,0]=3 3574 B14R0.163 CCCOC(C)CNCCC(=O)OCC 34a_100015185124_100000765890 [0,1,0,0,0,0|2,0,0]=3 3575 B14R0.163 CCNC(=O)CCNCC(O)COCC 2230a_102515437182_100000737597 [0,1,0,0,0,0|3,0,0]=4 3576 B14R0.163 CCNC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000737597 [0,1,0,0,0,0|3,0,0]=4 3577 B14R0.163 CCNCC(=O)NCCCC(=O)OCC 2230a_100015525214_100000183181 [0,1,0,0,0,0|2,0,1]=4 3578 B14R0.163 CCNNC(=O)CCCCC(=O)OCC 22a_100000756455_100011217402 [0,1,0,0,0,0|2,0,1]=4 3579 B14R0.163 CCOC(=O)CCCCC(=O)CCC#N 1458a_100011217402_100011215226 [0,1,0,0,0,0|1,0,2]=4 3580 B14R0.163 CCOC(=O)CCCCC(=O)CCC#N 1458a_100011934036_100000750268 [0,1,0,0,0,0|1,0,2]=4 3581 B14R0.163 CCOC(=O)CCCCC(=O)CCCF 1458a_100011217402_100011934791 [0,1,0,0,0,0|1,0,1]=3 3582 B14R0.163 CCOC(=O)CCCCC(=O)CCCO 1458a_100011217402_100011215043 [0,1,0,0,0,0|1,0,1]=3 3583 B14R0.163 CCOC(=O)CCCCC(=O)CCOC 1458a_100000749529_100000750268 [0,1,0,0,0,0|1,0,1]=3 3584 B14R0.163 CCOC(=O)CCCCC(=O)CCOC 1458a_100011217402_100000233755 [0,1,0,0,0,0|1,0,1]=3 3585 B14R0.163 CCOC(=O)CCCCC(=O)CCSC 1458a_100000174002_100000750268 [0,1,0,0,0,0|1,0,1]=3 3586 B14R0.163 CCOC(=O)CCCCC(=O)CCSC 1458a_100011217402_100000751147 [0,1,0,0,0,0|1,0,1]=3 3587 B14R0.163 CCOC(=O)CCCCC(=O)CSCC 1458a_100000230394_100000750268 [0,1,0,0,0,0|1,0,1]=3 3588 B14R0.163 CCOC(=O)CCCCC(=O)NCCF 11a_100000724931_100011217402 [0,1,0,0,0,0|2,0,1]=4 3589 B14R0.163 CCOC(=O)CCCCC(=O)NCCF 1626a_100000724931_100011217402 [0,1,0,0,0,0|2,0,1]=4 3590 B14R0.163 CCOC(=O)CCCCC(=O)NCCF 240690a_100000724931_100011217402 [0,1,0,0,0,0|2,0,1]=4 3591 B14R0.163 CCOC(=O)CCCCC(=O)NCCF 527a_100000724931_100011217402 [0,1,0,0,0,0|2,0,1]=4 3592 B14R0.163 CCOC(=O)CCCCC(=O)NCCO 240690a_100000210304_100011217402 [0,1,0,0,0,0|2,0,1]=4 3593 B14R0.163 CCOC(=O)CCCCC(=O)NCCO 527a_100000210304_100011217402 [0,1,0,0,0,0|2,0,1]=4 3594 B14R0.163 CCOC(=O)CCCCN(C)CCC#N 2230a_100000184479_100000750268 [0,1,0,0,0,0|2,0,1]=4 3595 B14R0.163 CCOC(=O)CCCCN(C)CCCO 2230a_100000213112_100000750268 [0,1,0,0,0,0|2,0,0]=3 3596 B14R0.163 CCOC(=O)CCCCN(C)CCCO 269982a_100000213112_100000750268 [0,1,0,0,0,0|2,0,0]=3 3597 B14R0.163 CCOC(=O)CCCCN(C)CCOC 2230a_100000743101_100000750268 [0,1,0,0,0,0|2,0,0]=3 3598 B14R0.163 CCOC(=O)CCCCN(C)CCOC 269982a_100000743101_100000750268 [0,1,0,0,0,0|2,0,0]=3 3599 B14R0.163 CCOC(=O)CCCCN(C)CCSC 2230a_100000686725_100000750268 [0,1,0,0,0,0|2,0,0]=3 3600 B14R0.163 CCOC(=O)CCCCN(C)CCSC 269982a_100000686725_100000750268 [0,1,0,0,0,0|2,0,0]=3 3601 B14R0.163 CCOC(=O)CCCNC(=O)CCOC 188690a_100000211256_100000749529 [0,1,0,0,0,0|2,0,1]=4 3602 B14R0.163 CCOC(=O)CCCNC(=O)CCSC 188690a_100000211256_100000174002 [0,1,0,0,0,0|2,0,1]=4 3603 B14R0.163 CCOC(=O)CCCNC(=O)CSCC 188690a_100000211256_100000230394 [0,1,0,0,0,0|2,0,1]=4 3604 B14R0.163 CCOC(=O)CCCNC(=O)CSCC 62a_100000183181_100000210202 [0,1,0,0,0,0|2,0,1]=4 3605 B14R0.163 CCOC(=O)CCCNC(=O)CSCC 62a_100000210202_100000183181 [0,1,0,0,0,0|2,0,1]=4 3606 B14R0.163 CCOC(=O)CCCOC(C)CCCCl 34a_200000718107_100009991533 [0,1,0,0,0,0|2,0,0]=3 3607 B14R0.163 CCOC(=O)CCCOC(C)CCCCl 7a_200000718107_100011215271 [0,1,0,0,0,0|2,0,0]=3 3608 B14R0.163 CCOC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100011206558 [0,1,0,0,0,0|2,0,0]=3 3609 B14R0.163 CCOC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100000765890 [0,1,0,0,0,0|2,0,0]=3 3610 B14R0.163 CCOC(=O)CCOC[C@@H](C)OCOC 34a_100016172286_100000765890 [0,1,0,0,0,0|3,0,0]=4 3611 B14R0.163 CCOC(=O)CCOC[C@@H](C)OCOC 7a_100016172286_100011206558 [0,1,0,0,0,0|3,0,0]=4 3612 B14R0.163 CCOC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100000765890 [0,1,0,0,0,0|2,0,0]=3 3613 B14R0.163 CCOC(=O)COCCC(=O)CCOC 1458a_100000749529_100000088970 [0,1,0,0,0,0|2,0,1]=4 3614 B14R0.163 CCOC(=O)COCCC(=O)CCSC 1458a_100000174002_100000088970 [0,1,0,0,0,0|2,0,1]=4 3615 B14R0.163 CCOC(=O)COCCC(=O)CSCC 1458a_100000230394_100000088970 [0,1,0,0,0,0|2,0,1]=4 3616 B14R0.163 CCOC(=O)COCCN(C)CCCO 2230a_100000213112_100000088970 [0,1,0,0,0,0|3,0,0]=4 3617 B14R0.163 CCOC(=O)COCCN(C)CCCO 269982a_100000213112_100000088970 [0,1,0,0,0,0|3,0,0]=4 3618 B14R0.163 CCOC(=O)COCCN(C)CCOC 2230a_100000743101_100000088970 [0,1,0,0,0,0|3,0,0]=4 3619 B14R0.163 CCOC(=O)COCCN(C)CCOC 269982a_100000743101_100000088970 [0,1,0,0,0,0|3,0,0]=4 3620 B14R0.163 CCOC(=O)COCCN(C)CCSC 2230a_100000686725_100000088970 [0,1,0,0,0,0|3,0,0]=4 3621 B14R0.163 CCOC(=O)COCCN(C)CCSC 269982a_100000686725_100000088970 [0,1,0,0,0,0|3,0,0]=4 3622 B14R0.163 CCOC(=O)NCCOC(C)CCCCl 7a_200000718107_200011445536 [0,1,0,0,0,0|3,0,0]=4 3623 B14R0.163 CCOCC(=O)CCCCC(=O)OCC 1458a_100000211967_100000750268 [0,1,0,0,0,0|1,0,1]=3 3624 B14R0.163 CCOCC(=O)CCOCC(=O)OCC 1458a_100000211967_100000088970 [0,1,0,0,0,0|2,0,1]=4 3625 B14R0.163 CCOCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211967 [0,1,0,0,0,0|2,0,1]=4 3626 B14R0.163 CCOCC(=O)NCCCC(=O)OCC 34a_100121572206_100000183181 [0,1,0,0,0,0|2,0,1]=4 3627 B14R0.163 CCOCC(C)OCCCC(=O)OCC 34a_100000718985_100009991533 [0,1,0,0,0,0|2,0,0]=3 3628 B14R0.163 CCOCC(C)OCCCC(=O)OCC 7a_100000718985_100011215271 [0,1,0,0,0,0|2,0,0]=3 3629 B14R0.163 CCOCC(C)OCCNC(=O)OCC 7a_100000718985_200011445536 [0,1,0,0,0,0|3,0,0]=4 3630 B14R0.163 CCOCC(O)CNCCC(=O)OCC 2230a_102515437182_100011206558 [0,1,0,0,0,0|2,0,0]=3 3631 B14R0.163 CCOCC(O)CNCCC(=O)OCC 34a_102515437182_100000765890 [0,1,0,0,0,0|2,0,0]=3 3632 B14R0.181 C#CC(C)C(=O)CCCCCCCCC 1458a_100000210558_200000035995 [0,1,0,0,0,0|1,0,2]=4 3633 B14R0.181 C#CCCCCCCCC(=O)C(C)CC 1458a_100000087357_100000758301 [0,1,0,0,0,0|1,0,2]=4 3634 B14R0.181 C#CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100153394163 [0,1,0,0,0,0|1,0,2]=4 3635 B14R0.181 C#CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100153394163 [0,1,0,0,0,0|1,0,2]=4 3636 B14R0.181 C#CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000087357 [0,1,0,0,0,0|1,0,2]=4 3637 B14R0.181 C#CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000087357 [0,1,0,0,0,0|1,0,2]=4 3638 B14R0.181 C#CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000087357 [0,1,0,0,0,0|1,0,2]=4 3639 B14R0.181 C#CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000087357 [0,1,0,0,0,0|1,0,2]=4 3640 B14R0.181 C/C=C(\C)/C(=O)CCCCCCCCC 1458a_100020587367_100000210670 [0,1,0,0,0,0|1,0,1]=3 3641 B14R0.181 C/C=C(\C)/C(=O)CCCCCCCCO 1458a_100020587367_100000033203 [0,1,0,0,0,0|2,0,1]=4 3642 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC 11a_100000229939_100020587367 [0,1,0,0,0,0|2,0,1]=4 3643 B14R0.181 C/C=C(\C)/C(=O)NCCCCCCCC 1626a_100000229939_100020587367 [0,1,0,0,0,0|2,0,1]=4 3644 B14R0.181 C=CC(C)C(=O)CCCCCCCCC 1458a_100011216780_100000210670 [0,1,0,0,0,0|1,0,2]=4 3645 B14R0.181 C=CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100012355270 [0,1,0,0,0,0|1,0,2]=4 3646 B14R0.181 C=CCCCCCCCC(=O)C(C)CC 1458a_100011216160_100000758301 [0,1,0,0,0,0|1,0,2]=4 3647 B14R0.181 C=CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100012355270 [0,1,0,0,0,0|1,0,2]=4 3648 B14R0.181 C=CCCCCCCCC(=O)N(C)CC 11a_100000225621_100011216160 [0,1,0,0,0,0|1,0,2]=4 3649 B14R0.181 C=CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100011216160 [0,1,0,0,0,0|1,0,2]=4 3650 B14R0.181 C=CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100011216160 [0,1,0,0,0,0|1,0,2]=4 3651 B14R0.181 C=CCCCCCCCC(=O)N(C)CC 527a_100000225621_100011216160 [0,1,0,0,0,0|1,0,2]=4 3652 B14R0.181 CCC(C)C(=O)CCCCCCCCO 1458a_100011192722_100000033203 [0,1,0,0,0,0|2,0,0]=3 3653 B14R0.181 CCC(C)C(=O)NCCCCCCCO 240690a_100011996573_100011192722 [0,1,0,0,0,0|3,0,0]=4 3654 B14R0.181 CCC(O)C(=O)CCCCCCCCO 1458a_100011196387_100000033203 [0,1,0,0,0,0|2,0,0]=3 3655 B14R0.181 CCC(O)C(=O)NCCCCCCCO 240690a_100011996573_100011196387 [0,1,0,0,0,0|3,0,0]=4 3656 B14R0.181 CCCCC#CCCCC(=O)C(C)CC 1458a_100011192722_200000047210 [0,1,0,0,0,0|1,0,2]=4 3657 B14R0.181 CCCCC#CCCCC(=O)C(O)CC 1458a_100011196387_200000047210 [0,1,0,0,0,0|1,0,2]=4 3658 B14R0.181 CCCCC/C=C/CCC(=O)C(C)CC 1458a_200015255902_100000758301 [0,1,0,0,0,0|1,0,2]=4 3659 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 11a_100000225621_200015255902 [0,1,0,0,0,0|1,0,2]=4 3660 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 1626a_100000225621_200015255902 [0,1,0,0,0,0|1,0,2]=4 3661 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 240690a_100000225621_200015255902 [0,1,0,0,0,0|1,0,2]=4 3662 B14R0.181 CCCCC/C=C/CCC(=O)N(C)CC 527a_100000225621_200015255902 [0,1,0,0,0,0|1,0,2]=4 3663 B14R0.181 CCCCCC/C=C/CC(=O)C(C)CC 1458a_100020681715_100000758301 [0,1,0,0,0,0|1,0,2]=4 3664 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 11a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 3665 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 1626a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 3666 B14R0.181 CCCCCC/C=C/CC(=O)N(C)CC 240690a_100000225621_100020681715 [0,1,0,0,0,0|1,0,2]=4 3667 B14R0.181 CCCCCCCC=CC(=O)C(C)CC 1458a_200015332781_100000758301 [0,1,0,0,0,0|1,0,2]=4 3668 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 11a_100000225621_200015332781 [0,1,0,0,0,0|1,0,2]=4 3669 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_200015332781 [0,1,0,0,0,0|1,0,2]=4 3670 B14R0.181 CCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_200015332781 [0,1,0,0,0,0|1,0,2]=4 3671 B14R0.181 CCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210670 [0,1,0,0,0,0|2,0,0]=3 3672 B14R0.181 CCCCCCCCCC(=O)C(C)C#N 1458a_100000210558_100000703298 [0,1,0,0,0,0|2,0,1]=4 3673 B14R0.181 CCCCCCCCCC(=O)C(C)C#N 1458a_100000753662_100000210670 [0,1,0,0,0,0|2,0,1]=4 3674 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100000210558_100000758301 [0,1,0,0,0,0|1,0,0]=2 3675 B14R0.181 CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210670 [0,1,0,0,0,0|1,0,0]=2 3676 B14R0.181 CCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210670 [0,1,0,0,0,0|2,0,0]=3 3677 B14R0.181 CCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210670 [0,1,0,0,0,0|2,0,0]=3 3678 B14R0.181 CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210670 [0,1,0,0,0,0|1,0,0]=2 3679 B14R0.181 CCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210670 [0,1,0,0,0,0|2,0,0]=3 3680 B14R0.181 CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210558 [0,1,0,0,0,0|1,0,0]=2 3681 B14R0.181 CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210558 [0,1,0,0,0,0|1,0,0]=2 3682 B14R0.181 CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210558 [0,1,0,0,0,0|1,0,0]=2 3683 B14R0.181 CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210558 [0,1,0,0,0,0|1,0,0]=2 3684 B14R0.181 CCCCCCCCCN(C)C(=O)CC 11a_100000232482_100000210414 [0,1,0,0,0,0|3,0,0]=4 3685 B14R0.181 CCCCCCCCCN(C)C(=O)CC 1626a_100000232482_100000210414 [0,1,0,0,0,0|3,0,0]=4 3686 B14R0.181 CCCCCCCCCN(C)C(=O)CC 240690a_100000232482_100000210414 [0,1,0,0,0,0|3,0,0]=4 3687 B14R0.181 CCCCCCCCCN(C)C(=O)CC 527a_100000232482_100000210414 [0,1,0,0,0,0|3,0,0]=4 3688 B14R0.181 CCCCCCCCCN(C)C(C)CC 2230a_100000232482_100000758301 [0,1,0,0,0,0|3,0,0]=4 3689 B14R0.181 CCCCCCCCCN(C)C(C)CC 2230a_100000741768_100011214924 [0,1,0,0,0,0|3,0,0]=4 3690 B14R0.181 CCCCCCCCCN(C)C(C)CC 269982a_100000232482_100000758301 [0,1,0,0,0,0|3,0,0]=4 3691 B14R0.181 CCCCCCCCCN(C)C(C)CC 269982a_100000741768_100000210670 [0,1,0,0,0,0|3,0,0]=4 3692 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 1626a_100000229939_100011218921 [0,1,0,0,0,0|3,0,0]=4 3693 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 240690a_100000229939_100011218921 [0,1,0,0,0,0|3,0,0]=4 3694 B14R0.181 CCCCCCCCNC(=O)C(=O)NC 527a_100000229939_100011218921 [0,1,0,0,0,0|3,0,0]=4 3695 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 11a_100000229939_100000024059 [0,1,0,0,0,0|3,0,0]=4 3696 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 1626a_100000229939_100000024059 [0,1,0,0,0,0|3,0,0]=4 3697 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 240690a_100000229939_100000024059 [0,1,0,0,0,0|3,0,0]=4 3698 B14R0.181 CCCCCCCCNC(=O)C(=O)OC 527a_100000229939_100000024059 [0,1,0,0,0,0|3,0,0]=4 3699 B14R0.181 CCCCCCCCNC(=O)C(C)CC 11a_100000229939_100011192722 [0,1,0,0,0,0|2,0,0]=3 3700 B14R0.181 CCCCCCCCNC(=O)C(C)CC 1626a_100000229939_100011192722 [0,1,0,0,0,0|2,0,0]=3 3701 B14R0.181 CCCCCCCCNC(=O)C(C)CC 240690a_100000229939_100011192722 [0,1,0,0,0,0|2,0,0]=3 3702 B14R0.181 CCCCCCCCNC(=O)C(C)CC 527a_100000229939_100011192722 [0,1,0,0,0,0|2,0,0]=3 3703 B14R0.181 CCCCCCCCNC(=O)C(C)OC 11a_100000229939_100000743197 [0,1,0,0,0,0|3,0,0]=4 3704 B14R0.181 CCCCCCCCNC(=O)C(C)OC 1626a_100000229939_100000743197 [0,1,0,0,0,0|3,0,0]=4 3705 B14R0.181 CCCCCCCCNC(=O)C(C)OC 240690a_100000229939_100000743197 [0,1,0,0,0,0|3,0,0]=4 3706 B14R0.181 CCCCCCCCNC(=O)C(C)OC 527a_100000229939_100000743197 [0,1,0,0,0,0|3,0,0]=4 3707 B14R0.181 CCCCCCCCNC(=O)C(C)SC 11a_100000229939_100000149566 [0,1,0,0,0,0|3,0,0]=4 3708 B14R0.181 CCCCCCCCNC(=O)C(C)SC 1626a_100000229939_100000149566 [0,1,0,0,0,0|3,0,0]=4 3709 B14R0.181 CCCCCCCCNC(=O)C(C)SC 240690a_100000229939_100000149566 [0,1,0,0,0,0|3,0,0]=4 3710 B14R0.181 CCCCCCCCNC(=O)C(C)SC 527a_100000229939_100000149566 [0,1,0,0,0,0|3,0,0]=4 3711 B14R0.181 CCCCCCCCNC(=O)C(O)CC 240690a_100000229939_100011196387 [0,1,0,0,0,0|2,0,0]=3 3712 B14R0.181 CCCCCCCCNC(=O)C(O)CO 240690a_100000229939_100011215603 [0,1,0,0,0,0|3,0,0]=4 3713 B14R0.181 CCCCCCCCNC(=O)N(C)CC 2708a_100000229939_100000225621 [0,1,0,0,0,0|2,0,0]=3 3714 B14R0.181 CCCCCCCCNC(=O)N(C)CC 273464a_100000229939_100000225621 [0,1,0,0,0,0|2,0,0]=3 3715 B14R0.181 CCCCCCCNCC(=O)N(C)CC 2230a_100000229938_100000738999 [0,1,0,0,0,0|2,0,0]=3 3716 B14R0.181 CCCCCCCNCC(=O)N(C)OC 2230a_100000229938_100000764215 [0,1,0,0,0,0|3,0,0]=4 3717 B14R0.181 CCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210681 [0,1,0,0,0,0|3,0,0]=4 3718 B14R0.181 CCCCCCCOCC(=O)C(=O)OC 34a_100000210272_100011610305 [0,1,0,0,0,0|3,0,0]=4 3719 B14R0.181 CCCCCCCOCC(=O)N(C)CC 34a_100000210272_100000738999 [0,1,0,0,0,0|2,0,0]=3 3720 B14R0.181 CCCCCCCOCC(=O)N(C)CC 7a_100000210272_100000738999 [0,1,0,0,0,0|2,0,0]=3 3721 B14R0.181 CCCCCCCOCC(=O)N(C)OC 7a_100000210272_100000764215 [0,1,0,0,0,0|3,0,0]=4 3722 B14R0.181 CCCCCCCSCC(=O)C(=O)OC 62a_100000210614_100011610305 [0,1,0,0,0,0|3,0,0]=4 3723 B14R0.181 CCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210316 [0,1,0,0,0,0|3,0,0]=4 3724 B14R0.181 CCCCCCCSCC(=O)N(C)CC 62a_100000210614_100000738999 [0,1,0,0,0,0|2,0,0]=3 3725 B14R0.181 CCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210316 [0,1,0,0,0,0|2,0,0]=3 3726 B14R0.181 CCCCCCCSCC(=O)N(C)OC 62a_100000210614_100000764215 [0,1,0,0,0,0|3,0,0]=4 3727 B14R0.181 CCCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210316 [0,1,0,0,0,0|3,0,0]=4 3728 B14R0.181 CCCCCOCCCC(=O)N(C)OC 7a_100000210253_100011842776 [0,1,0,0,0,0|3,0,0]=4 3729 B14R0.181 CCCCCSCCCC(=O)N(C)OC 62a_100000210326_100011842776 [0,1,0,0,0,0|3,0,0]=4 3730 B14R0.181 CCCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210326 [0,1,0,0,0,0|3,0,0]=4 3731 B14R0.181 CCCCOCCCNC(=O)C(C)CC 1626a_200000211371_100011192722 [0,1,0,0,0,0|3,0,0]=4 3732 B14R0.181 CCCCOCCCNC(=O)C(C)CC 240690a_200000211371_100011192722 [0,1,0,0,0,0|3,0,0]=4 3733 B14R0.181 CCCCOCCCNC(=O)C(C)CC 527a_200000211371_100011192722 [0,1,0,0,0,0|3,0,0]=4 3734 B14R0.181 CCCCOCCCNC(=O)C(O)CC 240690a_200000211371_100011196387 [0,1,0,0,0,0|3,0,0]=4 3735 B14R0.181 CCCCOCCCNC(=O)N(C)CC 2708a_200000211371_100000225621 [0,1,0,0,0,0|3,0,0]=4 3736 B14R0.181 CCCCOCCCNC(=O)N(C)CC 273464a_200000211371_100000225621 [0,1,0,0,0,0|3,0,0]=4 3737 B14R0.181 CCCCOCCOCC(=O)C(C)CC 1458a_100011216887_100000758301 [0,1,0,0,0,0|3,0,0]=4 3738 B14R0.181 CCCCOCCOCC(=O)N(C)CC 11a_100000225621_100011216887 [0,1,0,0,0,0|3,0,0]=4 3739 B14R0.181 CCCCOCCOCC(=O)N(C)CC 1626a_100000225621_100011216887 [0,1,0,0,0,0|3,0,0]=4 3740 B14R0.181 CCCCOCCOCC(=O)N(C)CC 240690a_100000225621_100011216887 [0,1,0,0,0,0|3,0,0]=4 3741 B14R0.181 CCCCOCCOCC(=O)N(C)CC 34a_100000210238_100000738999 [0,1,0,0,0,0|3,0,0]=4 3742 B14R0.181 CCCCOCCOCC(=O)N(C)CC 527a_100000225621_100011216887 [0,1,0,0,0,0|3,0,0]=4 3743 B14R0.181 CCCCOCCOCC(=O)N(C)CC 7a_100000210238_100000738999 [0,1,0,0,0,0|3,0,0]=4 3744 B14R0.181 CCCCOCCSCC(=O)N(C)CC 62a_100000738999_100000743108 [0,1,0,0,0,0|3,0,0]=4 3745 B14R0.181 CCCCOCCSCC(=O)N(C)CC 62a_100000743108_100000738999 [0,1,0,0,0,0|3,0,0]=4 3746 B14R0.181 CCCCSCCNCC(=O)N(C)CC 2230a_100025743550_100000738999 [0,1,0,0,0,0|3,0,0]=4 3747 B14R0.181 CCCCSCCOCC(=O)N(C)CC 34a_200000230436_100000738999 [0,1,0,0,0,0|3,0,0]=4 3748 B14R0.181 CCCCSCCOCC(=O)N(C)CC 7a_200000230436_100000738999 [0,1,0,0,0,0|3,0,0]=4 3749 B14R0.181 CCCOCCCNCC(=O)N(C)CC 2230a_100011217757_100000738999 [0,1,0,0,0,0|3,0,0]=4 3750 B14R0.181 CCCOCCCNCC(=O)N(C)CC 34a_100011217757_100000738999 [0,1,0,0,0,0|3,0,0]=4 3751 B14R0.181 CCN(C)C(=O)CCCCCCCCO 240690a_100000225621_100000015970 [0,1,0,0,0,0|2,0,0]=3 3752 B14R0.181 CCN(C)C(=O)CNCCCCCCO 2230a_100000686447_100000738999 [0,1,0,0,0,0|3,0,0]=4 3753 B14R0.181 CCN(C)C(=O)CNCCCCCCO 34a_100000686447_100000738999 [0,1,0,0,0,0|3,0,0]=4 3754 B14R0.181 CCN(C)C(=O)CNCCCCCOC 2230a_100000747528_100000738999 [0,1,0,0,0,0|3,0,0]=4 3755 B14R0.181 CCN(C)C(=O)CNCCCCCOC 34a_100000747528_100000738999 [0,1,0,0,0,0|3,0,0]=4 3756 B14R0.181 CCN(C)C(=O)COCCCCCCBr 34a_100011215345_100000738999 [0,1,0,0,0,0|3,0,0]=4 3757 B14R0.181 CCN(C)C(=O)COCCCCCCBr 7a_100011215345_100000738999 [0,1,0,0,0,0|3,0,0]=4 3758 B14R0.181 CCN(C)C(=O)COCCCCCCCl 34a_100000766143_100000738999 [0,1,0,0,0,0|3,0,0]=4 3759 B14R0.181 CCN(C)C(=O)COCCCCCCCl 7a_100000766143_100000738999 [0,1,0,0,0,0|3,0,0]=4 3760 B14R0.181 CCN(C)C(=O)COCCCCCCF 34a_100000732779_100000738999 [0,1,0,0,0,0|3,0,0]=4 3761 B14R0.181 CCN(C)C(=O)COCCCCCCF 7a_100000732779_100000738999 [0,1,0,0,0,0|3,0,0]=4 3762 B14R0.181 CCN(C)C(=O)COCCCCCCN 34a_100000686447_100000738999 [0,1,0,0,0,0|3,0,0]=4 3763 B14R0.181 CCN(C)C(=O)COCCCCCNC 34a_100000722520_100000738999 [0,1,0,0,0,0|3,0,0]=4 3764 B14R0.181 CCN(C)C(=O)CSCCCCCCF 62a_100000738999_100015922095 [0,1,0,0,0,0|3,0,0]=4 3765 B14R0.181 CCN(C)C(=O)CSCCCCCCF 62a_100015922095_100000738999 [0,1,0,0,0,0|3,0,0]=4 3766 B14R0.181 CCN(C)C(=O)CSCCCCCCO 62a_100000738999_100000766143 [0,1,0,0,0,0|3,0,0]=4 3767 B14R0.181 CCN(C)C(=O)CSCCCCCCO 62a_100000766143_100000738999 [0,1,0,0,0,0|3,0,0]=4 3768 B14R0.181 CCN(C)C(=O)NCCCCCCCO 2708a_100011996573_100000225621 [0,1,0,0,0,0|3,0,0]=4 3769 B14R0.181 CCN(C)C(=O)NCCCCCCCO 273464a_100011996573_100000225621 [0,1,0,0,0,0|3,0,0]=4 3770 B14R0.181 CNC(=O)C(=O)CCCCCCCCO 1458a_100011218921_100000033203 [0,1,0,0,0,0|3,0,0]=4 3771 B14R0.181 COC(C)C(=O)CCCCCCCCO 1458a_100000743197_100000033203 [0,1,0,0,0,0|3,0,0]=4 3772 B14R0.181 CSC(C)C(=O)CCCCCCCCO 1458a_100000149566_100000033203 [0,1,0,0,0,0|3,0,0]=4 3773 B14R0.181 O=C(CCCCCCCCO)C(O)CO 1458a_100011215603_100000033203 [0,1,0,0,0,0|3,0,0]=4 3774 B14R0.199 C#CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100010269958 [0,1,0,0,0,0|0,0,3]=4 3775 B14R0.199 C#CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100010269958 [0,1,0,0,0,0|1,0,2]=4 3776 B14R0.199 C#CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100010269958 [0,1,0,0,0,0|1,0,2]=4 3777 B14R0.199 C#CCCCNC(C)CCC(=O)OCC 34a_100000718082_100000748298 [0,1,0,0,0,0|1,0,2]=4 3778 B14R0.199 C#CCCCOC(C)CCC(=O)OCC 34a_100000215630_100000748298 [0,1,0,0,0,0|1,0,2]=4 3779 B14R0.199 C#CCCCOC(C)CCC(=O)OCC 7a_100000215630_100000748298 [0,1,0,0,0,0|1,0,2]=4 3780 B14R0.199 C#CCCCSC(C)CCC(=O)OCC 62a_100000748298_100011215417 [0,1,0,0,0,0|1,0,2]=4 3781 B14R0.199 C#CCCCSC(C)CCC(=O)OCC 62a_100011215417_100000748298 [0,1,0,0,0,0|1,0,2]=4 3782 B14R0.199 C/C=C/CCOC(C)CCC(=O)OCC 34a_100016278192_100000748298 [0,1,0,0,0,0|1,0,2]=4 3783 B14R0.199 C=CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215482 [0,1,0,0,0,0|0,0,3]=4 3784 B14R0.199 C=CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100011215482 [0,1,0,0,0,0|1,0,2]=4 3785 B14R0.199 C=CCCCCN(C)CCC(=O)OCC 2230a_100012000471_100011206558 [0,1,0,0,0,0|1,0,2]=4 3786 B14R0.199 C=CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100011215482 [0,1,0,0,0,0|1,0,2]=4 3787 B14R0.199 C=CCCCCN(C)CCC(=O)OCC 269982a_100012000471_100011206558 [0,1,0,0,0,0|1,0,2]=4 3788 B14R0.199 C=CCCCNC(C)CCC(=O)OCC 2230a_100000700776_100000748298 [0,1,0,0,0,0|1,0,2]=4 3789 B14R0.199 C=CCCCNC(C)CCC(=O)OCC 34a_100000700776_100000748298 [0,1,0,0,0,0|1,0,2]=4 3790 B14R0.199 C=CCCCOC(C)CCC(=O)OCC 34a_100000758997_100000748298 [0,1,0,0,0,0|1,0,2]=4 3791 B14R0.199 C=CCCCOC(C)CCC(=O)OCC 7a_100000758997_100000748298 [0,1,0,0,0,0|1,0,2]=4 3792 B14R0.199 C=CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000757094 [0,1,0,0,0,0|1,0,2]=4 3793 B14R0.199 C=CCCCSC(C)CCC(=O)OCC 62a_100011713584_100000748298 [0,1,0,0,0,0|1,0,2]=4 3794 B14R0.199 C=COC(=O)CNC(C)CCCCCC 2230a_100000210919_100000036128 [0,1,0,0,0,0|1,0,2]=4 3795 B14R0.199 C=COC(=O)CNC(C)CCCCCC 34a_100000210919_100000036128 [0,1,0,0,0,0|1,0,2]=4 3796 B14R0.199 C=COC(=O)COC(C)CCCCCC 34a_100000210265_100000036128 [0,1,0,0,0,0|1,0,2]=4 3797 B14R0.199 C=COC(=O)CSC(C)CCCCCC 62a_100000036128_100011215978 [0,1,0,0,0,0|1,0,2]=4 3798 B14R0.199 C=COC(=O)CSC(C)CCCCCC 62a_100011215978_100000036128 [0,1,0,0,0,0|1,0,2]=4 3799 B14R0.199 CC#CCCOC(C)CCC(=O)OCC 34a_100000750427_100000748298 [0,1,0,0,0,0|1,0,2]=4 3800 B14R0.199 CC/C=C\CCC(=O)CCC(=O)OCC 1458a_100000183558_100015370543 [0,1,0,0,0,0|0,0,3]=4 3801 B14R0.199 CC/C=C\CCN(C)CCC(=O)OCC 2230a_100000745921_100015370543 [0,1,0,0,0,0|1,0,2]=4 3802 B14R0.199 CC/C=C\CCN(C)CCC(=O)OCC 269982a_100000745921_100015370543 [0,1,0,0,0,0|1,0,2]=4 3803 B14R0.199 CC/C=C\COC(C)CCC(=O)OCC 34a_100016268518_100000748298 [0,1,0,0,0,0|1,0,2]=4 3804 B14R0.199 CC/C=C\CSC(C)CCC(=O)OCC 62a_100000748298_100103147603 [0,1,0,0,0,0|1,0,2]=4 3805 B14R0.199 CC/C=C\CSC(C)CCC(=O)OCC 62a_100103147603_100000748298 [0,1,0,0,0,0|1,0,2]=4 3806 B14R0.199 CCC#CCOC(C)CCC(=O)OCC 34a_100000032950_100000748298 [0,1,0,0,0,0|1,0,2]=4 3807 B14R0.199 CCC#CCSC(C)CCC(=O)OCC 62a_100000748298_100009813939 [0,1,0,0,0,0|1,0,2]=4 3808 B14R0.199 CCC#CCSC(C)CCC(=O)OCC 62a_100009813939_100000748298 [0,1,0,0,0,0|1,0,2]=4 3809 B14R0.199 CCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210757 [0,1,0,0,0,0|0,0,3]=4 3810 B14R0.199 CCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210757 [0,1,0,0,0,0|1,0,1]=3 3811 B14R0.199 CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210757 [0,1,0,0,0,0|0,0,1]=2 3812 B14R0.199 CCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210757 [0,1,0,0,0,0|1,0,1]=3 3813 B14R0.199 CCCCCCC(=O)COC(=O)CCC 1458a_100102632555_100000034017 [0,1,0,0,0,0|2,0,1]=4 3814 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100102632555 [0,1,0,0,0,0|2,0,1]=4 3815 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100102632555 [0,1,0,0,0,0|2,0,1]=4 3816 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100102632555 [0,1,0,0,0,0|2,0,1]=4 3817 B14R0.199 CCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100102632555 [0,1,0,0,0,0|2,0,1]=4 3818 B14R0.199 CCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100102632555 [0,1,0,0,0,0|1,0,1]=3 3819 B14R0.199 CCCCCCC(C)NCC(=O)CCC 2230a_100000210919_100000747444 [0,1,0,0,0,0|2,0,0]=3 3820 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100000210919_100000183381 [0,1,0,0,0,0|2,0,0]=3 3821 B14R0.199 CCCCCCC(C)NCC(=O)NCC 2230a_100016988866_100011215978 [0,1,0,0,0,0|2,0,0]=3 3822 B14R0.199 CCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210826 [0,1,0,0,0,0|2,0,0]=3 3823 B14R0.199 CCCCCCC(C)NCC(=O)NCC 34a_100000210919_100000183381 [0,1,0,0,0,0|2,0,0]=3 3824 B14R0.199 CCCCCCC(C)NCC(=O)NCO 2230a_100000210919_100000185155 [0,1,0,0,0,0|3,0,0]=4 3825 B14R0.199 CCCCCCC(C)NCC(=O)NCO 34a_100000210919_100000185155 [0,1,0,0,0,0|3,0,0]=4 3826 B14R0.199 CCCCCCC(C)NCC(=O)OCC 2230a_100000210919_100000188475 [0,1,0,0,0,0|1,0,0]=2 3827 B14R0.199 CCCCCCC(C)NCC(=O)OCC 34a_100000210919_100000188475 [0,1,0,0,0,0|1,0,0]=2 3828 B14R0.199 CCCCCCC(C)OCC(=O)CCC 7a_100000210265_100000747444 [0,1,0,0,0,0|2,0,0]=3 3829 B14R0.199 CCCCCCC(C)OCC(=O)NCC 34a_100000210265_100000183381 [0,1,0,0,0,0|2,0,0]=3 3830 B14R0.199 CCCCCCC(C)OCC(=O)NCC 7a_100000210265_100000183381 [0,1,0,0,0,0|2,0,0]=3 3831 B14R0.199 CCCCCCC(C)OCC(=O)NCO 34a_100000210265_100000185155 [0,1,0,0,0,0|3,0,0]=4 3832 B14R0.199 CCCCCCC(C)OCC(=O)NCO 7a_100000210265_100000185155 [0,1,0,0,0,0|3,0,0]=4 3833 B14R0.199 CCCCCCC(C)OCC(=O)OCC 34a_100000210265_100000188475 [0,1,0,0,0,0|1,0,0]=2 3834 B14R0.199 CCCCCCC(C)OCC(=O)OCC 7a_100000210265_100000188475 [0,1,0,0,0,0|1,0,0]=2 3835 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100000747444_100011215978 [0,1,0,0,0,0|2,0,0]=3 3836 B14R0.199 CCCCCCC(C)SCC(=O)CCC 62a_100011215978_100000747444 [0,1,0,0,0,0|2,0,0]=3 3837 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100000183381_100011215978 [0,1,0,0,0,0|2,0,0]=3 3838 B14R0.199 CCCCCCC(C)SCC(=O)NCC 62a_100011215978_100000183381 [0,1,0,0,0,0|2,0,0]=3 3839 B14R0.199 CCCCCCC(C)SCC(=O)NCO 62a_100000185155_100011215978 [0,1,0,0,0,0|3,0,0]=4 3840 B14R0.199 CCCCCCC(C)SCC(=O)NCO 62a_100011215978_100000185155 [0,1,0,0,0,0|3,0,0]=4 3841 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100000188475_100011215978 [0,1,0,0,0,0|1,0,0]=2 3842 B14R0.199 CCCCCCC(C)SCC(=O)OCC 62a_100011215978_100000188475 [0,1,0,0,0,0|1,0,0]=2 3843 B14R0.199 CCCCCCN(C)CCC(=O)NCC 2230a_106256046315_100000737597 [0,1,0,0,0,0|2,0,0]=3 3844 B14R0.199 CCCCCCN(C)CCC(=O)NCC 269982a_106256046315_100000737597 [0,1,0,0,0,0|2,0,0]=3 3845 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210314 [0,1,0,0,0,0|1,0,0]=2 3846 B14R0.199 CCCCCCN(C)CCC(=O)OCC 2230a_106256046315_100011206558 [0,1,0,0,0,0|1,0,0]=2 3847 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210757 [0,1,0,0,0,0|1,0,0]=2 3848 B14R0.199 CCCCCCN(C)CCC(=O)OCC 269982a_106256046315_100011206558 [0,1,0,0,0,0|1,0,0]=2 3849 B14R0.199 CCCCCCN(C)COC(=O)CCC 2230a_106256046315_100000034017 [0,1,0,0,0,0|3,0,0]=4 3850 B14R0.199 CCCCCCN(C)COC(=O)CCC 269982a_106256046315_100000034017 [0,1,0,0,0,0|3,0,0]=4 3851 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 11a_100000209983_100000199579 [0,1,0,0,0,0|2,0,1]=4 3852 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 1626a_100000209983_100000199579 [0,1,0,0,0,0|2,0,1]=4 3853 B14R0.199 CCCCCNC(=O)CCC(=O)NCC 240690a_100000209983_100000199579 [0,1,0,0,0,0|2,0,1]=4 3854 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 11a_100000209983_100000183558 [0,1,0,0,0,0|1,0,1]=3 3855 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 1626a_100000209983_100000183558 [0,1,0,0,0,0|1,0,1]=3 3856 B14R0.199 CCCCCNC(=O)CCC(=O)OCC 240690a_100000209983_100000183558 [0,1,0,0,0,0|1,0,1]=3 3857 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 11a_100000209983_100000190774 [0,1,0,0,0,0|2,0,1]=4 3858 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 1626a_100000209983_100000190774 [0,1,0,0,0,0|2,0,1]=4 3859 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 240690a_100000209983_100000190774 [0,1,0,0,0,0|2,0,1]=4 3860 B14R0.199 CCCCCNC(=O)CNC(=O)OCC 527a_100000209983_100000190774 [0,1,0,0,0,0|2,0,1]=4 3861 B14R0.199 CCCCCNC(C)CCC(=O)OCC 2230a_100000209983_100000748298 [0,1,0,0,0,0|1,0,0]=2 3862 B14R0.199 CCCCCOC(C)CCC(=O)OCC 34a_100000210253_100000748298 [0,1,0,0,0,0|1,0,0]=2 3863 B14R0.199 CCCCCOC(C)CCC(=O)OCC 7a_100000210253_100000748298 [0,1,0,0,0,0|1,0,0]=2 3864 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000210326_100000748298 [0,1,0,0,0,0|1,0,0]=2 3865 B14R0.199 CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210326 [0,1,0,0,0,0|1,0,0]=2 3866 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 2230a_100000102301_100011215850 [0,1,0,0,0,0|2,0,1]=4 3867 B14R0.199 CCCCNCC(=O)NCC(=O)OCC 7a_106832991798_100011215850 [0,1,0,0,0,0|2,0,1]=4 3868 B14R0.199 CCCCNN=C(C)CCC(=O)OCC 4a_100025702795_100011212338 [0,1,0,0,0,0|2,0,1]=4 3869 B14R0.199 CCCCOCC(=O)CCC(=O)NCC 1458a_100000199579_100011995733 [0,1,0,0,0,0|2,0,1]=4 3870 B14R0.199 CCCCOCC(=O)CCC(=O)OCC 1458a_100000183558_100011995733 [0,1,0,0,0,0|1,0,1]=3 3871 B14R0.199 CCCCOCC(=O)CNC(=O)OCC 1458a_100000190774_100011995733 [0,1,0,0,0,0|2,0,1]=4 3872 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 188690a_100000741813_100000757543 [0,1,0,0,0,0|2,0,1]=4 3873 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 34a_100000210227_100011215850 [0,1,0,0,0,0|2,0,1]=4 3874 B14R0.199 CCCCOCC(=O)NCC(=O)OCC 7a_100000210227_100011215850 [0,1,0,0,0,0|2,0,1]=4 3875 B14R0.199 CCCCOCC(C)OCC(=O)CCC 7a_100011217071_100000747444 [0,1,0,0,0,0|3,0,0]=4 3876 B14R0.199 CCCCOCC(C)OCC(=O)NCC 34a_100011217071_100000183381 [0,1,0,0,0,0|3,0,0]=4 3877 B14R0.199 CCCCOCC(C)OCC(=O)NCC 7a_100011217071_100000183381 [0,1,0,0,0,0|3,0,0]=4 3878 B14R0.199 CCCCOCC(C)OCC(=O)OCC 34a_100011217071_100000188475 [0,1,0,0,0,0|2,0,0]=3 3879 B14R0.199 CCCCOCC(C)OCC(=O)OCC 7a_100011217071_100000188475 [0,1,0,0,0,0|2,0,0]=3 3880 B14R0.199 CCCCOCN(C)CCC(=O)OCC 2230a_100000745921_100011995733 [0,1,0,0,0,0|2,0,0]=3 3881 B14R0.199 CCCCOCN(C)CCC(=O)OCC 269982a_100000745921_100011995733 [0,1,0,0,0,0|2,0,0]=3 3882 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 188690a_100000741813_100000191162 [0,1,0,0,0,0|2,0,1]=4 3883 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100000210211_100011215850 [0,1,0,0,0,0|2,0,1]=4 3884 B14R0.199 CCCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210210 [0,1,0,0,0,0|2,0,1]=4 3885 B14R0.199 CCCOCCC(=O)CCC(=O)NCC 1458a_100000199579_100011215938 [0,1,0,0,0,0|2,0,1]=4 3886 B14R0.199 CCCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215938 [0,1,0,0,0,0|1,0,1]=3 3887 B14R0.199 CCCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100011215938 [0,1,0,0,0,0|2,0,1]=4 3888 B14R0.199 CCCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215938 [0,1,0,0,0,0|2,0,0]=3 3889 B14R0.199 CCCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215938 [0,1,0,0,0,0|2,0,0]=3 3890 B14R0.199 CCNC(=O)CCC(=O)CCCCCF 1458a_100000199579_100000729378 [0,1,0,0,0,0|2,0,1]=4 3891 B14R0.199 CCNC(=O)CCC(=O)CCCCCO 1458a_100000199579_100000746330 [0,1,0,0,0,0|2,0,1]=4 3892 B14R0.199 CCNC(=O)CCC(=O)CCCCOC 1458a_100000199579_100000755781 [0,1,0,0,0,0|2,0,1]=4 3893 B14R0.199 CCNC(=O)CCC(=O)CCCOCC 1458a_100000199579_100012232248 [0,1,0,0,0,0|2,0,1]=4 3894 B14R0.199 CCNC(=O)CCN(C)CCCCCO 2230a_100000722520_100000737597 [0,1,0,0,0,0|3,0,0]=4 3895 B14R0.199 CCNC(=O)CCN(C)CCCCCO 269982a_100000722520_100000737597 [0,1,0,0,0,0|3,0,0]=4 3896 B14R0.199 CCOC(=O)CCC(=O)CCCCC#N 1458a_100000183558_100000211819 [0,1,0,0,0,0|1,0,2]=4 3897 B14R0.199 CCOC(=O)CCC(=O)CCCCCF 1458a_100000183558_100000729378 [0,1,0,0,0,0|1,0,1]=3 3898 B14R0.199 CCOC(=O)CCC(=O)CCCCCO 1458a_100000183558_100000746330 [0,1,0,0,0,0|1,0,1]=3 3899 B14R0.199 CCOC(=O)CCC(=O)CCCCOC 1458a_100000183558_100000755781 [0,1,0,0,0,0|1,0,1]=3 3900 B14R0.199 CCOC(=O)CCC(=O)CCOCCO 1458a_100000183558_100011215305 [0,1,0,0,0,0|2,0,1]=4 3901 B14R0.199 CCOC(=O)CCC(=O)NCCCCO 240690a_100000750430_100000183558 [0,1,0,0,0,0|2,0,1]=4 3902 B14R0.199 CCOC(=O)CCC(=O)NCCCOC 1626a_100150723488_100000183558 [0,1,0,0,0,0|2,0,1]=4 3903 B14R0.199 CCOC(=O)CCC(=O)NCCCOC 240690a_100150723488_100000183558 [0,1,0,0,0,0|2,0,1]=4 3904 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 11a_100000749238_100000183558 [0,1,0,0,0,0|2,0,1]=4 3905 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 1626a_100000749238_100000183558 [0,1,0,0,0,0|2,0,1]=4 3906 B14R0.199 CCOC(=O)CCC(=O)NCCCSC 240690a_100000749238_100000183558 [0,1,0,0,0,0|2,0,1]=4 3907 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 11a_100000106463_100000183558 [0,1,0,0,0,0|2,0,1]=4 3908 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 1626a_100000106463_100000183558 [0,1,0,0,0,0|2,0,1]=4 3909 B14R0.199 CCOC(=O)CCC(=O)NCCSCC 240690a_100000106463_100000183558 [0,1,0,0,0,0|2,0,1]=4 3910 B14R0.199 CCOC(=O)CCC(C)NCCCCO 2230a_100000750430_100000748298 [0,1,0,0,0,0|2,0,0]=3 3911 B14R0.199 CCOC(=O)CCC(C)NCCCCO 34a_100000750430_100000748298 [0,1,0,0,0,0|2,0,0]=3 3912 B14R0.199 CCOC(=O)CCC(C)NCCCOC 34a_100150723488_100000748298 [0,1,0,0,0,0|2,0,0]=3 3913 B14R0.199 CCOC(=O)CCC(C)NCCCSC 2230a_100000749238_100000748298 [0,1,0,0,0,0|2,0,0]=3 3914 B14R0.199 CCOC(=O)CCC(C)NCCSCC 2230a_100000106463_100000748298 [0,1,0,0,0,0|2,0,0]=3 3915 B14R0.199 CCOC(=O)CCC(C)OCCCCBr 34a_100011216708_100000748298 [0,1,0,0,0,0|2,0,0]=3 3916 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 34a_100000210776_100000748298 [0,1,0,0,0,0|2,0,0]=3 3917 B14R0.199 CCOC(=O)CCC(C)OCCCCCl 7a_100000210776_100000748298 [0,1,0,0,0,0|2,0,0]=3 3918 B14R0.199 CCOC(=O)CCC(C)OCCCCF 34a_100011995726_100000748298 [0,1,0,0,0,0|2,0,0]=3 3919 B14R0.199 CCOC(=O)CCC(C)OCCCCF 7a_100011995726_100000748298 [0,1,0,0,0,0|2,0,0]=3 3920 B14R0.199 CCOC(=O)CCC(C)OCCCCI 34a_200012148704_100000748298 [0,1,0,0,0,0|2,0,0]=3 3921 B14R0.199 CCOC(=O)CCC(C)OCCCCN 34a_100000750430_100000748298 [0,1,0,0,0,0|2,0,0]=3 3922 B14R0.199 CCOC(=O)CCC(C)OCCCNC 34a_100000213112_100000748298 [0,1,0,0,0,0|2,0,0]=3 3923 B14R0.199 CCOC(=O)CCC(C)OCCCOC 34a_100000740835_100000748298 [0,1,0,0,0,0|2,0,0]=3 3924 B14R0.199 CCOC(=O)CCC(C)OCCCSC 34a_100000690336_100000748298 [0,1,0,0,0,0|2,0,0]=3 3925 B14R0.199 CCOC(=O)CCC(C)OCCCSC 7a_100000690336_100000748298 [0,1,0,0,0,0|2,0,0]=3 3926 B14R0.199 CCOC(=O)CCC(C)OCCSCC 34a_100000212035_100000748298 [0,1,0,0,0,0|2,0,0]=3 3927 B14R0.199 CCOC(=O)CCC(C)OCCSCC 7a_100000212035_100000748298 [0,1,0,0,0,0|2,0,0]=3 3928 B14R0.199 CCOC(=O)CCC(C)SCCCC#N 62a_100000687738_100000748298 [0,1,0,0,0,0|2,0,1]=4 3929 B14R0.199 CCOC(=O)CCC(C)SCCCC#N 62a_100000748298_100000687738 [0,1,0,0,0,0|2,0,1]=4 3930 B14R0.199 CCOC(=O)CCC(C)SCCCC=O 62a_100000748298_200011292268 [0,1,0,0,0,0|2,0,1]=4 3931 B14R0.199 CCOC(=O)CCC(C)SCCCC=O 62a_200011292268_100000748298 [0,1,0,0,0,0|2,0,1]=4 3932 B14R0.199 CCOC(=O)CCC(C)SCCCCF 62a_100000729493_100000748298 [0,1,0,0,0,0|2,0,0]=3 3933 B14R0.199 CCOC(=O)CCC(C)SCCCCF 62a_100000748298_100000729493 [0,1,0,0,0,0|2,0,0]=3 3934 B14R0.199 CCOC(=O)CCC(C)SCCCCO 62a_100000210776_100000748298 [0,1,0,0,0,0|2,0,0]=3 3935 B14R0.199 CCOC(=O)CCC(C)SCCCCO 62a_100000748298_100000210776 [0,1,0,0,0,0|2,0,0]=3 3936 B14R0.199 CCOC(=O)CCC(C)SCCCOC 62a_100000709357_100000748298 [0,1,0,0,0,0|2,0,0]=3 3937 B14R0.199 CCOC(=O)CCC(C)SCCCOC 62a_100000748298_100000709357 [0,1,0,0,0,0|2,0,0]=3 3938 B14R0.199 CCOC(=O)CCC(C)SCCSCC 62a_100000748298_100000757381 [0,1,0,0,0,0|2,0,0]=3 3939 B14R0.199 CCOC(=O)CCC(C)SCCSCC 62a_100000757381_100000748298 [0,1,0,0,0,0|2,0,0]=3 3940 B14R0.199 CCOC(=O)CCN(C)CCCCC#N 2230a_100000745921_100000211819 [0,1,0,0,0,0|2,0,1]=4 3941 B14R0.199 CCOC(=O)CCN(C)CCCCC#N 269982a_100000745921_100011219923 [0,1,0,0,0,0|2,0,1]=4 3942 B14R0.199 CCOC(=O)CCN(C)CCCCC=O 2230a_100000745921_100000139335 [0,1,0,0,0,0|2,0,1]=4 3943 B14R0.199 CCOC(=O)CCN(C)CCCCC=O 269982a_100000745921_100000139335 [0,1,0,0,0,0|2,0,1]=4 3944 B14R0.199 CCOC(=O)CCN(C)CCCCCF 2230a_100000745921_100000729378 [0,1,0,0,0,0|2,0,0]=3 3945 B14R0.199 CCOC(=O)CCN(C)CCCCCF 269982a_100000745921_100000729378 [0,1,0,0,0,0|2,0,0]=3 3946 B14R0.199 CCOC(=O)CCN(C)CCCCCO 2230a_100000722520_100011206558 [0,1,0,0,0,0|2,0,0]=3 3947 B14R0.199 CCOC(=O)CCN(C)CCCCCO 2230a_100000745921_100000746330 [0,1,0,0,0,0|2,0,0]=3 3948 B14R0.199 CCOC(=O)CCN(C)CCCCCO 269982a_100000722520_100011206558 [0,1,0,0,0,0|2,0,0]=3 3949 B14R0.199 CCOC(=O)CCN(C)CCCCCO 269982a_100000745921_100000746330 [0,1,0,0,0,0|2,0,0]=3 3950 B14R0.199 CCOC(=O)CCN(C)CCCCOC 2230a_100000745921_100000730899 [0,1,0,0,0,0|2,0,0]=3 3951 B14R0.199 CCOC(=O)CCN(C)CCCCOC 269982a_100000745921_100000730899 [0,1,0,0,0,0|2,0,0]=3 3952 B14R0.199 CCOC(=O)CCN(C)CCOCCO 2230a_100000228057_100011206558 [0,1,0,0,0,0|3,0,0]=4 3953 B14R0.199 CCOC(=O)CCN(C)CCOCCO 2230a_100000745921_100011215305 [0,1,0,0,0,0|3,0,0]=4 3954 B14R0.199 CCOC(=O)CCN(C)CCOCCO 269982a_100000228057_100011206558 [0,1,0,0,0,0|3,0,0]=4 3955 B14R0.199 CCOC(=O)CCN(C)CCOCCO 269982a_100000745921_100011215305 [0,1,0,0,0,0|3,0,0]=4 3956 B14R0.199 CCOC(=O)CCN(C)COCCOC 2230a_100000745921_100000231047 [0,1,0,0,0,0|3,0,0]=4 3957 B14R0.199 CCOC(=O)CCN(C)COCCOC 269982a_100000745921_100000231047 [0,1,0,0,0,0|3,0,0]=4 3958 B14R0.199 CCOC(=O)CNC(=O)CCCCCO 188690a_100000741813_100102619762 [0,1,0,0,0,0|2,0,1]=4 3959 B14R0.199 CCOC(=O)NCC(=O)CCCCCF 1458a_100000190774_100000729378 [0,1,0,0,0,0|2,0,1]=4 3960 B14R0.199 CCOC(=O)NCC(=O)CCCCCO 1458a_100000190774_100000746330 [0,1,0,0,0,0|2,0,1]=4 3961 B14R0.199 CCOC(=O)NCC(=O)CCCCOC 1458a_100000190774_100000755781 [0,1,0,0,0,0|2,0,1]=4 3962 B14R0.199 CCOCCCC(=O)CCC(=O)OCC 1458a_100000183558_100012232248 [0,1,0,0,0,0|1,0,1]=3 3963 B14R0.199 CCOCCCC(=O)CNC(=O)OCC 1458a_100000190774_100012232248 [0,1,0,0,0,0|2,0,1]=4 3964 B14R0.199 CCOCCCN(C)CCC(=O)OCC 2230a_100000745921_100012232248 [0,1,0,0,0,0|2,0,0]=3 3965 B14R0.199 CCOCCCN(C)CCC(=O)OCC 269982a_100000745921_100012232248 [0,1,0,0,0,0|2,0,0]=3 3966 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 11a_100011200944_100000183558 [0,1,0,0,0,0|2,0,1]=4 3967 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 1626a_102516460346_100000183558 [0,1,0,0,0,0|2,0,1]=4 3968 B14R0.199 CCOCCNC(=O)CCC(=O)OCC 240690a_100011200944_100000183558 [0,1,0,0,0,0|2,0,1]=4 3969 B14R0.199 CCOCCNC(C)CCC(=O)OCC 2230a_102516460346_100000748298 [0,1,0,0,0,0|2,0,0]=3 3970 B14R0.199 CCOCCNC(C)CCC(=O)OCC 34a_102516460346_100000748298 [0,1,0,0,0,0|2,0,0]=3 3971 B14R0.199 CCOCCOC(C)CCC(=O)OCC 34a_100000210136_100000748298 [0,1,0,0,0,0|2,0,0]=3 3972 B14R0.199 CCOCCOC(C)CCC(=O)OCC 7a_100000210136_100000748298 [0,1,0,0,0,0|2,0,0]=3 3973 B14R0.199 CCOCCSC(C)CCC(=O)OCC 62a_100000210147_100000748298 [0,1,0,0,0,0|2,0,0]=3 3974 B14R0.199 CCOCCSC(C)CCC(=O)OCC 62a_100000748298_100011215890 [0,1,0,0,0,0|2,0,0]=3 3975 B14R0.391 C#CCCCCCCCC(=O)CC(C)C 1458a_100000087357_100000210624 [0,1,0,0,0,0|1,0,2]=4 3976 B14R0.391 C#CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100153394163 [0,1,0,0,0,0|1,0,2]=4 3977 B14R0.391 C#CCCCCCCCC(=O)CC(C)O 1458a_100000087357_100011218427 [0,1,0,0,0,0|1,0,2]=4 3978 B14R0.391 C#CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100153394163 [0,1,0,0,0,0|1,0,2]=4 3979 B14R0.391 C#CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000087357 [0,1,0,0,0,0|1,0,2]=4 3980 B14R0.391 C#CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000087357 [0,1,0,0,0,0|1,0,2]=4 3981 B14R0.391 C#CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000087357 [0,1,0,0,0,0|1,0,2]=4 3982 B14R0.391 C#CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000087357 [0,1,0,0,0,0|1,0,2]=4 3983 B14R0.391 C#CCCCCCOCC(=O)OC(C)C 34a_100000766912_100011215430 [0,1,0,0,0,0|1,0,2]=4 3984 B14R0.391 C#CCCCCCOCC(=O)OC(C)C 7a_100000766912_100011215430 [0,1,0,0,0,0|1,0,2]=4 3985 B14R0.391 C#CCCCCCSCC(=O)OC(C)C 62a_100011215430_100012094781 [0,1,0,0,0,0|1,0,2]=4 3986 B14R0.391 C#CCCCCCSCC(=O)OC(C)C 62a_100012094781_100011215430 [0,1,0,0,0,0|1,0,2]=4 3987 B14R0.391 C#CCCCCNCCC(=O)OC(C)C 2230a_100000706060_100000760027 [0,1,0,0,0,0|1,0,2]=4 3988 B14R0.391 C#CCCCCOCCC(=O)OC(C)C 7a_100000766709_100000760027 [0,1,0,0,0,0|1,0,2]=4 3989 B14R0.391 C#CCCCCSCCC(=O)OC(C)C 62a_100000760027_100010269958 [0,1,0,0,0,0|1,0,2]=4 3990 B14R0.391 C#CCCCCSCCC(=O)OC(C)C 62a_100010269958_100000760027 [0,1,0,0,0,0|1,0,2]=4 3991 B14R0.391 C#CCNCCCCCC(=O)OC(C)C 34a_100000212058_200010986244 [0,1,0,0,0,0|1,0,2]=4 3992 B14R0.391 C#CCOCCCCCC(=O)OC(C)C 34a_100000210247_200010986244 [0,1,0,0,0,0|1,0,2]=4 3993 B14R0.391 C#CCSCCCCCC(=O)OC(C)C 62a_100000038162_200010986244 [0,1,0,0,0,0|1,0,2]=4 3994 B14R0.391 C=C(C)CC(=O)CCCCCCCCC 1458a_100000210558_100000748629 [0,1,0,0,0,0|1,0,1]=3 3995 B14R0.391 C=C(F)CC(=O)CCCCCCCCC 1458a_100000210558_100009893438 [0,1,0,0,0,0|1,0,2]=4 3996 B14R0.391 C=CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100012355270 [0,1,0,0,0,0|1,0,2]=4 3997 B14R0.391 C=CCCCCCCCC(=O)CC(C)C 1458a_100011216160_100000210624 [0,1,0,0,0,0|1,0,2]=4 3998 B14R0.391 C=CCCCCCCCC(=O)CC(C)O 1458a_100011216160_100011218427 [0,1,0,0,0,0|1,0,2]=4 3999 B14R0.391 C=CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012355270 [0,1,0,0,0,0|1,0,2]=4 4000 B14R0.391 C=CCCCCCCCC(=O)NC(C)C 11a_100138425928_100011216160 [0,1,0,0,0,0|1,0,2]=4 4001 B14R0.391 C=CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100011216160 [0,1,0,0,0,0|1,0,2]=4 4002 B14R0.391 C=CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100011216160 [0,1,0,0,0,0|1,0,2]=4 4003 B14R0.391 C=CCCCCCCCC(=O)NC(C)C 527a_100138425928_100011216160 [0,1,0,0,0,0|1,0,2]=4 4004 B14R0.391 C=CCCCCCOCC(=O)OC(C)C 34a_100011216702_100011215430 [0,1,0,0,0,0|1,0,2]=4 4005 B14R0.391 C=CCCCCCOCC(=O)OC(C)C 7a_100011216702_100011215430 [0,1,0,0,0,0|1,0,2]=4 4006 B14R0.391 C=CCCCCCSCC(=O)OC(C)C 62a_100000700193_100011215430 [0,1,0,0,0,0|1,0,2]=4 4007 B14R0.391 C=CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000700193 [0,1,0,0,0,0|1,0,2]=4 4008 B14R0.391 C=CCCCCNCCC(=O)OC(C)C 2230a_100000703577_100000760027 [0,1,0,0,0,0|1,0,2]=4 4009 B14R0.391 C=CCCCCOCCC(=O)OC(C)C 7a_100000766645_100000760027 [0,1,0,0,0,0|1,0,2]=4 4010 B14R0.391 C=CCCCCSCCC(=O)OC(C)C 62a_100000760027_100011215482 [0,1,0,0,0,0|1,0,2]=4 4011 B14R0.391 C=CCCCCSCCC(=O)OC(C)C 62a_100011215482_100000760027 [0,1,0,0,0,0|1,0,2]=4 4012 B14R0.391 C=CCNCCCCCC(=O)OC(C)C 2230a_100020586998_200010986244 [0,1,0,0,0,0|1,0,2]=4 4013 B14R0.391 C=CCOCCCCCC(=O)OC(C)C 34a_200000210373_200010986244 [0,1,0,0,0,0|1,0,2]=4 4014 B14R0.391 C=CCSCCCCCC(=O)OC(C)C 62a_100000210623_200010986244 [0,1,0,0,0,0|1,0,2]=4 4015 B14R0.391 C=CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210623 [0,1,0,0,0,0|1,0,2]=4 4016 B14R0.391 CC(=CC(=O)CCCCCCCCO)C 1458a_100000211388_100000033203 [0,1,0,0,0,0|2,0,1]=4 4017 B14R0.391 CC(=CC(=O)CCCCCCCCO)Cl 1458a_200042562850_100000033203 [0,1,0,0,0,0|2,0,1]=4 4018 B14R0.391 CC(=CC(=O)CCCCCCCCO)I 1458a_100025716642_100000033203 [0,1,0,0,0,0|2,0,1]=4 4019 B14R0.391 CC(C)CC(=O)CCCCCCCCO 1458a_100000210554_100000033203 [0,1,0,0,0,0|2,0,0]=3 4020 B14R0.391 CC(C)CC(=O)NCCCCCCCO 240690a_100011996573_100000210554 [0,1,0,0,0,0|3,0,0]=4 4021 B14R0.391 CC(C)NC(=O)CCCCCCCCO 240690a_100138425928_100000015970 [0,1,0,0,0,0|2,0,0]=3 4022 B14R0.391 CC(C)NC(=O)CCNCCCCCO 2230a_100000762737_100000737564 [0,1,0,0,0,0|3,0,0]=4 4023 B14R0.391 CC(C)NC(=O)CCOCCCCCBr 7a_100000746331_100000737564 [0,1,0,0,0,0|3,0,0]=4 4024 B14R0.391 CC(C)NC(=O)CCOCCCCCCl 7a_100000746330_100000737564 [0,1,0,0,0,0|3,0,0]=4 4025 B14R0.391 CC(C)NC(=O)CCOCCCCCI 7a_200012148887_100000737564 [0,1,0,0,0,0|3,0,0]=4 4026 B14R0.391 CC(C)NC(=O)CCSCCCCCF 62a_100000729378_100000737564 [0,1,0,0,0,0|3,0,0]=4 4027 B14R0.391 CC(C)NC(=O)CCSCCCCCF 62a_100000737564_100000729378 [0,1,0,0,0,0|3,0,0]=4 4028 B14R0.391 CC(C)NC(=O)CCSCCCCCO 62a_100000737564_100000746330 [0,1,0,0,0,0|3,0,0]=4 4029 B14R0.391 CC(C)NC(=O)CCSCCCCCO 62a_100000746330_100000737564 [0,1,0,0,0,0|3,0,0]=4 4030 B14R0.391 CC(C)NC(=O)CNCCCCCCF 2230a_100000168517_100015922095 [0,1,0,0,0,0|3,0,0]=4 4031 B14R0.391 CC(C)NC(=O)CNCCCCCCO 2230a_100000168517_100000766143 [0,1,0,0,0,0|3,0,0]=4 4032 B14R0.391 CC(C)NC(=O)CNCCCCCCO 2230a_100000686447_100000183996 [0,1,0,0,0,0|3,0,0]=4 4033 B14R0.391 CC(C)NC(=O)CNCCCCCCO 34a_100000686447_100000183996 [0,1,0,0,0,0|3,0,0]=4 4034 B14R0.391 CC(C)NC(=O)COCCCCCCBr 34a_100011215345_100000183996 [0,1,0,0,0,0|3,0,0]=4 4035 B14R0.391 CC(C)NC(=O)COCCCCCCBr 7a_100011215345_100000183996 [0,1,0,0,0,0|3,0,0]=4 4036 B14R0.391 CC(C)NC(=O)COCCCCCCCl 34a_100000766143_100000183996 [0,1,0,0,0,0|3,0,0]=4 4037 B14R0.391 CC(C)NC(=O)COCCCCCCCl 7a_100000766143_100000183996 [0,1,0,0,0,0|3,0,0]=4 4038 B14R0.391 CC(C)NC(=O)COCCCCCCF 34a_100000732779_100000183996 [0,1,0,0,0,0|3,0,0]=4 4039 B14R0.391 CC(C)NC(=O)COCCCCCCF 7a_100000732779_100000183996 [0,1,0,0,0,0|3,0,0]=4 4040 B14R0.391 CC(C)NC(=O)COCCCCCCN 34a_100000686447_100000183996 [0,1,0,0,0,0|3,0,0]=4 4041 B14R0.391 CC(C)NC(=O)CSCCCCCCF 62a_100000183996_100015922095 [0,1,0,0,0,0|3,0,0]=4 4042 B14R0.391 CC(C)NC(=O)CSCCCCCCF 62a_100015922095_100000183996 [0,1,0,0,0,0|3,0,0]=4 4043 B14R0.391 CC(C)NC(=O)CSCCCCCCO 62a_100000183996_100000766143 [0,1,0,0,0,0|3,0,0]=4 4044 B14R0.391 CC(C)NC(=O)CSCCCCCCO 62a_100000766143_100000183996 [0,1,0,0,0,0|3,0,0]=4 4045 B14R0.391 CC(C)NC(=O)NCCCCCCCO 2708a_100011996573_100138425928 [0,1,0,0,0,0|3,0,0]=4 4046 B14R0.391 CC(C)NC(=O)NCCCCCCCO 2708a_100138425928_100011996573 [0,1,0,0,0,0|3,0,0]=4 4047 B14R0.391 CC(C)NC(=O)NCCCCCCCO 273464a_100138425928_100011996573 [0,1,0,0,0,0|3,0,0]=4 4048 B14R0.391 CC(C)NC(=O)NCCCCCCCO 512a_100011996573_100138425928 [0,1,0,0,0,0|3,0,0]=4 4049 B14R0.391 CC(C)NC(=O)NCCCCCCCO 512a_100138425928_100011996573 [0,1,0,0,0,0|3,0,0]=4 4050 B14R0.391 CC(C)OC(=O)CCCCCNCCF 34a_100000724931_200010986244 [0,1,0,0,0,0|2,0,0]=3 4051 B14R0.391 CC(C)OC(=O)CCCCCNCCO 2230a_100016997473_200010986244 [0,1,0,0,0,0|2,0,0]=3 4052 B14R0.391 CC(C)OC(=O)CCCCCNCCO 34a_100016990907_200010986244 [0,1,0,0,0,0|2,0,0]=3 4053 B14R0.391 CC(C)OC(=O)CCCCCOCCBr 34a_100000211926_200010986244 [0,1,0,0,0,0|2,0,0]=3 4054 B14R0.391 CC(C)OC(=O)CCCCCOCCN 34a_100000210304_200010986244 [0,1,0,0,0,0|2,0,0]=3 4055 B14R0.391 CC(C)OC(=O)CCCCCSCC#N 62a_100011215382_200010986244 [0,1,0,0,0,0|2,0,1]=4 4056 B14R0.391 CC(C)OC(=O)CCCCCSCC#N 62a_200010986244_100011215382 [0,1,0,0,0,0|2,0,1]=4 4057 B14R0.391 CC(C)OC(=O)CCCCCSCC=O 62a_200010986244_200015260668 [0,1,0,0,0,0|2,0,1]=4 4058 B14R0.391 CC(C)OC(=O)CCCCCSCC=O 62a_200015260668_200010986244 [0,1,0,0,0,0|2,0,1]=4 4059 B14R0.391 CC(C)OC(=O)CCCCCSCCF 62a_100011217306_200010986244 [0,1,0,0,0,0|2,0,0]=3 4060 B14R0.391 CC(C)OC(=O)CCCCCSCCF 62a_200010986244_100011217306 [0,1,0,0,0,0|2,0,0]=3 4061 B14R0.391 CC(C)OC(=O)CCCCCSCCO 62a_100000211926_200010986244 [0,1,0,0,0,0|2,0,0]=3 4062 B14R0.391 CC(C)OC(=O)CCCCCSCCO 62a_200010986244_100000211926 [0,1,0,0,0,0|2,0,0]=3 4063 B14R0.391 CC(C)OC(=O)CCNCCCCCO 2230a_100000762737_100000760027 [0,1,0,0,0,0|2,0,0]=3 4064 B14R0.391 CC(C)OC(=O)CCNCCOCCO 2230a_100000211614_100000760027 [0,1,0,0,0,0|3,0,0]=4 4065 B14R0.391 CC(C)OC(=O)CCNCCSCCO 2230a_100011219999_100000760027 [0,1,0,0,0,0|3,0,0]=4 4066 B14R0.391 CC(C)OC(=O)CCOCCCCCBr 7a_100000746331_100000760027 [0,1,0,0,0,0|2,0,0]=3 4067 B14R0.391 CC(C)OC(=O)CCOCCCCCCl 7a_100000746330_100000760027 [0,1,0,0,0,0|2,0,0]=3 4068 B14R0.391 CC(C)OC(=O)CCOCCCCCI 7a_200012148887_100000760027 [0,1,0,0,0,0|2,0,0]=3 4069 B14R0.391 CC(C)OC(=O)CCOCCOCCBr 7a_100000692535_100000760027 [0,1,0,0,0,0|3,0,0]=4 4070 B14R0.391 CC(C)OC(=O)CCOCCOCCCl 7a_100011215305_100000760027 [0,1,0,0,0,0|3,0,0]=4 4071 B14R0.391 CC(C)OC(=O)CCOCCOCCF 7a_200015357709_100000760027 [0,1,0,0,0,0|3,0,0]=4 4072 B14R0.391 CC(C)OC(=O)CCOCCOCCI 7a_100012149058_100000760027 [0,1,0,0,0,0|3,0,0]=4 4073 B14R0.391 CC(C)OC(=O)CCSCCCCC#N 62a_100000760027_100000211819 [0,1,0,0,0,0|2,0,1]=4 4074 B14R0.391 CC(C)OC(=O)CCSCCCCC#N 62a_100011219923_100000760027 [0,1,0,0,0,0|2,0,1]=4 4075 B14R0.391 CC(C)OC(=O)CCSCCCCC=O 62a_100000139335_100000760027 [0,1,0,0,0,0|2,0,1]=4 4076 B14R0.391 CC(C)OC(=O)CCSCCCCC=O 62a_100000760027_100000139335 [0,1,0,0,0,0|2,0,1]=4 4077 B14R0.391 CC(C)OC(=O)CCSCCCCCF 62a_100000729378_100000760027 [0,1,0,0,0,0|2,0,0]=3 4078 B14R0.391 CC(C)OC(=O)CCSCCCCCF 62a_100000760027_100000729378 [0,1,0,0,0,0|2,0,0]=3 4079 B14R0.391 CC(C)OC(=O)CCSCCCCCO 62a_100000746330_100000760027 [0,1,0,0,0,0|2,0,0]=3 4080 B14R0.391 CC(C)OC(=O)CCSCCCCCO 62a_100000760027_100000746330 [0,1,0,0,0,0|2,0,0]=3 4081 B14R0.391 CC(C)OC(=O)CCSCCOCCO 62a_100000760027_100011215305 [0,1,0,0,0,0|3,0,0]=4 4082 B14R0.391 CC(C)OC(=O)CCSCCOCCO 62a_100011215305_100000760027 [0,1,0,0,0,0|3,0,0]=4 4083 B14R0.391 CC(C)OC(=O)CNCCCCCCO 2230a_100000686447_100011215430 [0,1,0,0,0,0|2,0,0]=3 4084 B14R0.391 CC(C)OC(=O)CNCCCCCCO 34a_100000686447_100011215430 [0,1,0,0,0,0|2,0,0]=3 4085 B14R0.391 CC(C)OC(=O)COCCCCCCBr 34a_100011215345_100011215430 [0,1,0,0,0,0|2,0,0]=3 4086 B14R0.391 CC(C)OC(=O)COCCCCCCBr 7a_100011215345_100011215430 [0,1,0,0,0,0|2,0,0]=3 4087 B14R0.391 CC(C)OC(=O)COCCCCCCCl 34a_100000766143_100011215430 [0,1,0,0,0,0|2,0,0]=3 4088 B14R0.391 CC(C)OC(=O)COCCCCCCCl 7a_100000766143_100011215430 [0,1,0,0,0,0|2,0,0]=3 4089 B14R0.391 CC(C)OC(=O)COCCCCCCF 34a_100000732779_100011215430 [0,1,0,0,0,0|2,0,0]=3 4090 B14R0.391 CC(C)OC(=O)COCCCCCCF 7a_100000732779_100011215430 [0,1,0,0,0,0|2,0,0]=3 4091 B14R0.391 CC(C)OC(=O)COCCCCCCN 34a_100000686447_100011215430 [0,1,0,0,0,0|2,0,0]=3 4092 B14R0.391 CC(C)OC(=O)CSCCCCCC#N 62a_100009813376_100011215430 [0,1,0,0,0,0|2,0,1]=4 4093 B14R0.391 CC(C)OC(=O)CSCCCCCC#N 62a_100011215430_100009813376 [0,1,0,0,0,0|2,0,1]=4 4094 B14R0.391 CC(C)OC(=O)CSCCCCCC=O 62a_100000139337_100011215430 [0,1,0,0,0,0|2,0,1]=4 4095 B14R0.391 CC(C)OC(=O)CSCCCCCC=O 62a_100011215430_100000139337 [0,1,0,0,0,0|2,0,1]=4 4096 B14R0.391 CC(C)OC(=O)CSCCCCCCF 62a_100011215430_100015922095 [0,1,0,0,0,0|2,0,0]=3 4097 B14R0.391 CC(C)OC(=O)CSCCCCCCF 62a_100015922095_100011215430 [0,1,0,0,0,0|2,0,0]=3 4098 B14R0.391 CC(C)OC(=O)CSCCCCCCO 62a_100000766143_100011215430 [0,1,0,0,0,0|2,0,0]=3 4099 B14R0.391 CC(C)OC(=O)CSCCCCCCO 62a_100011215430_100000766143 [0,1,0,0,0,0|2,0,0]=3 4100 B14R0.391 CC(C)OC(=O)OCSCCCCCF 62a_100000003507_100000729378 [0,1,0,0,0,0|3,0,0]=4 4101 B14R0.391 CC(C)OC(=O)OCSCCCCCF 62a_100000729378_100000003507 [0,1,0,0,0,0|3,0,0]=4 4102 B14R0.391 CC(C)OC(=O)OCSCCCCCO 62a_100000003507_100000746330 [0,1,0,0,0,0|3,0,0]=4 4103 B14R0.391 CC(C)OC(=O)OCSCCCCCO 62a_100000746330_100000003507 [0,1,0,0,0,0|3,0,0]=4 4104 B14R0.391 CC/C=C/CCCOCC(=O)OC(C)C 34a_100016287902_100011215430 [0,1,0,0,0,0|1,0,2]=4 4105 B14R0.391 CC/C=C/CCCOCC(=O)OC(C)C 7a_100016287902_100011215430 [0,1,0,0,0,0|1,0,2]=4 4106 B14R0.391 CC/C=C\CCOCCC(=O)OC(C)C 7a_100016288707_100000760027 [0,1,0,0,0,0|1,0,2]=4 4107 B14R0.391 CC/C=C\CCSCCC(=O)OC(C)C 62a_100000760027_100015370543 [0,1,0,0,0,0|1,0,2]=4 4108 B14R0.391 CC/C=C\CCSCCC(=O)OC(C)C 62a_100015370543_100000760027 [0,1,0,0,0,0|1,0,2]=4 4109 B14R0.391 CCC#CCCOCCC(=O)OC(C)C 7a_100000036655_100000760027 [0,1,0,0,0,0|1,0,2]=4 4110 B14R0.391 CCC/C=C/COCCC(=O)OC(C)C 7a_100016278788_100000760027 [0,1,0,0,0,0|1,0,2]=4 4111 B14R0.391 CCCC#CCCOCC(=O)OC(C)C 34a_100000042726_100011215430 [0,1,0,0,0,0|1,0,2]=4 4112 B14R0.391 CCCC#CCCOCC(=O)OC(C)C 7a_100000042726_100011215430 [0,1,0,0,0,0|1,0,2]=4 4113 B14R0.391 CCCC#CCOCCC(=O)OC(C)C 7a_100000034806_100000760027 [0,1,0,0,0,0|1,0,2]=4 4114 B14R0.391 CCCC/C=C/COCC(=O)OC(C)C 34a_200016272032_100011215430 [0,1,0,0,0,0|1,0,2]=4 4115 B14R0.391 CCCC/C=C/COCC(=O)OC(C)C 7a_200016272032_100011215430 [0,1,0,0,0,0|1,0,2]=4 4116 B14R0.391 CCCCC#CCCCC(=O)CC(C)C 1458a_100000210554_200000047210 [0,1,0,0,0,0|1,0,2]=4 4117 B14R0.391 CCCCC#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_200000047210 [0,1,0,0,0,0|1,0,2]=4 4118 B14R0.391 CCCCC#CCOCC(=O)OC(C)C 34a_200000034558_100011215430 [0,1,0,0,0,0|1,0,2]=4 4119 B14R0.391 CCCCC#CCOCC(=O)OC(C)C 7a_200000034558_100011215430 [0,1,0,0,0,0|1,0,2]=4 4120 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)C 1458a_200015255902_100000210624 [0,1,0,0,0,0|1,0,2]=4 4121 B14R0.391 CCCCC/C=C/CCC(=O)CC(C)O 1458a_200015255902_100011218427 [0,1,0,0,0,0|1,0,2]=4 4122 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 11a_100138425928_200015255902 [0,1,0,0,0,0|1,0,2]=4 4123 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 1626a_100138425928_200015255902 [0,1,0,0,0,0|1,0,2]=4 4124 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 240690a_100138425928_200015255902 [0,1,0,0,0,0|1,0,2]=4 4125 B14R0.391 CCCCC/C=C/CCC(=O)NC(C)C 527a_100138425928_200015255902 [0,1,0,0,0,0|1,0,2]=4 4126 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)C 1458a_100020681715_100000210624 [0,1,0,0,0,0|1,0,2]=4 4127 B14R0.391 CCCCCC/C=C/CC(=O)CC(C)O 1458a_100020681715_100011218427 [0,1,0,0,0,0|1,0,2]=4 4128 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 11a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 4129 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 1626a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 4130 B14R0.391 CCCCCC/C=C/CC(=O)NC(C)C 240690a_100138425928_100020681715 [0,1,0,0,0,0|1,0,2]=4 4131 B14R0.391 CCCCCCCC=CC(=O)CC(C)C 1458a_200015332781_100000210624 [0,1,0,0,0,0|1,0,2]=4 4132 B14R0.391 CCCCCCCC=CC(=O)CC(C)O 1458a_200015332781_100011218427 [0,1,0,0,0,0|1,0,2]=4 4133 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 11a_100138425928_200015332781 [0,1,0,0,0,0|1,0,2]=4 4134 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_200015332781 [0,1,0,0,0,0|1,0,2]=4 4135 B14R0.391 CCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_200015332781 [0,1,0,0,0,0|1,0,2]=4 4136 B14R0.391 CCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210670 [0,1,0,0,0,0|1,0,1]=3 4137 B14R0.391 CCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210670 [0,1,0,0,0,0|1,0,1]=3 4138 B14R0.391 CCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210670 [0,1,0,0,0,0|1,0,1]=3 4139 B14R0.391 CCCCCCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210670 [0,1,0,0,0,0|2,0,1]=4 4140 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100000210558_100000187820 [0,1,0,0,0,0|2,0,1]=4 4141 B14R0.391 CCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210670 [0,1,0,0,0,0|2,0,1]=4 4142 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210558_100020667443 [0,1,0,0,0,0|2,0,1]=4 4143 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210670 [0,1,0,0,0,0|1,0,0]=2 4144 B14R0.391 CCCCCCCCCC(=O)CC(C)C 1458a_100000210558_100000210624 [0,1,0,0,0,0|1,0,0]=2 4145 B14R0.391 CCCCCCCCCC(=O)CC(C)O 1458a_100000210558_100011218427 [0,1,0,0,0,0|1,0,0]=2 4146 B14R0.391 CCCCCCCCCC(=O)CC(F)F 1458a_100000210558_100011934356 [0,1,0,0,0,0|2,0,0]=3 4147 B14R0.391 CCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210670 [0,1,0,0,0,0|2,0,0]=3 4148 B14R0.391 CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210670 [0,1,0,0,0,0|1,0,0]=2 4149 B14R0.391 CCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100000210558_100000761209 [0,1,0,0,0,0|3,0,0]=4 4150 B14R0.391 CCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210670 [0,1,0,0,0,0|2,0,0]=3 4151 B14R0.391 CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210558 [0,1,0,0,0,0|1,0,0]=2 4152 B14R0.391 CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210558 [0,1,0,0,0,0|1,0,0]=2 4153 B14R0.391 CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210558 [0,1,0,0,0,0|1,0,0]=2 4154 B14R0.391 CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210558 [0,1,0,0,0,0|1,0,0]=2 4155 B14R0.391 CCCCCCCCCC(C)OC(C)C 34a_100011218016_100000210206 [0,1,0,0,0,0|1,0,1]=3 4156 B14R0.391 CCCCCCCCCC(C)OC(C)C 7a_100011218016_100000210206 [0,1,0,0,0,0|1,0,1]=3 4157 B14R0.391 CCCCCCCCCN(C)CC(C)C 2230a_100000232482_100000210760 [0,1,0,0,0,0|3,0,0]=4 4158 B14R0.391 CCCCCCCCCN(C)CC(C)C 2230a_100000747067_100011214924 [0,1,0,0,0,0|3,0,0]=4 4159 B14R0.391 CCCCCCCCCN(C)CC(C)C 269982a_100000232482_100000210624 [0,1,0,0,0,0|3,0,0]=4 4160 B14R0.391 CCCCCCCCCN(C)CC(C)C 269982a_100000747067_100000210670 [0,1,0,0,0,0|3,0,0]=4 4161 B14R0.391 CCCCCCCCCN(C)CC(C)C 270004a_100000232482_100000210432 [0,1,0,0,0,0|3,0,0]=4 4162 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000227577_100011214924 [0,1,0,0,0,0|3,0,0]=4 4163 B14R0.391 CCCCCCCCCN(C)CC(C)O 2230a_100000232482_100011218427 [0,1,0,0,0,0|3,0,0]=4 4164 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000227577_100000210670 [0,1,0,0,0,0|3,0,0]=4 4165 B14R0.391 CCCCCCCCCN(C)CC(C)O 269982a_100000232482_100011218427 [0,1,0,0,0,0|3,0,0]=4 4166 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 2230a_100000232482_100009817552 [0,1,0,0,0,0|3,0,0]=4 4167 B14R0.391 CCCCCCCCCN(C)C[C@@H](C)O 269982a_100000232482_100009817552 [0,1,0,0,0,0|3,0,0]=4 4168 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 11a_100000229939_100000211388 [0,1,0,0,0,0|2,0,1]=4 4169 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 1626a_100000229939_100000211388 [0,1,0,0,0,0|2,0,1]=4 4170 B14R0.391 CCCCCCCCNC(=O)C=C(C)C 240690a_100000229939_100000211388 [0,1,0,0,0,0|2,0,1]=4 4171 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 11a_100000229939_200042562850 [0,1,0,0,0,0|2,0,1]=4 4172 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 1626a_100000229939_200042562850 [0,1,0,0,0,0|2,0,1]=4 4173 B14R0.391 CCCCCCCCNC(=O)C=C(C)Cl 240690a_100000229939_200042562850 [0,1,0,0,0,0|2,0,1]=4 4174 B14R0.391 CCCCCCCCNC(=O)C=C(C)I 11a_100000229939_100025716642 [0,1,0,0,0,0|2,0,1]=4 4175 B14R0.391 CCCCCCCCNC(=O)C=C(C)I 1626a_100000229939_100025716642 [0,1,0,0,0,0|2,0,1]=4 4176 B14R0.391 CCCCCCCCNC(=O)CC(C)C 11a_100000229939_100000210554 [0,1,0,0,0,0|2,0,0]=3 4177 B14R0.391 CCCCCCCCNC(=O)CC(C)C 1626a_100000229939_100000210554 [0,1,0,0,0,0|2,0,0]=3 4178 B14R0.391 CCCCCCCCNC(=O)CC(C)C 240690a_100000229939_100000210554 [0,1,0,0,0,0|2,0,0]=3 4179 B14R0.391 CCCCCCCCNC(=O)CC(C)C 527a_100000229939_100000210554 [0,1,0,0,0,0|2,0,0]=3 4180 B14R0.391 CCCCCCCCNC(=O)CN(C)C 11a_100000229939_100000750896 [0,1,0,0,0,0|3,0,0]=4 4181 B14R0.391 CCCCCCCCNC(=O)CN(C)C 240690a_100000229939_100000750896 [0,1,0,0,0,0|3,0,0]=4 4182 B14R0.391 CCCCCCCCNC(=O)CN(C)C 527a_100000229939_100000750896 [0,1,0,0,0,0|3,0,0]=4 4183 B14R0.391 CCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229939_100011933948 [0,1,0,0,0,0|2,0,0]=3 4184 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 11a_100000229939_200159257847 [0,1,0,0,0,0|3,0,0]=4 4185 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 1626a_100000229939_200159257847 [0,1,0,0,0,0|3,0,0]=4 4186 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 240690a_100000229939_200159257847 [0,1,0,0,0,0|3,0,0]=4 4187 B14R0.391 CCCCCCCCNC(=O)C[S+](C)C 527a_100000229939_200159257847 [0,1,0,0,0,0|3,0,0]=4 4188 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100000229939_100138425928 [0,1,0,0,0,0|2,0,0]=3 4189 B14R0.391 CCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229939 [0,1,0,0,0,0|2,0,0]=3 4190 B14R0.391 CCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229939 [0,1,0,0,0,0|2,0,0]=3 4191 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100000229939_100138425928 [0,1,0,0,0,0|2,0,0]=3 4192 B14R0.391 CCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229939 [0,1,0,0,0,0|2,0,0]=3 4193 B14R0.391 CCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210681 [0,1,0,0,0,0|2,0,0]=3 4194 B14R0.391 CCCCCCCNCC(=O)NC(C)C 2230a_100000229938_100000183996 [0,1,0,0,0,0|2,0,0]=3 4195 B14R0.391 CCCCCCCNCC(=O)OC(C)C 2230a_100000229938_100011215430 [0,1,0,0,0,0|1,0,0]=2 4196 B14R0.391 CCCCCCCOCC(=O)NC(=O)C 7a_100000210272_100000183797 [0,1,0,0,0,0|2,0,1]=4 4197 B14R0.391 CCCCCCCOCC(=O)NC(C)C 34a_100000210272_100000183996 [0,1,0,0,0,0|2,0,0]=3 4198 B14R0.391 CCCCCCCOCC(=O)NC(C)C 7a_100000210272_100000183996 [0,1,0,0,0,0|2,0,0]=3 4199 B14R0.391 CCCCCCCOCC(=O)OC(C)C 34a_100000210272_100011215430 [0,1,0,0,0,0|1,0,0]=2 4200 B14R0.391 CCCCCCCOCC(=O)OC(C)C 7a_100000210272_100011215430 [0,1,0,0,0,0|1,0,0]=2 4201 B14R0.391 CCCCCCCSCC(=O)NC(=O)C 62a_100000210614_100000183797 [0,1,0,0,0,0|2,0,1]=4 4202 B14R0.391 CCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210316 [0,1,0,0,0,0|2,0,0]=3 4203 B14R0.391 CCCCCCCSCC(=O)NC(C)C 62a_100000210614_100000183996 [0,1,0,0,0,0|2,0,0]=3 4204 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100000210614_100011215430 [0,1,0,0,0,0|1,0,0]=2 4205 B14R0.391 CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210316 [0,1,0,0,0,0|1,0,0]=2 4206 B14R0.391 CCCCCCNCCC(=O)NC(C)C 2230a_100000210581_100000737564 [0,1,0,0,0,0|2,0,0]=3 4207 B14R0.391 CCCCCCNCCC(=O)OC(C)C 2230a_100000210581_100000760027 [0,1,0,0,0,0|1,0,0]=2 4208 B14R0.391 CCCCCCOCCC(=O)NC(C)C 7a_100000210259_100000737564 [0,1,0,0,0,0|2,0,0]=3 4209 B14R0.391 CCCCCCOCCC(=O)OC(C)C 7a_100000210259_100000760027 [0,1,0,0,0,0|1,0,0]=2 4210 B14R0.391 CCCCCCSCCC(=O)NC(C)C 62a_100000210314_100000737564 [0,1,0,0,0,0|2,0,0]=3 4211 B14R0.391 CCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210757 [0,1,0,0,0,0|2,0,0]=3 4212 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000210314_100000760027 [0,1,0,0,0,0|1,0,0]=2 4213 B14R0.391 CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210757 [0,1,0,0,0,0|1,0,0]=2 4214 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210757 [0,1,0,0,0,0|2,0,0]=3 4215 B14R0.391 CCCCCCSCOC(=O)OC(C)C 62a_100000210314_100000003507 [0,1,0,0,0,0|2,0,0]=3 4216 B14R0.391 CCCCOCCCNC(=O)CC(C)C 1626a_200000211371_100000210554 [0,1,0,0,0,0|3,0,0]=4 4217 B14R0.391 CCCCOCCCNC(=O)CC(C)C 240690a_200000211371_100000210554 [0,1,0,0,0,0|3,0,0]=4 4218 B14R0.391 CCCCOCCCNC(=O)CC(C)C 527a_200000211371_100000210554 [0,1,0,0,0,0|3,0,0]=4 4219 B14R0.391 CCCCOCCCNC(=O)C[C@@H](C)O 240690a_200000211371_100011933948 [0,1,0,0,0,0|3,0,0]=4 4220 B14R0.391 CCCCOCCCNC(=O)NC(C)C 2708a_100138425928_200000211371 [0,1,0,0,0,0|3,0,0]=4 4221 B14R0.391 CCCCOCCCNC(=O)NC(C)C 2708a_200000211371_100138425928 [0,1,0,0,0,0|3,0,0]=4 4222 B14R0.391 CCCCOCCCNC(=O)NC(C)C 273464a_100138425928_200000211371 [0,1,0,0,0,0|3,0,0]=4 4223 B14R0.391 CCCCOCCCNC(=O)NC(C)C 512a_100138425928_200000211371 [0,1,0,0,0,0|3,0,0]=4 4224 B14R0.391 CCCCOCCCNC(=O)NC(C)C 512a_200000211371_100138425928 [0,1,0,0,0,0|3,0,0]=4 4225 B14R0.391 CCCCOCCNCC(=O)NC(C)C 2230a_100000168517_100000743108 [0,1,0,0,0,0|3,0,0]=4 4226 B14R0.391 CCCCOCCOCC(=O)CC(C)C 1458a_100011216887_100000210624 [0,1,0,0,0,0|3,0,0]=4 4227 B14R0.391 CCCCOCCOCC(=O)CC(C)O 1458a_100011216887_100011218427 [0,1,0,0,0,0|3,0,0]=4 4228 B14R0.391 CCCCOCCOCC(=O)NC(C)C 11a_100138425928_100011216887 [0,1,0,0,0,0|3,0,0]=4 4229 B14R0.391 CCCCOCCOCC(=O)NC(C)C 1626a_100138425928_100011216887 [0,1,0,0,0,0|3,0,0]=4 4230 B14R0.391 CCCCOCCOCC(=O)NC(C)C 240690a_100138425928_100011216887 [0,1,0,0,0,0|3,0,0]=4 4231 B14R0.391 CCCCOCCOCC(=O)NC(C)C 34a_100000210238_100000183996 [0,1,0,0,0,0|3,0,0]=4 4232 B14R0.391 CCCCOCCOCC(=O)NC(C)C 527a_100138425928_100011216887 [0,1,0,0,0,0|3,0,0]=4 4233 B14R0.391 CCCCOCCOCC(=O)NC(C)C 7a_100000210238_100000183996 [0,1,0,0,0,0|3,0,0]=4 4234 B14R0.391 CCCCOCCOCC(=O)OC(C)C 34a_100000210238_100011215430 [0,1,0,0,0,0|2,0,0]=3 4235 B14R0.391 CCCCOCCOCC(=O)OC(C)C 7a_100000210238_100011215430 [0,1,0,0,0,0|2,0,0]=3 4236 B14R0.391 CCCCOCCSCC(=O)NC(C)C 62a_100000183996_100000743108 [0,1,0,0,0,0|3,0,0]=4 4237 B14R0.391 CCCCOCCSCC(=O)NC(C)C 62a_100000743108_100000183996 [0,1,0,0,0,0|3,0,0]=4 4238 B14R0.391 CCCCOCCSCC(=O)OC(C)C 62a_100000743108_100011215430 [0,1,0,0,0,0|2,0,0]=3 4239 B14R0.391 CCCCOCCSCC(=O)OC(C)C 62a_100011215430_100000743108 [0,1,0,0,0,0|2,0,0]=3 4240 B14R0.391 CCCCOCSCCC(=O)NC(C)C 62a_100000737564_100011995733 [0,1,0,0,0,0|3,0,0]=4 4241 B14R0.391 CCCCOCSCCC(=O)NC(C)C 62a_100011995733_100000737564 [0,1,0,0,0,0|3,0,0]=4 4242 B14R0.391 CCCCOCSCCC(=O)OC(C)C 62a_100000760027_100011995733 [0,1,0,0,0,0|2,0,0]=3 4243 B14R0.391 CCCCOCSCCC(=O)OC(C)C 62a_100011995733_100000760027 [0,1,0,0,0,0|2,0,0]=3 4244 B14R0.391 CCCCOCSCOC(=O)OC(C)C 62a_100000003507_100011995733 [0,1,0,0,0,0|3,0,0]=4 4245 B14R0.391 CCCCOCSCOC(=O)OC(C)C 62a_100011995733_100000003507 [0,1,0,0,0,0|3,0,0]=4 4246 B14R0.391 CCCCSCCNCC(=O)NC(C)C 2230a_100025743550_100000183996 [0,1,0,0,0,0|3,0,0]=4 4247 B14R0.391 CCCCSCCNCC(=O)OC(C)C 2230a_100025743550_100011215430 [0,1,0,0,0,0|2,0,0]=3 4248 B14R0.391 CCCCSCCOCC(=O)NC(C)C 34a_200000230436_100000183996 [0,1,0,0,0,0|3,0,0]=4 4249 B14R0.391 CCCCSCCOCC(=O)NC(C)C 7a_200000230436_100000183996 [0,1,0,0,0,0|3,0,0]=4 4250 B14R0.391 CCCCSCCOCC(=O)OC(C)C 34a_200000230436_100011215430 [0,1,0,0,0,0|2,0,0]=3 4251 B14R0.391 CCCCSCCOCC(=O)OC(C)C 7a_200000230436_100011215430 [0,1,0,0,0,0|2,0,0]=3 4252 B14R0.391 CCCOCCCCCC(=O)OC(C)C 34a_100000210258_200010986244 [0,1,0,0,0,0|1,0,0]=2 4253 B14R0.391 CCCOCCCNCC(=O)NC(C)C 2230a_100011217757_100000183996 [0,1,0,0,0,0|3,0,0]=4 4254 B14R0.391 CCCOCCCNCC(=O)NC(C)C 34a_100011217757_100000183996 [0,1,0,0,0,0|3,0,0]=4 4255 B14R0.391 CCCOCCCNCC(=O)OC(C)C 2230a_100011217757_100011215430 [0,1,0,0,0,0|2,0,0]=3 4256 B14R0.391 CCCOCCCNCC(=O)OC(C)C 34a_100011217757_100011215430 [0,1,0,0,0,0|2,0,0]=3 4257 B14R0.391 CCCOCCNCCC(=O)NC(C)C 2230a_100161115042_100000737564 [0,1,0,0,0,0|3,0,0]=4 4258 B14R0.391 CCCOCCNCCC(=O)OC(C)C 2230a_100161115042_100000760027 [0,1,0,0,0,0|2,0,0]=3 4259 B14R0.391 CCCOCCOCCC(=O)NC(C)C 7a_100000752267_100000737564 [0,1,0,0,0,0|3,0,0]=4 4260 B14R0.391 CCCOCCOCCC(=O)OC(C)C 7a_100000752267_100000760027 [0,1,0,0,0,0|2,0,0]=3 4261 B14R0.391 CCCOCCSCCC(=O)NC(C)C 62a_100000737564_100011215938 [0,1,0,0,0,0|3,0,0]=4 4262 B14R0.391 CCCOCCSCCC(=O)NC(C)C 62a_100011215938_100000737564 [0,1,0,0,0,0|3,0,0]=4 4263 B14R0.391 CCCOCCSCCC(=O)OC(C)C 62a_100000760027_100011215938 [0,1,0,0,0,0|2,0,0]=3 4264 B14R0.391 CCCOCCSCCC(=O)OC(C)C 62a_100011215938_100000760027 [0,1,0,0,0,0|2,0,0]=3 4265 B14R0.391 CCCOCCSCOC(=O)OC(C)C 62a_100000003507_100011215938 [0,1,0,0,0,0|3,0,0]=4 4266 B14R0.391 CCCOCCSCOC(=O)OC(C)C 62a_100011215938_100000003507 [0,1,0,0,0,0|3,0,0]=4 4267 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_100000210303_200010986244 [0,1,0,0,0,0|1,0,0]=2 4268 B14R0.391 CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210303 [0,1,0,0,0,0|1,0,0]=2 4269 B14R0.391 CCCSCCNCCC(=O)NC(C)C 2230a_100020603323_100000737564 [0,1,0,0,0,0|3,0,0]=4 4270 B14R0.391 CCCSCCNCCC(=O)OC(C)C 2230a_100020603323_100000760027 [0,1,0,0,0,0|2,0,0]=3 4271 B14R0.391 CCCSCCOCCC(=O)NC(C)C 7a_200000230433_100000737564 [0,1,0,0,0,0|3,0,0]=4 4272 B14R0.391 CCCSCCOCCC(=O)OC(C)C 7a_200000230433_100000760027 [0,1,0,0,0,0|2,0,0]=3 4273 B14R0.391 CCOCCCNCCC(=O)NC(C)C 2230a_100000210961_100000737564 [0,1,0,0,0,0|3,0,0]=4 4274 B14R0.391 CCOCCCNCCC(=O)OC(C)C 2230a_100000210961_100000760027 [0,1,0,0,0,0|2,0,0]=3 4275 B14R0.391 CCOCCCOCCC(=O)NC(C)C 7a_100000757476_100000737564 [0,1,0,0,0,0|3,0,0]=4 4276 B14R0.391 CCOCCCOCCC(=O)OC(C)C 7a_100000757476_100000760027 [0,1,0,0,0,0|2,0,0]=3 4277 B14R0.391 CCOCCCSCCC(=O)NC(C)C 62a_100000737564_100012232248 [0,1,0,0,0,0|3,0,0]=4 4278 B14R0.391 CCOCCCSCCC(=O)NC(C)C 62a_100012232248_100000737564 [0,1,0,0,0,0|3,0,0]=4 4279 B14R0.391 CCOCCCSCCC(=O)OC(C)C 62a_100000760027_100012232248 [0,1,0,0,0,0|2,0,0]=3 4280 B14R0.391 CCOCCCSCCC(=O)OC(C)C 62a_100012232248_100000760027 [0,1,0,0,0,0|2,0,0]=3 4281 B14R0.391 CCOCCCSCOC(=O)OC(C)C 62a_100000003507_100012232248 [0,1,0,0,0,0|3,0,0]=4 4282 B14R0.391 CCOCCCSCOC(=O)OC(C)C 62a_100012232248_100000003507 [0,1,0,0,0,0|3,0,0]=4 4283 B14R0.391 CCSCCCOCCC(=O)NC(C)C 7a_100011216438_100000737564 [0,1,0,0,0,0|3,0,0]=4 4284 B14R0.391 CCSCCCOCCC(=O)OC(C)C 7a_100011216438_100000760027 [0,1,0,0,0,0|2,0,0]=3 4285 B14R0.391 CN(C)CC(=O)CCCCCCCCO 1458a_100000750896_100000033203 [0,1,0,0,0,0|3,0,0]=4 4286 B14R0.391 CNCCCCCOCC(=O)NC(C)C 34a_100000722520_100000183996 [0,1,0,0,0,0|3,0,0]=4 4287 B14R0.391 CNCCCCCOCC(=O)OC(C)C 34a_100000722520_100011215430 [0,1,0,0,0,0|2,0,0]=3 4288 B14R0.391 CNCCOCCOCC(=O)OC(C)C 34a_100000228057_100011215430 [0,1,0,0,0,0|3,0,0]=4 4289 B14R0.391 COCCCCCNCC(=O)NC(C)C 2230a_100000747528_100000183996 [0,1,0,0,0,0|3,0,0]=4 4290 B14R0.391 COCCCCCNCC(=O)NC(C)C 34a_100000747528_100000183996 [0,1,0,0,0,0|3,0,0]=4 4291 B14R0.391 COCCCCCNCC(=O)OC(C)C 2230a_100000747528_100011215430 [0,1,0,0,0,0|2,0,0]=3 4292 B14R0.391 COCCCCCNCC(=O)OC(C)C 34a_100000747528_100011215430 [0,1,0,0,0,0|2,0,0]=3 4293 B14R0.391 COCCCCSCCC(=O)NC(C)C 62a_100000730899_100000737564 [0,1,0,0,0,0|3,0,0]=4 4294 B14R0.391 COCCCCSCCC(=O)NC(C)C 62a_100000737564_100000730899 [0,1,0,0,0,0|3,0,0]=4 4295 B14R0.391 COCCCCSCCC(=O)OC(C)C 62a_100000730899_100000760027 [0,1,0,0,0,0|2,0,0]=3 4296 B14R0.391 COCCCCSCCC(=O)OC(C)C 62a_100000760027_100000730899 [0,1,0,0,0,0|2,0,0]=3 4297 B14R0.391 COCCCCSCOC(=O)OC(C)C 62a_100000003507_100000730899 [0,1,0,0,0,0|3,0,0]=4 4298 B14R0.391 COCCCCSCOC(=O)OC(C)C 62a_100000730899_100000003507 [0,1,0,0,0,0|3,0,0]=4 4299 B14R0.391 COCCOCCNCC(=O)OC(C)C 2230a_100000745349_100011215430 [0,1,0,0,0,0|3,0,0]=4 4300 B14R0.391 COCCOCCNCC(=O)OC(C)C 34a_100000745349_100011215430 [0,1,0,0,0,0|3,0,0]=4 4301 B14R0.391 COCCOCCOCC(=O)OC(C)C 34a_100011215163_100011215430 [0,1,0,0,0,0|3,0,0]=4 4302 B14R0.391 COCCOCCOCC(=O)OC(C)C 7a_100011215163_100011215430 [0,1,0,0,0,0|3,0,0]=4 4303 B14R0.391 COCCOCCSCC(=O)OC(C)C 62a_100000695917_100011215430 [0,1,0,0,0,0|3,0,0]=4 4304 B14R0.391 COCCOCCSCC(=O)OC(C)C 62a_100011215430_100000695917 [0,1,0,0,0,0|3,0,0]=4 4305 B14R0.391 COCCOCSCCC(=O)OC(C)C 62a_100000231047_100000760027 [0,1,0,0,0,0|3,0,0]=4 4306 B14R0.391 COCCOCSCCC(=O)OC(C)C 62a_100000760027_100000231047 [0,1,0,0,0,0|3,0,0]=4 4307 B14R0.391 COCSCCCCCC(=O)OC(C)C 62a_100000766300_200010986244 [0,1,0,0,0,0|2,0,0]=3 4308 B14R0.391 COCSCCCCCC(=O)OC(C)C 62a_200010986244_100000766300 [0,1,0,0,0,0|2,0,0]=3 4309 B14R0.391 CSCCCCOCCC(=O)NC(C)C 7a_100011217163_100000737564 [0,1,0,0,0,0|3,0,0]=4 4310 B14R0.391 CSCCCCOCCC(=O)OC(C)C 7a_100011217163_100000760027 [0,1,0,0,0,0|2,0,0]=3 4311 B14R0.391 CSCSCCCCCC(=O)OC(C)C 62a_100011218213_200010986244 [0,1,0,0,0,0|2,0,0]=3 4312 B14R0.391 CSCSCCCCCC(=O)OC(C)C 62a_200010986244_100011218213 [0,1,0,0,0,0|2,0,0]=3 4313 B14R0.391 C[C@@H](O)CC(=O)CCCCCCCCO 1458a_100011933948_100000033203 [0,1,0,0,0,0|2,0,0]=3 4314 B14R0.391 C[C@@H](O)CC(=O)NCCCCCCCO 240690a_100011996573_100011933948 [0,1,0,0,0,0|3,0,0]=4 4315 B14R0.391 C[S+](C)CC(=O)CCCCCCCCO 1458a_200159257847_100000033203 [0,1,0,0,0,0|3,0,0]=4 4316 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000184674 [0,1,0,0,0,0|1,0,2]=4 4317 B14R0.393 C#CCC(=O)CCCCCCCCCC 1458a_100011220946_100000210319 [0,1,0,0,0,0|1,0,2]=4 4318 B14R0.393 C#CCC(=O)CCCCCCCCCF 1458a_200009909015_100000184674 [0,1,0,0,0,0|1,0,2]=4 4319 B14R0.393 C#CCC(=O)CCCCCCCCCO 1458a_100011220946_100009813782 [0,1,0,0,0,0|1,0,2]=4 4320 B14R0.393 C#CCC(=O)COCCCCCCCC 1458a_100000759886_100000184674 [0,1,0,0,0,0|1,0,2]=4 4321 B14R0.393 C#CCC(=O)NCCCCCCCCC 1626a_100000212291_100011220946 [0,1,0,0,0,0|1,0,2]=4 4322 B14R0.393 C#CCC(=O)NCCCCCCCCC 527a_100000212291_100011220946 [0,1,0,0,0,0|1,0,2]=4 4323 B14R0.393 C#CCCCCCCCCC(=O)CCC 1458a_100000029693_100000210303 [0,1,0,0,0,0|1,0,1]=3 4324 B14R0.393 C#CCCCCCCCCC(=O)CCF 1458a_100000029693_100011217306 [0,1,0,0,0,0|2,0,1]=4 4325 B14R0.393 C#CCCCCCCCCC(=O)CCO 1458a_100000029693_100000211926 [0,1,0,0,0,0|2,0,1]=4 4326 B14R0.393 C#CCCCCCCCCC(=O)NCC 11a_100015525214_100000029693 [0,1,0,0,0,0|1,0,1]=3 4327 B14R0.393 C#CCCCCCCCCC(=O)NCC 240690a_100015525214_100000029693 [0,1,0,0,0,0|1,0,1]=3 4328 B14R0.393 C#CCCCCCCCCC(=O)NCC 527a_100015525214_100000029693 [0,1,0,0,0,0|1,0,1]=3 4329 B14R0.393 C#CCCCCCCCCC(=O)NNC 22a_100016993582_100000029693 [0,1,0,0,0,0|2,0,1]=4 4330 B14R0.393 C#CCCCCCCNCC(=O)NCC 2230a_100016988866_100012276617 [0,1,0,0,0,0|1,0,2]=4 4331 B14R0.393 C#CCCCCCCOCC(=O)CCC 7a_100011217361_100000747444 [0,1,0,0,0,0|1,0,2]=4 4332 B14R0.393 C#CCCCCCCOCC(=O)NCC 34a_100011217361_100000183381 [0,1,0,0,0,0|1,0,2]=4 4333 B14R0.393 C#CCCCCCCOCC(=O)NCC 7a_100011217361_100000183381 [0,1,0,0,0,0|1,0,2]=4 4334 B14R0.393 C#CCCCCCCOCC(=O)OCC 34a_100011217361_100000188475 [0,1,0,0,0,0|0,0,2]=3 4335 B14R0.393 C#CCCCCCCOCC(=O)OCC 7a_100011217361_100000188475 [0,1,0,0,0,0|0,0,2]=3 4336 B14R0.393 C#CCCCCCCSCC(=O)CCC 62a_100000747444_100012276617 [0,1,0,0,0,0|1,0,2]=4 4337 B14R0.393 C#CCCCCCCSCC(=O)CCC 62a_100012276617_100000747444 [0,1,0,0,0,0|1,0,2]=4 4338 B14R0.393 C#CCCCCCCSCC(=O)NCC 62a_100000183381_100012276617 [0,1,0,0,0,0|1,0,2]=4 4339 B14R0.393 C#CCCCCCCSCC(=O)NCC 62a_100012276617_100000183381 [0,1,0,0,0,0|1,0,2]=4 4340 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100000188475_100012276617 [0,1,0,0,0,0|0,0,2]=3 4341 B14R0.393 C#CCCCCCCSCC(=O)OCC 62a_100012276617_100000188475 [0,1,0,0,0,0|0,0,2]=3 4342 B14R0.393 C#CCCCCCNCCC(=O)NCC 34a_100025743525_100012094781 [0,1,0,0,0,0|1,0,2]=4 4343 B14R0.393 C#CCCCCCOCCC(=O)NCC 7a_100000766912_100000737597 [0,1,0,0,0,0|1,0,2]=4 4344 B14R0.393 C#CCCCCCOCCC(=O)OCC 34a_100000766912_100000765890 [0,1,0,0,0,0|0,0,2]=3 4345 B14R0.393 C#CCCCCCOCCC(=O)OCC 7a_100000766912_100011206558 [0,1,0,0,0,0|0,0,2]=3 4346 B14R0.393 C#CCCCCCSCCC(=O)NCC 62a_100000737597_100012094781 [0,1,0,0,0,0|1,0,2]=4 4347 B14R0.393 C#CCCCCCSCCC(=O)NCC 62a_100012094781_100000737597 [0,1,0,0,0,0|1,0,2]=4 4348 B14R0.393 C#CCCCCCSCCC(=O)OCC 62a_100000765890_100012094781 [0,1,0,0,0,0|0,0,2]=3 4349 B14R0.393 C#CCCCCCSCCC(=O)OCC 62a_100012094781_100000765890 [0,1,0,0,0,0|0,0,2]=3 4350 B14R0.393 C#CCCCCCSCOC(=O)OCC 62a_100012094781_100000075025 [0,1,0,0,0,0|1,0,2]=4 4351 B14R0.393 C#CCCCCNCCCC(=O)OCC 2230a_100000706060_100009991533 [0,1,0,0,0,0|0,0,2]=3 4352 B14R0.393 C#CCCCCNCCCC(=O)OCC 34a_100000706060_100009991533 [0,1,0,0,0,0|0,0,2]=3 4353 B14R0.393 C#CCCCCOCCCC(=O)OCC 34a_100000766709_100009991533 [0,1,0,0,0,0|0,0,2]=3 4354 B14R0.393 C#CCCCCOCCCC(=O)OCC 7a_100000766709_100011215271 [0,1,0,0,0,0|0,0,2]=3 4355 B14R0.393 C#CCCCCOCCCC(=O)OCC 7a_100012001163_100010269958 [0,1,0,0,0,0|0,0,2]=3 4356 B14R0.393 C#CCCCCOCCNC(=O)OCC 34a_100000158857_100010269958 [0,1,0,0,0,0|1,0,2]=4 4357 B14R0.393 C#CCCCCOCCNC(=O)OCC 7a_100000766709_200011445536 [0,1,0,0,0,0|1,0,2]=4 4358 B14R0.393 C#CCCCCSCCCC(=O)OCC 62a_100009991533_100010269958 [0,1,0,0,0,0|0,0,2]=3 4359 B14R0.393 C#CCCCCSCCCC(=O)OCC 62a_100010269958_100009991533 [0,1,0,0,0,0|0,0,2]=3 4360 B14R0.393 C#CCCCCSCCNC(=O)OCC 62a_100010269958_200011445536 [0,1,0,0,0,0|1,0,2]=4 4361 B14R0.393 C#CCCCNCCCCC(=O)OCC 34a_100000718082_100000750268 [0,1,0,0,0,0|0,0,2]=3 4362 B14R0.393 C#CCCCNCCOCC(=O)OCC 34a_100000718082_100000088970 [0,1,0,0,0,0|1,0,2]=4 4363 B14R0.393 C#CCCCOCCCCC(=O)OCC 34a_100000215630_100000750268 [0,1,0,0,0,0|0,0,2]=3 4364 B14R0.393 C#CCCCOCCCCC(=O)OCC 7a_100000215630_100000750268 [0,1,0,0,0,0|0,0,2]=3 4365 B14R0.393 C#CCCCOCCOCC(=O)OCC 34a_100000215630_100000088970 [0,1,0,0,0,0|1,0,2]=4 4366 B14R0.393 C#CCCCOCCOCC(=O)OCC 7a_100000215630_100000088970 [0,1,0,0,0,0|1,0,2]=4 4367 B14R0.393 C#CCCCOCCSCC(=O)OCC 7a_200000230590_100011215417 [0,1,0,0,0,0|1,0,2]=4 4368 B14R0.393 C#CCCCSCCCCC(=O)OCC 62a_100000750268_100011215417 [0,1,0,0,0,0|0,0,2]=3 4369 B14R0.393 C#CCCCSCCCCC(=O)OCC 62a_100011215417_100000750268 [0,1,0,0,0,0|0,0,2]=3 4370 B14R0.393 C#CCCCSCCOCC(=O)OCC 62a_100000088970_100011215417 [0,1,0,0,0,0|1,0,2]=4 4371 B14R0.393 C#CCCCSCCOCC(=O)OCC 62a_100011215417_100000088970 [0,1,0,0,0,0|1,0,2]=4 4372 B14R0.393 C#CCCNCCCCCC(=O)OCC 34a_100000755551_100000755133 [0,1,0,0,0,0|0,0,2]=3 4373 B14R0.393 C#CCCNCCCOCC(=O)OCC 34a_100000755551_100009893628 [0,1,0,0,0,0|1,0,2]=4 4374 B14R0.393 C#CCCOCCCCCC(=O)OCC 34a_100011215631_100000755133 [0,1,0,0,0,0|0,0,2]=3 4375 B14R0.393 C#CCCOCCCCCC(=O)OCC 7a_100011214988_100000688953 [0,1,0,0,0,0|0,0,2]=3 4376 B14R0.393 C#CCCOCCCOCC(=O)OCC 34a_100011215631_100009893628 [0,1,0,0,0,0|1,0,2]=4 4377 B14R0.393 C#CCCSCCCCCC(=O)OCC 62a_100000688953_100000755133 [0,1,0,0,0,0|0,0,2]=3 4378 B14R0.393 C#CCCSCCCCCC(=O)OCC 62a_100000755133_100000688953 [0,1,0,0,0,0|0,0,2]=3 4379 B14R0.393 C#CCCSCCCOCC(=O)OCC 62a_100000688953_100009893628 [0,1,0,0,0,0|1,0,2]=4 4380 B14R0.393 C#CCCSCCCOCC(=O)OCC 62a_100009893628_100000688953 [0,1,0,0,0,0|1,0,2]=4 4381 B14R0.393 C#CCNCCCCCCC(=O)OCC 34a_100000212058_100009814379 [0,1,0,0,0,0|0,0,2]=3 4382 B14R0.393 C#CCOCCCCCCC(=O)OCC 34a_100000210247_100009814379 [0,1,0,0,0,0|0,0,2]=3 4383 B14R0.393 C#CCOCCNCCCC(=O)OCC 2230a_100000700922_100009991533 [0,1,0,0,0,0|1,0,2]=4 4384 B14R0.393 C#CCOCCNCCCC(=O)OCC 34a_100000700922_100009991533 [0,1,0,0,0,0|1,0,2]=4 4385 B14R0.393 C#CCOCCOCCCC(=O)OCC 34a_100000054580_100009991533 [0,1,0,0,0,0|1,0,2]=4 4386 B14R0.393 C#CCOCCOCCCC(=O)OCC 7a_100000054580_100011215271 [0,1,0,0,0,0|1,0,2]=4 4387 B14R0.393 C#CCOCCOCCCC(=O)OCC 7a_100012001163_100010402529 [0,1,0,0,0,0|1,0,2]=4 4388 B14R0.393 C#CCOCCSCCCC(=O)OCC 62a_100009991533_100010402529 [0,1,0,0,0,0|1,0,2]=4 4389 B14R0.393 C#CCOCCSCCCC(=O)OCC 62a_100010402529_100009991533 [0,1,0,0,0,0|1,0,2]=4 4390 B14R0.393 C#CCSCCCCCCC(=O)OCC 62a_100000038162_100009814379 [0,1,0,0,0,0|0,0,2]=3 4391 B14R0.393 C/C=C/CCOCCCCC(=O)OCC 34a_100016278192_100000750268 [0,1,0,0,0,0|0,0,2]=3 4392 B14R0.393 C/C=C/CCOCCOCC(=O)OCC 34a_100016278192_100000088970 [0,1,0,0,0,0|1,0,2]=4 4393 B14R0.393 C/C=C/COCCCCCC(=O)OCC 34a_100016270725_100000755133 [0,1,0,0,0,0|0,0,2]=3 4394 B14R0.393 C/C=C/COCCCCCC(=O)OCC 7a_100011214988_100102629194 [0,1,0,0,0,0|0,0,2]=3 4395 B14R0.393 C/C=C/COCCCOCC(=O)OCC 34a_100016270725_100009893628 [0,1,0,0,0,0|1,0,2]=4 4396 B14R0.393 C/C=C/CSCCCCCC(=O)OCC 62a_100000755133_100102629194 [0,1,0,0,0,0|0,0,2]=3 4397 B14R0.393 C/C=C/CSCCCCCC(=O)OCC 62a_100102629194_100000755133 [0,1,0,0,0,0|0,0,2]=3 4398 B14R0.393 C/C=C/CSCCCOCC(=O)OCC 62a_100009893628_100102629194 [0,1,0,0,0,0|1,0,2]=4 4399 B14R0.393 C/C=C/CSCCCOCC(=O)OCC 62a_100102629194_100009893628 [0,1,0,0,0,0|1,0,2]=4 4400 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210193_100000210319 [0,1,0,0,0,0|1,0,2]=4 4401 B14R0.393 C=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000210623 [0,1,0,0,0,0|1,0,2]=4 4402 B14R0.393 C=CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210623 [0,1,0,0,0,0|1,0,2]=4 4403 B14R0.393 C=CCC(=O)CCCCCCCCCO 1458a_100000210193_100009813782 [0,1,0,0,0,0|1,0,2]=4 4404 B14R0.393 C=CCC(=O)COCCCCCCCC 1458a_100000759886_100000210623 [0,1,0,0,0,0|1,0,2]=4 4405 B14R0.393 C=CCC(=O)NCCCCCCCCC 11a_100000212291_100000210193 [0,1,0,0,0,0|1,0,2]=4 4406 B14R0.393 C=CCC(=O)NCCCCCCCCC 1626a_100000212291_100000210193 [0,1,0,0,0,0|1,0,2]=4 4407 B14R0.393 C=CCC(=O)NCCCCCCCCC 240690a_100000212291_100000210193 [0,1,0,0,0,0|1,0,2]=4 4408 B14R0.393 C=CCC(=O)NCCCCCCCCC 527a_100000212291_100000210193 [0,1,0,0,0,0|1,0,2]=4 4409 B14R0.393 C=CCCCCCCCCC(=O)C#CC 1458a_100000763181_100011933949 [0,1,0,0,0,0|1,0,2]=4 4410 B14R0.393 C=CCCCCCCCCC(=O)C=CC 1458a_100000210699_100011933949 [0,1,0,0,0,0|1,0,2]=4 4411 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211349_100000210303 [0,1,0,0,0,0|1,0,1]=3 4412 B14R0.393 C=CCCCCCCCCC(=O)CCC 1458a_100000211992_100011933949 [0,1,0,0,0,0|1,0,1]=3 4413 B14R0.393 C=CCCCCCCCCC(=O)CCF 1458a_100000211349_100011217306 [0,1,0,0,0,0|2,0,1]=4 4414 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100000211349_100000211926 [0,1,0,0,0,0|2,0,1]=4 4415 B14R0.393 C=CCCCCCCCCC(=O)CCO 1458a_100011216618_100011933949 [0,1,0,0,0,0|2,0,1]=4 4416 B14R0.393 C=CCCCCCCCCC(=O)COC 1458a_100000210968_100011933949 [0,1,0,0,0,0|2,0,1]=4 4417 B14R0.393 C=CCCCCCCCCC(=O)CSC 1458a_100000184570_100011933949 [0,1,0,0,0,0|2,0,1]=4 4418 B14R0.393 C=CCCCCCCCCC(=O)NCC 11a_100015525214_100000211349 [0,1,0,0,0,0|1,0,1]=3 4419 B14R0.393 C=CCCCCCCCCC(=O)NCC 240690a_100015525214_100000211349 [0,1,0,0,0,0|1,0,1]=3 4420 B14R0.393 C=CCCCCCCCCC(=O)NCC 527a_100015525214_100000211349 [0,1,0,0,0,0|1,0,1]=3 4421 B14R0.393 C=CCCCCCCCCC(=O)NNC 22a_100016993582_100000211349 [0,1,0,0,0,0|2,0,1]=4 4422 B14R0.393 C=CCCCCCCNCC(=O)NCC 2230a_100016988866_100011215473 [0,1,0,0,0,0|1,0,2]=4 4423 B14R0.393 C=CCCCCCCOCC(=O)CCC 7a_200011216477_100000747444 [0,1,0,0,0,0|1,0,2]=4 4424 B14R0.393 C=CCCCCCCOCC(=O)NCC 34a_200011216477_100000183381 [0,1,0,0,0,0|1,0,2]=4 4425 B14R0.393 C=CCCCCCCOCC(=O)NCC 7a_200011216477_100000183381 [0,1,0,0,0,0|1,0,2]=4 4426 B14R0.393 C=CCCCCCCOCC(=O)OCC 34a_200011216477_100000188475 [0,1,0,0,0,0|0,0,2]=3 4427 B14R0.393 C=CCCCCCCOCC(=O)OCC 7a_200011216477_100000188475 [0,1,0,0,0,0|0,0,2]=3 4428 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100000747444_100011215473 [0,1,0,0,0,0|1,0,2]=4 4429 B14R0.393 C=CCCCCCCSCC(=O)CCC 62a_100011215473_100000747444 [0,1,0,0,0,0|1,0,2]=4 4430 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100000183381_100011215473 [0,1,0,0,0,0|1,0,2]=4 4431 B14R0.393 C=CCCCCCCSCC(=O)NCC 62a_100011215473_100000183381 [0,1,0,0,0,0|1,0,2]=4 4432 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100000188475_100011215473 [0,1,0,0,0,0|0,0,2]=3 4433 B14R0.393 C=CCCCCCCSCC(=O)OCC 62a_100011215473_100000188475 [0,1,0,0,0,0|0,0,2]=3 4434 B14R0.393 C=CCCCCCNCCC(=O)NCC 34a_100025743525_100000700193 [0,1,0,0,0,0|1,0,2]=4 4435 B14R0.393 C=CCCCCCOCCC(=O)NCC 7a_100011216702_100000737597 [0,1,0,0,0,0|1,0,2]=4 4436 B14R0.393 C=CCCCCCOCCC(=O)OCC 34a_100011216702_100000765890 [0,1,0,0,0,0|0,0,2]=3 4437 B14R0.393 C=CCCCCCOCCC(=O)OCC 7a_100011216702_100011206558 [0,1,0,0,0,0|0,0,2]=3 4438 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000700193_100000737597 [0,1,0,0,0,0|1,0,2]=4 4439 B14R0.393 C=CCCCCCSCCC(=O)NCC 62a_100000737597_100000700193 [0,1,0,0,0,0|1,0,2]=4 4440 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000700193_100000765890 [0,1,0,0,0,0|0,0,2]=3 4441 B14R0.393 C=CCCCCCSCCC(=O)OCC 62a_100000765890_100000700193 [0,1,0,0,0,0|0,0,2]=3 4442 B14R0.393 C=CCCCCCSCOC(=O)OCC 62a_100000700193_100000075025 [0,1,0,0,0,0|1,0,2]=4 4443 B14R0.393 C=CCCCCNCCCC(=O)OCC 2230a_100000703577_100009991533 [0,1,0,0,0,0|0,0,2]=3 4444 B14R0.393 C=CCCCCNCCCC(=O)OCC 34a_100000703577_100009991533 [0,1,0,0,0,0|0,0,2]=3 4445 B14R0.393 C=CCCCCOCCCC(=O)OCC 34a_100000766645_100009991533 [0,1,0,0,0,0|0,0,2]=3 4446 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100000766645_100011215271 [0,1,0,0,0,0|0,0,2]=3 4447 B14R0.393 C=CCCCCOCCCC(=O)OCC 7a_100012001163_100011215482 [0,1,0,0,0,0|0,0,2]=3 4448 B14R0.393 C=CCCCCOCCNC(=O)OCC 34a_100000158857_100011215482 [0,1,0,0,0,0|1,0,2]=4 4449 B14R0.393 C=CCCCCOCCNC(=O)OCC 7a_100000766645_200011445536 [0,1,0,0,0,0|1,0,2]=4 4450 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100009991533_100011215482 [0,1,0,0,0,0|0,0,2]=3 4451 B14R0.393 C=CCCCCSCCCC(=O)OCC 62a_100011215482_100009991533 [0,1,0,0,0,0|0,0,2]=3 4452 B14R0.393 C=CCCCCSCCNC(=O)OCC 62a_100011215482_200011445536 [0,1,0,0,0,0|1,0,2]=4 4453 B14R0.393 C=CCCCNCCCCC(=O)OCC 2230a_100000700776_100000750268 [0,1,0,0,0,0|0,0,2]=3 4454 B14R0.393 C=CCCCNCCCCC(=O)OCC 34a_100000700776_100000750268 [0,1,0,0,0,0|0,0,2]=3 4455 B14R0.393 C=CCCCNCCOCC(=O)OCC 2230a_100000700776_100000088970 [0,1,0,0,0,0|1,0,2]=4 4456 B14R0.393 C=CCCCNCCOCC(=O)OCC 34a_100000700776_100000088970 [0,1,0,0,0,0|1,0,2]=4 4457 B14R0.393 C=CCCCOCCCCC(=O)OCC 34a_100000758997_100000750268 [0,1,0,0,0,0|0,0,2]=3 4458 B14R0.393 C=CCCCOCCCCC(=O)OCC 7a_100000758997_100000750268 [0,1,0,0,0,0|0,0,2]=3 4459 B14R0.393 C=CCCCOCCOCC(=O)OCC 34a_100000758997_100000088970 [0,1,0,0,0,0|1,0,2]=4 4460 B14R0.393 C=CCCCOCCOCC(=O)OCC 7a_100000758997_100000088970 [0,1,0,0,0,0|1,0,2]=4 4461 B14R0.393 C=CCCCOCCSCC(=O)OCC 7a_200000230590_100000757094 [0,1,0,0,0,0|1,0,2]=4 4462 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100000750268_100000757094 [0,1,0,0,0,0|0,0,2]=3 4463 B14R0.393 C=CCCCSCCCCC(=O)OCC 62a_100011713584_100000750268 [0,1,0,0,0,0|0,0,2]=3 4464 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100000088970_100000757094 [0,1,0,0,0,0|1,0,2]=4 4465 B14R0.393 C=CCCCSCCOCC(=O)OCC 62a_100011713584_100000088970 [0,1,0,0,0,0|1,0,2]=4 4466 B14R0.393 C=CCCNCCCCCC(=O)OCC 2230a_100015191253_100000755133 [0,1,0,0,0,0|0,0,2]=3 4467 B14R0.393 C=CCCNCCCOCC(=O)OCC 2230a_100015191253_100009893628 [0,1,0,0,0,0|1,0,2]=4 4468 B14R0.393 C=CCCOCCCCCC(=O)OCC 34a_100011205117_100000755133 [0,1,0,0,0,0|0,0,2]=3 4469 B14R0.393 C=CCCOCCCCCC(=O)OCC 7a_100011214988_100000754431 [0,1,0,0,0,0|0,0,2]=3 4470 B14R0.393 C=CCCOCCCOCC(=O)OCC 34a_100011205117_100009893628 [0,1,0,0,0,0|1,0,2]=4 4471 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000754431_100000755133 [0,1,0,0,0,0|0,0,2]=3 4472 B14R0.393 C=CCCSCCCCCC(=O)OCC 62a_100000755133_100000754431 [0,1,0,0,0,0|0,0,2]=3 4473 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100000754431_100009893628 [0,1,0,0,0,0|1,0,2]=4 4474 B14R0.393 C=CCCSCCCOCC(=O)OCC 62a_100009893628_100000754431 [0,1,0,0,0,0|1,0,2]=4 4475 B14R0.393 C=CCNCCCCCCC(=O)OCC 2230a_100020586998_100009814379 [0,1,0,0,0,0|0,0,2]=3 4476 B14R0.393 C=CCOCCCCCCC(=O)OCC 34a_200000210373_100009814379 [0,1,0,0,0,0|0,0,2]=3 4477 B14R0.393 C=CCOCCOCCCC(=O)OCC 34a_100000037705_100009991533 [0,1,0,0,0,0|1,0,2]=4 4478 B14R0.393 C=CCOCCOCCCC(=O)OCC 7a_100000037705_100011215271 [0,1,0,0,0,0|1,0,2]=4 4479 B14R0.393 C=CCSCCCCCCC(=O)OCC 62a_100000210623_100009814379 [0,1,0,0,0,0|0,0,2]=3 4480 B14R0.393 C=COC(=O)CNCCCCCCCC 2230a_100000229939_100000036128 [0,1,0,0,0,0|0,0,2]=3 4481 B14R0.393 C=COC(=O)CNCCCCCCCC 34a_100000229939_100000036128 [0,1,0,0,0,0|0,0,2]=3 4482 B14R0.393 C=COC(=O)CNCCCCCCCO 2230a_100011996573_100000036128 [0,1,0,0,0,0|1,0,2]=4 4483 B14R0.393 C=COC(=O)CNCCCCCCCO 34a_100011996573_100000036128 [0,1,0,0,0,0|1,0,2]=4 4484 B14R0.393 C=COC(=O)CNCCCOCCCC 2230a_200000211371_100000036128 [0,1,0,0,0,0|1,0,2]=4 4485 B14R0.393 C=COC(=O)CNCCCOCCCC 34a_200000211371_100000036128 [0,1,0,0,0,0|1,0,2]=4 4486 B14R0.393 C=COC(=O)COCCCCCCCBr 34a_100000760002_100000036128 [0,1,0,0,0,0|1,0,2]=4 4487 B14R0.393 C=COC(=O)COCCCCCCCC 34a_100000210232_100000036128 [0,1,0,0,0,0|0,0,2]=3 4488 B14R0.393 C=COC(=O)COCCCCCCCN 34a_100011996573_100000036128 [0,1,0,0,0,0|1,0,2]=4 4489 B14R0.393 C=COC(=O)COCCCCCCOC 34a_200012092642_100000036128 [0,1,0,0,0,0|1,0,2]=4 4490 B14R0.393 C=COC(=O)COCCCOCCCC 34a_200011215613_100000036128 [0,1,0,0,0,0|1,0,2]=4 4491 B14R0.393 C=COC(=O)COCCNCCCCC 34a_100000224656_100000036128 [0,1,0,0,0,0|1,0,2]=4 4492 B14R0.393 C=COC(=O)COCCOCCCCC 34a_100011215259_100000036128 [0,1,0,0,0,0|1,0,2]=4 4493 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000036128_100000210317 [0,1,0,0,0,0|0,0,2]=3 4494 B14R0.393 C=COC(=O)CSCCCCCCCC 62a_100000210759_100000036128 [0,1,0,0,0,0|0,0,2]=3 4495 B14R0.393 C=COC(=O)CSCCCCCCCO 62a_100000036128_100000760002 [0,1,0,0,0,0|1,0,2]=4 4496 B14R0.393 C=COC(=O)CSCCCCCCCO 62a_100000760002_100000036128 [0,1,0,0,0,0|1,0,2]=4 4497 B14R0.393 C=COC(=O)CSCCCCCCOC 62a_100000036128_100011998445 [0,1,0,0,0,0|1,0,2]=4 4498 B14R0.393 C=COC(=O)CSCCCCCCOC 62a_100011998445_100000036128 [0,1,0,0,0,0|1,0,2]=4 4499 B14R0.393 C=COCCCCOCCC(=O)OCC 34a_100000031558_100000765890 [0,1,0,0,0,0|1,0,2]=4 4500 B14R0.393 C=COCCCCOCCC(=O)OCC 7a_100000031558_100011206558 [0,1,0,0,0,0|1,0,2]=4 4501 B14R0.393 C=COCCCNCCCC(=O)OCC 2230a_100000210767_100009991533 [0,1,0,0,0,0|1,0,2]=4 4502 B14R0.393 C=COCCCNCCCC(=O)OCC 34a_100000210767_100009991533 [0,1,0,0,0,0|1,0,2]=4 4503 B14R0.393 C=COCCOCCCCC(=O)OCC 34a_100000033082_100000750268 [0,1,0,0,0,0|1,0,2]=4 4504 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000039644_100000750268 [0,1,0,0,0,0|1,0,2]=4 4505 B14R0.393 C=COCCSCCCCC(=O)OCC 62a_100000750268_100000039644 [0,1,0,0,0,0|1,0,2]=4 4506 B14R0.393 CC#CC(=O)CCCCCCC#CCC 1458a_100000763181_200000036426 [0,1,0,0,0,0|1,0,2]=4 4507 B14R0.393 CC#CC(=O)CCCCCCCCCC 1458a_100000763181_100000210319 [0,1,0,0,0,0|1,0,1]=3 4508 B14R0.393 CC#CC(=O)CCCCCCCCCO 1458a_100000763181_100009813782 [0,1,0,0,0,0|1,0,1]=3 4509 B14R0.393 CC#CCCCCCCCC(=O)CCC 1458a_100000066323_100000210303 [0,1,0,0,0,0|1,0,1]=3 4510 B14R0.393 CC#CCCCCCCCC(=O)CCF 1458a_100000066323_100011217306 [0,1,0,0,0,0|2,0,1]=4 4511 B14R0.393 CC#CCCCCCCCC(=O)CCO 1458a_100000066323_100000211926 [0,1,0,0,0,0|2,0,1]=4 4512 B14R0.393 CC#CCCCCCCCC(=O)NCC 11a_100015525214_100000066323 [0,1,0,0,0,0|1,0,1]=3 4513 B14R0.393 CC#CCCCCCCCC(=O)NCC 240690a_100015525214_100000066323 [0,1,0,0,0,0|1,0,1]=3 4514 B14R0.393 CC#CCCCCCCCC(=O)NCC 527a_100015525214_100000066323 [0,1,0,0,0,0|1,0,1]=3 4515 B14R0.393 CC#CCCOCCCCC(=O)OCC 34a_100000750427_100000750268 [0,1,0,0,0,0|0,0,2]=3 4516 B14R0.393 CC#CCCOCCOCC(=O)OCC 34a_100000750427_100000088970 [0,1,0,0,0,0|1,0,2]=4 4517 B14R0.393 CC#CCNCCCCCC(=O)OCC 2230a_100000685387_100000755133 [0,1,0,0,0,0|0,0,2]=3 4518 B14R0.393 CC#CCNCCCCCC(=O)OCC 34a_100000685387_100000755133 [0,1,0,0,0,0|0,0,2]=3 4519 B14R0.393 CC#CCNCCCOCC(=O)OCC 2230a_100000685387_100009893628 [0,1,0,0,0,0|1,0,2]=4 4520 B14R0.393 CC#CCNCCCOCC(=O)OCC 34a_100000685387_100009893628 [0,1,0,0,0,0|1,0,2]=4 4521 B14R0.393 CC#CCOCCCCCC(=O)OCC 34a_100000761923_100000755133 [0,1,0,0,0,0|0,0,2]=3 4522 B14R0.393 CC#CCOCCCCCC(=O)OCC 7a_100011214988_100000748600 [0,1,0,0,0,0|0,0,2]=3 4523 B14R0.393 CC#CCOCCCOCC(=O)OCC 34a_100000761923_100009893628 [0,1,0,0,0,0|1,0,2]=4 4524 B14R0.393 CC#CCSCCCCCC(=O)OCC 62a_100000748600_100000755133 [0,1,0,0,0,0|0,0,2]=3 4525 B14R0.393 CC#CCSCCCCCC(=O)OCC 62a_100000755133_100000748600 [0,1,0,0,0,0|0,0,2]=3 4526 B14R0.393 CC#CCSCCCOCC(=O)OCC 62a_100000748600_100009893628 [0,1,0,0,0,0|1,0,2]=4 4527 B14R0.393 CC#CCSCCCOCC(=O)OCC 62a_100009893628_100000748600 [0,1,0,0,0,0|1,0,2]=4 4528 B14R0.393 CC/C=C/CCCOCCC(=O)NCC 7a_100016287902_100000737597 [0,1,0,0,0,0|1,0,2]=4 4529 B14R0.393 CC/C=C/CCCOCCC(=O)OCC 34a_100016287902_100000765890 [0,1,0,0,0,0|0,0,2]=3 4530 B14R0.393 CC/C=C/CCCOCCC(=O)OCC 7a_100016287902_100011206558 [0,1,0,0,0,0|0,0,2]=3 4531 B14R0.393 CC/C=C\CCCCOCC(=O)CCC 7a_100016287862_100000747444 [0,1,0,0,0,0|1,0,2]=4 4532 B14R0.393 CC/C=C\CCCCOCC(=O)NCC 34a_100016287862_100000183381 [0,1,0,0,0,0|1,0,2]=4 4533 B14R0.393 CC/C=C\CCCCOCC(=O)NCC 7a_100016287862_100000183381 [0,1,0,0,0,0|1,0,2]=4 4534 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 34a_100016287862_100000188475 [0,1,0,0,0,0|0,0,2]=3 4535 B14R0.393 CC/C=C\CCCCOCC(=O)OCC 7a_100016287862_100000188475 [0,1,0,0,0,0|0,0,2]=3 4536 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 34a_100016288707_100009991533 [0,1,0,0,0,0|0,0,2]=3 4537 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 7a_100012001163_100015370543 [0,1,0,0,0,0|0,0,2]=3 4538 B14R0.393 CC/C=C\CCOCCCC(=O)OCC 7a_100016288707_100011215271 [0,1,0,0,0,0|0,0,2]=3 4539 B14R0.393 CC/C=C\CCOCCNC(=O)OCC 34a_100000158857_100015370543 [0,1,0,0,0,0|1,0,2]=4 4540 B14R0.393 CC/C=C\CCOCCNC(=O)OCC 7a_100016288707_200011445536 [0,1,0,0,0,0|1,0,2]=4 4541 B14R0.393 CC/C=C\CCSCCCC(=O)OCC 62a_100009991533_100015370543 [0,1,0,0,0,0|0,0,2]=3 4542 B14R0.393 CC/C=C\CCSCCCC(=O)OCC 62a_100015370543_100009991533 [0,1,0,0,0,0|0,0,2]=3 4543 B14R0.393 CC/C=C\CCSCCNC(=O)OCC 62a_100015370543_200011445536 [0,1,0,0,0,0|1,0,2]=4 4544 B14R0.393 CC/C=C\COCCCCC(=O)OCC 34a_100016268518_100000750268 [0,1,0,0,0,0|0,0,2]=3 4545 B14R0.393 CC/C=C\COCCOCC(=O)OCC 34a_100016268518_100000088970 [0,1,0,0,0,0|1,0,2]=4 4546 B14R0.393 CC/C=C\COCCSCC(=O)OCC 7a_200000230590_100103147603 [0,1,0,0,0,0|1,0,2]=4 4547 B14R0.393 CC/C=C\CSCCCCC(=O)OCC 62a_100000750268_100103147603 [0,1,0,0,0,0|0,0,2]=3 4548 B14R0.393 CC/C=C\CSCCCCC(=O)OCC 62a_100103147603_100000750268 [0,1,0,0,0,0|0,0,2]=3 4549 B14R0.393 CC/C=C\CSCCOCC(=O)OCC 62a_100000088970_100103147603 [0,1,0,0,0,0|1,0,2]=4 4550 B14R0.393 CC/C=C\CSCCOCC(=O)OCC 62a_100103147603_100000088970 [0,1,0,0,0,0|1,0,2]=4 4551 B14R0.393 CC=C=CCCOCCCC(=O)OCC 34a_100011020354_100009991533 [0,1,0,0,0,0|0,0,3]=4 4552 B14R0.393 CC=CC(=O)CCCCCCC#CCC 1458a_100000210699_200000036426 [0,1,0,0,0,0|1,0,2]=4 4553 B14R0.393 CC=CC(=O)CCCCCCCCCC 1458a_100000210699_100000210319 [0,1,0,0,0,0|1,0,1]=3 4554 B14R0.393 CC=CC(=O)CCCCCCCCCO 1458a_100000210699_100009813782 [0,1,0,0,0,0|1,0,1]=3 4555 B14R0.393 CC=CC(=O)NCCCCCCCCC 11a_100000212291_100000210699 [0,1,0,0,0,0|1,0,1]=3 4556 B14R0.393 CC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000210699 [0,1,0,0,0,0|1,0,1]=3 4557 B14R0.393 CC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000210699 [0,1,0,0,0,0|1,0,1]=3 4558 B14R0.393 CC=CC(=O)NCCCCCCCCO 240690a_102515433106_100000210699 [0,1,0,0,0,0|2,0,1]=4 4559 B14R0.393 CC=CCCCOCCCC(=O)OCC 34a_100020645299_100009991533 [0,1,0,0,0,0|0,0,2]=3 4560 B14R0.393 CC=CCOCCCCCC(=O)OCC 7a_100011214988_100000070051 [0,1,0,0,0,0|0,0,2]=3 4561 B14R0.393 CC=CCSCCCCCC(=O)OCC 62a_100000070051_100000755133 [0,1,0,0,0,0|0,0,2]=3 4562 B14R0.393 CC=CCSCCCCCC(=O)OCC 62a_100000755133_100000070051 [0,1,0,0,0,0|0,0,2]=3 4563 B14R0.393 CC=CCSCCCOCC(=O)OCC 62a_100000070051_100009893628 [0,1,0,0,0,0|1,0,2]=4 4564 B14R0.393 CC=CCSCCCOCC(=O)OCC 62a_100009893628_100000070051 [0,1,0,0,0,0|1,0,2]=4 4565 B14R0.393 CCC#CCCCCCCC(=O)CCC 1458a_100000211992_200000036426 [0,1,0,0,0,0|1,0,1]=3 4566 B14R0.393 CCC#CCCCCCCC(=O)CCO 1458a_100011216618_200000036426 [0,1,0,0,0,0|2,0,1]=4 4567 B14R0.393 CCC#CCCCCCCC(=O)COC 1458a_100000210968_200000036426 [0,1,0,0,0,0|2,0,1]=4 4568 B14R0.393 CCC#CCCCCCCC(=O)CSC 1458a_100000184570_200000036426 [0,1,0,0,0,0|2,0,1]=4 4569 B14R0.393 CCC#CCCOCCCC(=O)OCC 34a_100000036655_100009991533 [0,1,0,0,0,0|0,0,2]=3 4570 B14R0.393 CCC#CCCOCCCC(=O)OCC 7a_100000036655_100011215271 [0,1,0,0,0,0|0,0,2]=3 4571 B14R0.393 CCC#CCCOCCNC(=O)OCC 7a_100000036655_200011445536 [0,1,0,0,0,0|1,0,2]=4 4572 B14R0.393 CCC#CCOCCCCC(=O)OCC 34a_100000032950_100000750268 [0,1,0,0,0,0|0,0,2]=3 4573 B14R0.393 CCC#CCOCCOCC(=O)OCC 34a_100000032950_100000088970 [0,1,0,0,0,0|1,0,2]=4 4574 B14R0.393 CCC#CCOCCSCC(=O)OCC 7a_200000230590_100009813939 [0,1,0,0,0,0|1,0,2]=4 4575 B14R0.393 CCC#CCSCCCCC(=O)OCC 62a_100000750268_100009813939 [0,1,0,0,0,0|0,0,2]=3 4576 B14R0.393 CCC#CCSCCCCC(=O)OCC 62a_100009813939_100000750268 [0,1,0,0,0,0|0,0,2]=3 4577 B14R0.393 CCC#CCSCCOCC(=O)OCC 62a_100000088970_100009813939 [0,1,0,0,0,0|1,0,2]=4 4578 B14R0.393 CCC#CCSCCOCC(=O)OCC 62a_100009813939_100000088970 [0,1,0,0,0,0|1,0,2]=4 4579 B14R0.393 CCC/C=C/COCCCC(=O)OCC 34a_100016278788_100009991533 [0,1,0,0,0,0|0,0,2]=3 4580 B14R0.393 CCC/C=C/COCCCC(=O)OCC 7a_100016278788_100011215271 [0,1,0,0,0,0|0,0,2]=3 4581 B14R0.393 CCC/C=C/COCCNC(=O)OCC 7a_100016278788_200011445536 [0,1,0,0,0,0|1,0,2]=4 4582 B14R0.393 CCCC#CCCOCCC(=O)NCC 7a_100000042726_100000737597 [0,1,0,0,0,0|1,0,2]=4 4583 B14R0.393 CCCC#CCCOCCC(=O)OCC 34a_100000042726_100000765890 [0,1,0,0,0,0|0,0,2]=3 4584 B14R0.393 CCCC#CCCOCCC(=O)OCC 7a_100000042726_100011206558 [0,1,0,0,0,0|0,0,2]=3 4585 B14R0.393 CCCC#CCOCCCC(=O)OCC 34a_100000034806_100009991533 [0,1,0,0,0,0|0,0,2]=3 4586 B14R0.393 CCCC#CCOCCCC(=O)OCC 7a_100000034806_100011215271 [0,1,0,0,0,0|0,0,2]=3 4587 B14R0.393 CCCC#CCOCCNC(=O)OCC 7a_100000034806_200011445536 [0,1,0,0,0,0|1,0,2]=4 4588 B14R0.393 CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210303 [0,1,0,0,0,0|1,0,0]=2 4589 B14R0.393 CCCC(=O)CCCCCCCCCO 1458a_100000211992_100009813782 [0,1,0,0,0,0|1,0,0]=2 4590 B14R0.393 CCCC(=O)CCOCCOCCOC 1458a_100000211992_100013367474 [0,1,0,0,0,0|3,0,0]=4 4591 B14R0.393 CCCC(=O)CCOCCOCCOC 1458a_100012278103_100000210303 [0,1,0,0,0,0|3,0,0]=4 4592 B14R0.393 CCCC(=O)CNCCCCCCCO 2230a_100011996573_100000747444 [0,1,0,0,0,0|2,0,0]=3 4593 B14R0.393 CCCC(=O)CNCCCOCCCO 2230a_100011310245_100000747444 [0,1,0,0,0,0|3,0,0]=4 4594 B14R0.393 CCCC(=O)CNCCCOCCOC 2230a_100000206027_100000747444 [0,1,0,0,0,0|3,0,0]=4 4595 B14R0.393 CCCC(=O)CNCCOCCOCC 2230a_100102712874_100000747444 [0,1,0,0,0,0|3,0,0]=4 4596 B14R0.393 CCCC(=O)COCCCCCCCBr 7a_100000760002_100000747444 [0,1,0,0,0,0|2,0,0]=3 4597 B14R0.393 CCCC(=O)COCCCCCCOC 7a_200012092642_100000747444 [0,1,0,0,0,0|2,0,0]=3 4598 B14R0.393 CCCC(=O)COCCOCCOCC 7a_100000210240_100000747444 [0,1,0,0,0,0|3,0,0]=4 4599 B14R0.393 CCCC(=O)CSCCCCCCC#N 62a_100000747444_100009813337 [0,1,0,0,0,0|2,0,1]=4 4600 B14R0.393 CCCC(=O)CSCCCCCCC#N 62a_100009813337_100000747444 [0,1,0,0,0,0|2,0,1]=4 4601 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000747444_100000760002 [0,1,0,0,0,0|2,0,0]=3 4602 B14R0.393 CCCC(=O)CSCCCCCCCO 62a_100000760002_100000747444 [0,1,0,0,0,0|2,0,0]=3 4603 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100000747444_100011998445 [0,1,0,0,0,0|2,0,0]=3 4604 B14R0.393 CCCC(=O)CSCCCCCCOC 62a_100011998445_100000747444 [0,1,0,0,0,0|2,0,0]=3 4605 B14R0.393 CCCC(=O)CSCCCOCCOC 62a_100000747444_100011216529 [0,1,0,0,0,0|3,0,0]=4 4606 B14R0.393 CCCC(=O)CSCCCOCCOC 62a_100011216529_100000747444 [0,1,0,0,0,0|3,0,0]=4 4607 B14R0.393 CCCC(=O)CSCCOCCOCC 62a_100000747444_100011211534 [0,1,0,0,0,0|3,0,0]=4 4608 B14R0.393 CCCC(=O)CSCCOCCOCC 62a_100011211534_100000747444 [0,1,0,0,0,0|3,0,0]=4 4609 B14R0.393 CCCC(=O)NCCCCCCCCO 240690a_102515433106_100000211992 [0,1,0,0,0,0|2,0,0]=3 4610 B14R0.393 CCCC(=O)OCNCCCCCCO 2230a_100000686447_100000034017 [0,1,0,0,0,0|3,0,0]=4 4611 B14R0.393 CCCC(=O)OCNCCCCCCO 34a_100000686447_100000034017 [0,1,0,0,0,0|3,0,0]=4 4612 B14R0.393 CCCC(=O)OCNCCCCCOC 2230a_100000747528_100000034017 [0,1,0,0,0,0|3,0,0]=4 4613 B14R0.393 CCCC(=O)OCNCCCCCOC 34a_100000747528_100000034017 [0,1,0,0,0,0|3,0,0]=4 4614 B14R0.393 CCCC(=O)OCOCCCCCCBr 34a_100011215345_100000034017 [0,1,0,0,0,0|3,0,0]=4 4615 B14R0.393 CCCC(=O)OCOCCCCCCCl 34a_100000766143_100000034017 [0,1,0,0,0,0|3,0,0]=4 4616 B14R0.393 CCCC(=O)OCOCCCCCCF 34a_100000732779_100000034017 [0,1,0,0,0,0|3,0,0]=4 4617 B14R0.393 CCCC(=O)OCOCCCCCCN 34a_100000686447_100000034017 [0,1,0,0,0,0|3,0,0]=4 4618 B14R0.393 CCCC(=O)OCOCCCCCNC 34a_100000722520_100000034017 [0,1,0,0,0,0|3,0,0]=4 4619 B14R0.393 CCCC(=O)OCSCCCCCCF 62a_100015922095_100000034017 [0,1,0,0,0,0|3,0,0]=4 4620 B14R0.393 CCCC(=O)OCSCCCCCCO 62a_100000766143_100000034017 [0,1,0,0,0,0|3,0,0]=4 4621 B14R0.393 CCCC/C=C/COCCC(=O)NCC 7a_200016272032_100000737597 [0,1,0,0,0,0|1,0,2]=4 4622 B14R0.393 CCCC/C=C/COCCC(=O)OCC 34a_200016272032_100000765890 [0,1,0,0,0,0|0,0,2]=3 4623 B14R0.393 CCCC/C=C/COCCC(=O)OCC 7a_200016272032_100011206558 [0,1,0,0,0,0|0,0,2]=3 4624 B14R0.393 CCCC/C=C\CCOCC(=O)CCC 7a_200016286491_100000747444 [0,1,0,0,0,0|1,0,2]=4 4625 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 34a_200016286491_100000183381 [0,1,0,0,0,0|1,0,2]=4 4626 B14R0.393 CCCC/C=C\CCOCC(=O)NCC 7a_200016286491_100000183381 [0,1,0,0,0,0|1,0,2]=4 4627 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 34a_200016286491_100000188475 [0,1,0,0,0,0|0,0,2]=3 4628 B14R0.393 CCCC/C=C\CCOCC(=O)OCC 7a_200016286491_100000188475 [0,1,0,0,0,0|0,0,2]=3 4629 B14R0.393 CCCCC#CCCOCC(=O)CCC 7a_100000037610_100000747444 [0,1,0,0,0,0|1,0,2]=4 4630 B14R0.393 CCCCC#CCCOCC(=O)NCC 34a_100000037610_100000183381 [0,1,0,0,0,0|1,0,2]=4 4631 B14R0.393 CCCCC#CCCOCC(=O)NCC 7a_100000037610_100000183381 [0,1,0,0,0,0|1,0,2]=4 4632 B14R0.393 CCCCC#CCCOCC(=O)OCC 34a_100000037610_100000188475 [0,1,0,0,0,0|0,0,2]=3 4633 B14R0.393 CCCCC#CCCOCC(=O)OCC 7a_100000037610_100000188475 [0,1,0,0,0,0|0,0,2]=3 4634 B14R0.393 CCCCC#CCOCCC(=O)NCC 7a_200000034558_100000737597 [0,1,0,0,0,0|1,0,2]=4 4635 B14R0.393 CCCCC#CCOCCC(=O)OCC 34a_200000034558_100000765890 [0,1,0,0,0,0|0,0,2]=3 4636 B14R0.393 CCCCC#CCOCCC(=O)OCC 7a_200000034558_100011206558 [0,1,0,0,0,0|0,0,2]=3 4637 B14R0.393 CCCCC/C=C/COCC(=O)CCC 7a_100016258190_100000747444 [0,1,0,0,0,0|1,0,2]=4 4638 B14R0.393 CCCCC/C=C/COCC(=O)NCC 34a_100016258190_100000183381 [0,1,0,0,0,0|1,0,2]=4 4639 B14R0.393 CCCCC/C=C/COCC(=O)NCC 7a_100016258190_100000183381 [0,1,0,0,0,0|1,0,2]=4 4640 B14R0.393 CCCCC/C=C/COCC(=O)OCC 34a_100016258190_100000188475 [0,1,0,0,0,0|0,0,2]=3 4641 B14R0.393 CCCCC/C=C/COCC(=O)OCC 7a_100016258190_100000188475 [0,1,0,0,0,0|0,0,2]=3 4642 B14R0.393 CCCCCC#CCNCC(=O)NCC 2230a_100016988866_100009816472 [0,1,0,0,0,0|1,0,2]=4 4643 B14R0.393 CCCCCC#CCOCC(=O)CCC 7a_200000033628_100000747444 [0,1,0,0,0,0|1,0,2]=4 4644 B14R0.393 CCCCCC#CCOCC(=O)NCC 34a_200000033628_100000183381 [0,1,0,0,0,0|1,0,2]=4 4645 B14R0.393 CCCCCC#CCOCC(=O)NCC 7a_200000033628_100000183381 [0,1,0,0,0,0|1,0,2]=4 4646 B14R0.393 CCCCCC#CCOCC(=O)OCC 34a_200000033628_100000188475 [0,1,0,0,0,0|0,0,2]=3 4647 B14R0.393 CCCCCC#CCOCC(=O)OCC 7a_200000033628_100000188475 [0,1,0,0,0,0|0,0,2]=3 4648 B14R0.393 CCCCCC#CCSCC(=O)CCC 62a_100000747444_100009816472 [0,1,0,0,0,0|1,0,2]=4 4649 B14R0.393 CCCCCC#CCSCC(=O)CCC 62a_100009816472_100000747444 [0,1,0,0,0,0|1,0,2]=4 4650 B14R0.393 CCCCCC#CCSCC(=O)NCC 62a_100000183381_100009816472 [0,1,0,0,0,0|1,0,2]=4 4651 B14R0.393 CCCCCC#CCSCC(=O)NCC 62a_100009816472_100000183381 [0,1,0,0,0,0|1,0,2]=4 4652 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100000188475_100009816472 [0,1,0,0,0,0|0,0,2]=3 4653 B14R0.393 CCCCCC#CCSCC(=O)OCC 62a_100009816472_100000188475 [0,1,0,0,0,0|0,0,2]=3 4654 B14R0.393 CCCCCCCC=NNC(=O)CCC 4a_100000189770_100000210592 [0,1,0,0,0,0|2,0,1]=4 4655 B14R0.393 CCCCCCCCC=CC(=O)CCC 1458a_100015345288_100000210303 [0,1,0,0,0,0|1,0,1]=3 4656 B14R0.393 CCCCCCCCC=CC(=O)CCF 1458a_100015345288_100011217306 [0,1,0,0,0,0|2,0,1]=4 4657 B14R0.393 CCCCCCCCC=CC(=O)CCO 1458a_100015345288_100000211926 [0,1,0,0,0,0|2,0,1]=4 4658 B14R0.393 CCCCCCCCC=CC(=O)NCC 11a_100015525214_100015345288 [0,1,0,0,0,0|1,0,1]=3 4659 B14R0.393 CCCCCCCCC=CC(=O)NCC 240690a_100015525214_100015345288 [0,1,0,0,0,0|1,0,1]=3 4660 B14R0.393 CCCCCCCCC=CC(=O)NNC 22a_100016993582_100015345288 [0,1,0,0,0,0|2,0,1]=4 4661 B14R0.393 CCCCCCCCCCC(=O)C=CBr 1458a_100016273825_100000210319 [0,1,0,0,0,0|2,0,1]=4 4662 B14R0.393 CCCCCCCCCCC(=O)C=CCl 1458a_200016279998_100000210319 [0,1,0,0,0,0|2,0,1]=4 4663 B14R0.393 CCCCCCCCCCC(=O)C=CI 1458a_100016256311_100000210319 [0,1,0,0,0,0|2,0,1]=4 4664 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100000210375_100011214920 [0,1,0,0,0,0|2,0,1]=4 4665 B14R0.393 CCCCCCCCCCC(=O)CC#N 1458a_100051588842_100000210319 [0,1,0,0,0,0|2,0,1]=4 4666 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000210375_100000210303 [0,1,0,0,0,0|1,0,0]=2 4667 B14R0.393 CCCCCCCCCCC(=O)CCC 1458a_100000211992_100000210319 [0,1,0,0,0,0|1,0,0]=2 4668 B14R0.393 CCCCCCCCCCC(=O)CCF 1458a_100000210375_100011217306 [0,1,0,0,0,0|2,0,0]=3 4669 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100000210375_100000211926 [0,1,0,0,0,0|2,0,0]=3 4670 B14R0.393 CCCCCCCCCCC(=O)CCO 1458a_100011216618_100000210319 [0,1,0,0,0,0|2,0,0]=3 4671 B14R0.393 CCCCCCCCCCC(=O)COC 1458a_100000210968_100000210319 [0,1,0,0,0,0|2,0,0]=3 4672 B14R0.393 CCCCCCCCCCC(=O)CSC 1458a_100000184570_100000210319 [0,1,0,0,0,0|2,0,0]=3 4673 B14R0.393 CCCCCCCCCCC(=O)NCC 11a_100015525214_100000210375 [0,1,0,0,0,0|1,0,0]=2 4674 B14R0.393 CCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210375 [0,1,0,0,0,0|1,0,0]=2 4675 B14R0.393 CCCCCCCCCCC(=O)NNC 22a_100016993582_100000210375 [0,1,0,0,0,0|2,0,0]=3 4676 B14R0.393 CCCCCCCCCCC(C)NCC 270004a_100015525214_200011219864 [0,1,0,0,0,0|2,0,1]=4 4677 B14R0.393 CCCCCCCCCCC(C)OCC 34a_100011215000_100000210202 [0,1,0,0,0,0|1,0,1]=3 4678 B14R0.393 CCCCCCCCCCC(C)OCC 7a_100011215000_100000210202 [0,1,0,0,0,0|1,0,1]=3 4679 B14R0.393 CCCCCCCCCCC(C)OCF 34a_100011215000_100015361967 [0,1,0,0,0,0|2,0,1]=4 4680 B14R0.393 CCCCCCCCCCC(C)OCF 7a_100011215000_100015361967 [0,1,0,0,0,0|2,0,1]=4 4681 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000207566_100000210303 [0,1,0,0,0,0|3,0,0]=4 4682 B14R0.393 CCCCCCCCCCN(C)CCC 2230a_100000747261_100000210320 [0,1,0,0,0,0|3,0,0]=4 4683 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000207566_100000210303 [0,1,0,0,0,0|3,0,0]=4 4684 B14R0.393 CCCCCCCCCCN(C)CCC 269982a_100000747261_100000210320 [0,1,0,0,0,0|3,0,0]=4 4685 B14R0.393 CCCCCCCCCNC(=O)C=CBr 1626a_100000212291_100016273825 [0,1,0,0,0,0|2,0,1]=4 4686 B14R0.393 CCCCCCCCCNC(=O)C=CBr 240690a_100000212291_100016273825 [0,1,0,0,0,0|2,0,1]=4 4687 B14R0.393 CCCCCCCCCNC(=O)C=CCl 11a_100000212291_200016279998 [0,1,0,0,0,0|2,0,1]=4 4688 B14R0.393 CCCCCCCCCNC(=O)C=CCl 1626a_100000212291_200016279998 [0,1,0,0,0,0|2,0,1]=4 4689 B14R0.393 CCCCCCCCCNC(=O)C=CCl 240690a_100000212291_200016279998 [0,1,0,0,0,0|2,0,1]=4 4690 B14R0.393 CCCCCCCCCNC(=O)C=CI 1626a_100000212291_100016256311 [0,1,0,0,0,0|2,0,1]=4 4691 B14R0.393 CCCCCCCCCNC(=O)CC#N 1626a_100000212291_100051588842 [0,1,0,0,0,0|2,0,1]=4 4692 B14R0.393 CCCCCCCCCNC(=O)CC#N 240690a_100000212291_100051588842 [0,1,0,0,0,0|2,0,1]=4 4693 B14R0.393 CCCCCCCCCNC(=O)CCC 11a_100000212291_100000211992 [0,1,0,0,0,0|1,0,0]=2 4694 B14R0.393 CCCCCCCCCNC(=O)CCC 1626a_100000212291_100000211992 [0,1,0,0,0,0|1,0,0]=2 4695 B14R0.393 CCCCCCCCCNC(=O)CCC 240690a_100000212291_100000211992 [0,1,0,0,0,0|1,0,0]=2 4696 B14R0.393 CCCCCCCCCNC(=O)CCC 527a_100000212291_100000211992 [0,1,0,0,0,0|1,0,0]=2 4697 B14R0.393 CCCCCCCCCNC(=O)CCO 240690a_100000212291_100011216618 [0,1,0,0,0,0|2,0,0]=3 4698 B14R0.393 CCCCCCCCCNC(=O)COC 11a_100000212291_100000210968 [0,1,0,0,0,0|2,0,0]=3 4699 B14R0.393 CCCCCCCCCNC(=O)COC 1626a_100000212291_100000210968 [0,1,0,0,0,0|2,0,0]=3 4700 B14R0.393 CCCCCCCCCNC(=O)COC 240690a_100000212291_100000210968 [0,1,0,0,0,0|2,0,0]=3 4701 B14R0.393 CCCCCCCCCNC(=O)COC 527a_100000212291_100000210968 [0,1,0,0,0,0|2,0,0]=3 4702 B14R0.393 CCCCCCCCCNC(=O)CSC 11a_100000212291_100000184570 [0,1,0,0,0,0|2,0,0]=3 4703 B14R0.393 CCCCCCCCCNC(=O)CSC 1626a_100000212291_100000184570 [0,1,0,0,0,0|2,0,0]=3 4704 B14R0.393 CCCCCCCCCNC(=O)CSC 240690a_100000212291_100000184570 [0,1,0,0,0,0|2,0,0]=3 4705 B14R0.393 CCCCCCCCCNC(=O)CSC 527a_100000212291_100000184570 [0,1,0,0,0,0|2,0,0]=3 4706 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100000212291_100015525214 [0,1,0,0,0,0|1,0,0]=2 4707 B14R0.393 CCCCCCCCCNC(=O)NCC 2708a_100015525214_100000212291 [0,1,0,0,0,0|1,0,0]=2 4708 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100000212291_100015525214 [0,1,0,0,0,0|1,0,0]=2 4709 B14R0.393 CCCCCCCCCNC(=O)NCC 273464a_100015525214_100000212291 [0,1,0,0,0,0|1,0,0]=2 4710 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100000212291_100015525214 [0,1,0,0,0,0|1,0,0]=2 4711 B14R0.393 CCCCCCCCCNC(=O)NCC 512a_100015525214_100000212291 [0,1,0,0,0,0|1,0,0]=2 4712 B14R0.393 CCCCCCCCCNC(=O)NNC 273464a_100000212291_100016993582 [0,1,0,0,0,0|2,0,0]=3 4713 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100000212291_100016993582 [0,1,0,0,0,0|2,0,0]=3 4714 B14R0.393 CCCCCCCCCNC(=O)NNC 512a_100016993582_100000212291 [0,1,0,0,0,0|2,0,0]=3 4715 B14R0.393 CCCCCCCCCNC(C)CCC 2230a_100000212291_100000766640 [0,1,0,0,0,0|2,0,1]=4 4716 B14R0.393 CCCCCCCCCNC(C)CCC 2230a_100000741246_100011214924 [0,1,0,0,0,0|2,0,1]=4 4717 B14R0.393 CCCCCCCCCNC(C)CCC 270004a_100000212291_100000211909 [0,1,0,0,0,0|2,0,1]=4 4718 B14R0.393 CCCCCCCCCNC(C)CCC 34a_100000212291_100000766640 [0,1,0,0,0,0|2,0,1]=4 4719 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000210712_100000766640 [0,1,0,0,0,0|2,0,1]=4 4720 B14R0.393 CCCCCCCCCOC(C)CCC 34a_100000764384_100011214924 [0,1,0,0,0,0|2,0,1]=4 4721 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000210712_100000766640 [0,1,0,0,0,0|2,0,1]=4 4722 B14R0.393 CCCCCCCCCOC(C)CCC 7a_100000764384_100000210328 [0,1,0,0,0,0|2,0,1]=4 4723 B14R0.393 CCCCCCCCCSC(C)CCC 62a_100000766640_100000210670 [0,1,0,0,0,0|2,0,1]=4 4724 B14R0.393 CCCCCCCCNCC(=O)CCC 2230a_100000229939_100000747444 [0,1,0,0,0,0|1,0,0]=2 4725 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100000229939_100000183381 [0,1,0,0,0,0|1,0,0]=2 4726 B14R0.393 CCCCCCCCNCC(=O)NCC 2230a_100016988866_100000210759 [0,1,0,0,0,0|1,0,0]=2 4727 B14R0.393 CCCCCCCCNCC(=O)NCC 34a_100000229939_100000183381 [0,1,0,0,0,0|1,0,0]=2 4728 B14R0.393 CCCCCCCCNCC(=O)NCO 2230a_100000229939_100000185155 [0,1,0,0,0,0|2,0,0]=3 4729 B14R0.393 CCCCCCCCNCC(=O)NCO 34a_100000229939_100000185155 [0,1,0,0,0,0|2,0,0]=3 4730 B14R0.393 CCCCCCCCNCC(=O)OCC 2230a_100000229939_100000188475 [0,1,0,0,0,0|0,0,0]=1 4731 B14R0.393 CCCCCCCCNCC(=O)OCC 34a_100000229939_100000188475 [0,1,0,0,0,0|0,0,0]=1 4732 B14R0.393 CCCCCCCCNCC(C)CCC 2230a_100000229939_100011216630 [0,1,0,0,0,0|2,0,1]=4 4733 B14R0.393 CCCCCCCCNCC(C)CCC 270004a_100000229939_100000243154 [0,1,0,0,0,0|2,0,1]=4 4734 B14R0.393 CCCCCCCCNCC(C)CCC 34a_100000229939_100011216630 [0,1,0,0,0,0|2,0,1]=4 4735 B14R0.393 CCCCCCCCOCC(=O)CC#N 1458a_100000759886_100011214920 [0,1,0,0,0,0|2,0,1]=4 4736 B14R0.393 CCCCCCCCOCC(=O)CCC 1458a_100000759886_100000210303 [0,1,0,0,0,0|1,0,0]=2 4737 B14R0.393 CCCCCCCCOCC(=O)CCC 7a_100000210232_100000747444 [0,1,0,0,0,0|1,0,0]=2 4738 B14R0.393 CCCCCCCCOCC(=O)CCF 1458a_100000759886_100011217306 [0,1,0,0,0,0|2,0,0]=3 4739 B14R0.393 CCCCCCCCOCC(=O)CCO 1458a_100000759886_100000211926 [0,1,0,0,0,0|2,0,0]=3 4740 B14R0.393 CCCCCCCCOCC(=O)NCC 11a_100015525214_100000759886 [0,1,0,0,0,0|1,0,0]=2 4741 B14R0.393 CCCCCCCCOCC(=O)NCC 240690a_100015525214_100000759886 [0,1,0,0,0,0|1,0,0]=2 4742 B14R0.393 CCCCCCCCOCC(=O)NCC 34a_100000210232_100000183381 [0,1,0,0,0,0|1,0,0]=2 4743 B14R0.393 CCCCCCCCOCC(=O)NCC 527a_100015525214_100000759886 [0,1,0,0,0,0|1,0,0]=2 4744 B14R0.393 CCCCCCCCOCC(=O)NCC 7a_100000210232_100000183381 [0,1,0,0,0,0|1,0,0]=2 4745 B14R0.393 CCCCCCCCOCC(=O)NCO 34a_100000210232_100000185155 [0,1,0,0,0,0|2,0,0]=3 4746 B14R0.393 CCCCCCCCOCC(=O)NCO 7a_100000210232_100000185155 [0,1,0,0,0,0|2,0,0]=3 4747 B14R0.393 CCCCCCCCOCC(=O)NNC 22a_100016993582_100000759886 [0,1,0,0,0,0|2,0,0]=3 4748 B14R0.393 CCCCCCCCOCC(=O)OCC 34a_100000210232_100000188475 [0,1,0,0,0,0|0,0,0]=1 4749 B14R0.393 CCCCCCCCOCC(=O)OCC 7a_100000210232_100000188475 [0,1,0,0,0,0|0,0,0]=1 4750 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000210232_100011216630 [0,1,0,0,0,0|2,0,1]=4 4751 B14R0.393 CCCCCCCCOCC(C)CCC 34a_100000688023_100000210759 [0,1,0,0,0,0|2,0,1]=4 4752 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000210232_100011216630 [0,1,0,0,0,0|2,0,1]=4 4753 B14R0.393 CCCCCCCCOCC(C)CCC 7a_100000688023_100000210759 [0,1,0,0,0,0|2,0,1]=4 4754 B14R0.393 CCCCCCCCOC[C@@H](N)CCC 34a_100000732646_100000210759 [0,1,0,0,0,0|2,0,1]=4 4755 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000210759_100000747444 [0,1,0,0,0,0|1,0,0]=2 4756 B14R0.393 CCCCCCCCSCC(=O)CCC 62a_100000747444_100000210317 [0,1,0,0,0,0|1,0,0]=2 4757 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000183381_100000210317 [0,1,0,0,0,0|1,0,0]=2 4758 B14R0.393 CCCCCCCCSCC(=O)NCC 62a_100000210759_100000183381 [0,1,0,0,0,0|1,0,0]=2 4759 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000185155_100000210317 [0,1,0,0,0,0|2,0,0]=3 4760 B14R0.393 CCCCCCCCSCC(=O)NCO 62a_100000210759_100000185155 [0,1,0,0,0,0|2,0,0]=3 4761 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000188475_100000210317 [0,1,0,0,0,0|0,0,0]=1 4762 B14R0.393 CCCCCCCCSCC(=O)OCC 62a_100000210759_100000188475 [0,1,0,0,0,0|0,0,0]=1 4763 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100000210759_100011216630 [0,1,0,0,0,0|2,0,1]=4 4764 B14R0.393 CCCCCCCCSCC(C)CCC 62a_100011216630_100000210317 [0,1,0,0,0,0|2,0,1]=4 4765 B14R0.393 CCCCCCCNCCC(=O)NCC 2230a_100000229938_100000737597 [0,1,0,0,0,0|1,0,0]=2 4766 B14R0.393 CCCCCCCNCCC(=O)NCC 34a_100025743525_100000210614 [0,1,0,0,0,0|1,0,0]=2 4767 B14R0.393 CCCCCCCNCCC(=O)OCC 2230a_100000229938_100011206558 [0,1,0,0,0,0|0,0,0]=1 4768 B14R0.393 CCCCCCCNCOC(=O)CCC 2230a_100000229938_100000034017 [0,1,0,0,0,0|2,0,0]=3 4769 B14R0.393 CCCCCCCOCCC(=O)NCC 7a_100000210272_100000737597 [0,1,0,0,0,0|1,0,0]=2 4770 B14R0.393 CCCCCCCOCCC(=O)OCC 34a_100000210272_100000765890 [0,1,0,0,0,0|0,0,0]=1 4771 B14R0.393 CCCCCCCOCCC(=O)OCC 7a_100000210272_100011206558 [0,1,0,0,0,0|0,0,0]=1 4772 B14R0.393 CCCCCCCOCCC(C)CCC 34a_100011217855_100000210614 [0,1,0,0,0,0|2,0,1]=4 4773 B14R0.393 CCCCCCCOCCC(C)CCC 7a_100011217855_100000210614 [0,1,0,0,0,0|2,0,1]=4 4774 B14R0.393 CCCCCCCOCC[C@@H](N)CCC 34a_100015193777_100000210614 [0,1,0,0,0,0|2,0,1]=4 4775 B14R0.393 CCCCCCCOCOC(=O)CCC 34a_100000210272_100000034017 [0,1,0,0,0,0|2,0,0]=3 4776 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000210614_100000737597 [0,1,0,0,0,0|1,0,0]=2 4777 B14R0.393 CCCCCCCSCCC(=O)NCC 62a_100000737597_100000210316 [0,1,0,0,0,0|1,0,0]=2 4778 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000210614_100000765890 [0,1,0,0,0,0|0,0,0]=1 4779 B14R0.393 CCCCCCCSCCC(=O)OCC 62a_100000765890_100000210316 [0,1,0,0,0,0|0,0,0]=1 4780 B14R0.393 CCCCCCCSCOC(=O)CCC 62a_100000210614_100000034017 [0,1,0,0,0,0|2,0,0]=3 4781 B14R0.393 CCCCCCCSCOC(=O)OCC 62a_100000210614_100000075025 [0,1,0,0,0,0|1,0,0]=2 4782 B14R0.393 CCCCCCNC/C=C/C(=O)OCC 2230a_100000210581_100016267167 [0,1,0,0,0,0|0,0,2]=3 4783 B14R0.393 CCCCCCNCCCC(=O)OCC 2230a_100000210581_100009991533 [0,1,0,0,0,0|0,0,0]=1 4784 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 34a_100000210259_100016267167 [0,1,0,0,0,0|0,0,2]=3 4785 B14R0.393 CCCCCCOC/C=C/C(=O)OCC 7a_100000210259_100016267167 [0,1,0,0,0,0|0,0,2]=3 4786 B14R0.393 CCCCCCOCCCC(=O)OCC 34a_100000210259_100009991533 [0,1,0,0,0,0|0,0,0]=1 4787 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100000210259_100011215271 [0,1,0,0,0,0|0,0,0]=1 4788 B14R0.393 CCCCCCOCCCC(=O)OCC 7a_100012001163_100000210314 [0,1,0,0,0,0|0,0,0]=1 4789 B14R0.393 CCCCCCOCCCC(C)CCC 34a_100011713154_100000210314 [0,1,0,0,0,0|2,0,1]=4 4790 B14R0.393 CCCCCCOCCCC(C)CCC 7a_100011713154_100000210314 [0,1,0,0,0,0|2,0,1]=4 4791 B14R0.393 CCCCCCOCCNC(=O)OCC 34a_100000158857_100000210314 [0,1,0,0,0,0|1,0,0]=2 4792 B14R0.393 CCCCCCOCCNC(=O)OCC 7a_100000210259_200011445536 [0,1,0,0,0,0|1,0,0]=2 4793 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100000210314_100016267167 [0,1,0,0,0,0|0,0,2]=3 4794 B14R0.393 CCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210757 [0,1,0,0,0,0|0,0,2]=3 4795 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100000210314_100009991533 [0,1,0,0,0,0|0,0,0]=1 4796 B14R0.393 CCCCCCSCCCC(=O)OCC 62a_100009991533_100000210757 [0,1,0,0,0,0|0,0,0]=1 4797 B14R0.393 CCCCCCSCCNC(=O)OCC 62a_100000210314_200011445536 [0,1,0,0,0,0|1,0,0]=2 4798 B14R0.393 CCCCCNCCCCC(=O)OCC 2230a_100000209983_100000750268 [0,1,0,0,0,0|0,0,0]=1 4799 B14R0.393 CCCCCNCCOCC(=O)NCC 34a_100000224656_100000183381 [0,1,0,0,0,0|2,0,0]=3 4800 B14R0.393 CCCCCNCCOCC(=O)NCO 34a_100000224656_100000185155 [0,1,0,0,0,0|3,0,0]=4 4801 B14R0.393 CCCCCNCCOCC(=O)OCC 2230a_100000209983_100000088970 [0,1,0,0,0,0|1,0,0]=2 4802 B14R0.393 CCCCCNCCOCC(=O)OCC 34a_100000224656_100000188475 [0,1,0,0,0,0|1,0,0]=2 4803 B14R0.393 CCCCCOCCCCC(=O)OCC 34a_100000210253_100000750268 [0,1,0,0,0,0|0,0,0]=1 4804 B14R0.393 CCCCCOCCCCC(=O)OCC 7a_100000210253_100000750268 [0,1,0,0,0,0|0,0,0]=1 4805 B14R0.393 CCCCCOCCOCC(=O)CCC 7a_100011215259_100000747444 [0,1,0,0,0,0|2,0,0]=3 4806 B14R0.393 CCCCCOCCOCC(=O)NCC 34a_100011215259_100000183381 [0,1,0,0,0,0|2,0,0]=3 4807 B14R0.393 CCCCCOCCOCC(=O)NCC 7a_100011215259_100000183381 [0,1,0,0,0,0|2,0,0]=3 4808 B14R0.393 CCCCCOCCOCC(=O)NCO 34a_100011215259_100000185155 [0,1,0,0,0,0|3,0,0]=4 4809 B14R0.393 CCCCCOCCOCC(=O)NCO 7a_100011215259_100000185155 [0,1,0,0,0,0|3,0,0]=4 4810 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100000210253_100000088970 [0,1,0,0,0,0|1,0,0]=2 4811 B14R0.393 CCCCCOCCOCC(=O)OCC 34a_100011215259_100000188475 [0,1,0,0,0,0|1,0,0]=2 4812 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100000210253_100000088970 [0,1,0,0,0,0|1,0,0]=2 4813 B14R0.393 CCCCCOCCOCC(=O)OCC 7a_100011215259_100000188475 [0,1,0,0,0,0|1,0,0]=2 4814 B14R0.393 CCCCCOCCSCC(=O)OCC 7a_200000230590_100000210326 [0,1,0,0,0,0|1,0,0]=2 4815 B14R0.393 CCCCCSCC=NNC(=O)OCC 62a_100000210326_100015372823 [0,1,0,0,0,0|2,0,1]=4 4816 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000210326_100000750268 [0,1,0,0,0,0|0,0,0]=1 4817 B14R0.393 CCCCCSCCCCC(=O)OCC 62a_100000750268_100000210326 [0,1,0,0,0,0|0,0,0]=1 4818 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000088970_100000210326 [0,1,0,0,0,0|1,0,0]=2 4819 B14R0.393 CCCCCSCCOCC(=O)OCC 62a_100000210326_100000088970 [0,1,0,0,0,0|1,0,0]=2 4820 B14R0.393 CCCCNCCCCCC(=O)OCC 2230a_100000102301_100000755133 [0,1,0,0,0,0|0,0,0]=1 4821 B14R0.393 CCCCNCCCCCC(=O)OCC 7a_106832991798_100000755133 [0,1,0,0,0,0|0,0,0]=1 4822 B14R0.393 CCCCNCCCOCC(=O)OCC 2230a_100000102301_100009893628 [0,1,0,0,0,0|1,0,0]=2 4823 B14R0.393 CCCCNCCCOCC(=O)OCC 7a_106832991798_100009893628 [0,1,0,0,0,0|1,0,0]=2 4824 B14R0.393 CCCCOCCCCCC(=O)OCC 34a_100000210227_100000755133 [0,1,0,0,0,0|0,0,0]=1 4825 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100000210227_100000755133 [0,1,0,0,0,0|0,0,0]=1 4826 B14R0.393 CCCCOCCCCCC(=O)OCC 7a_100011214988_100000210211 [0,1,0,0,0,0|0,0,0]=1 4827 B14R0.393 CCCCOCCCNCC(=O)CCC 2230a_200000211371_100000747444 [0,1,0,0,0,0|2,0,0]=3 4828 B14R0.393 CCCCOCCCNCC(=O)NCC 2230a_200000211371_100000183381 [0,1,0,0,0,0|2,0,0]=3 4829 B14R0.393 CCCCOCCCNCC(=O)NCC 34a_200000211371_100000183381 [0,1,0,0,0,0|2,0,0]=3 4830 B14R0.393 CCCCOCCCNCC(=O)NCO 2230a_200000211371_100000185155 [0,1,0,0,0,0|3,0,0]=4 4831 B14R0.393 CCCCOCCCNCC(=O)NCO 34a_200000211371_100000185155 [0,1,0,0,0,0|3,0,0]=4 4832 B14R0.393 CCCCOCCCNCC(=O)OCC 2230a_200000211371_100000188475 [0,1,0,0,0,0|1,0,0]=2 4833 B14R0.393 CCCCOCCCNCC(=O)OCC 34a_200000211371_100000188475 [0,1,0,0,0,0|1,0,0]=2 4834 B14R0.393 CCCCOCCCOCC(=O)CCC 7a_200011215613_100000747444 [0,1,0,0,0,0|2,0,0]=3 4835 B14R0.393 CCCCOCCCOCC(=O)NCC 34a_200011215613_100000183381 [0,1,0,0,0,0|2,0,0]=3 4836 B14R0.393 CCCCOCCCOCC(=O)NCC 7a_200011215613_100000183381 [0,1,0,0,0,0|2,0,0]=3 4837 B14R0.393 CCCCOCCCOCC(=O)NCO 34a_200011215613_100000185155 [0,1,0,0,0,0|3,0,0]=4 4838 B14R0.393 CCCCOCCCOCC(=O)NCO 7a_200011215613_100000185155 [0,1,0,0,0,0|3,0,0]=4 4839 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_100000210227_100009893628 [0,1,0,0,0,0|1,0,0]=2 4840 B14R0.393 CCCCOCCCOCC(=O)OCC 34a_200011215613_100000188475 [0,1,0,0,0,0|1,0,0]=2 4841 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_100000210227_100009893628 [0,1,0,0,0,0|1,0,0]=2 4842 B14R0.393 CCCCOCCCOCC(=O)OCC 7a_200011215613_100000188475 [0,1,0,0,0,0|1,0,0]=2 4843 B14R0.393 CCCCOCCNCCC(=O)NCC 34a_100025743525_100000743108 [0,1,0,0,0,0|2,0,0]=3 4844 B14R0.393 CCCCOCCOCCC(=O)NCC 7a_100000210238_100000737597 [0,1,0,0,0,0|2,0,0]=3 4845 B14R0.393 CCCCOCCOCCC(=O)OCC 34a_100000210238_100000765890 [0,1,0,0,0,0|1,0,0]=2 4846 B14R0.393 CCCCOCCOCCC(=O)OCC 7a_100000210238_100011206558 [0,1,0,0,0,0|1,0,0]=2 4847 B14R0.393 CCCCOCCOCOC(=O)CCC 34a_100000210238_100000034017 [0,1,0,0,0,0|3,0,0]=4 4848 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000737597_100000743108 [0,1,0,0,0,0|2,0,0]=3 4849 B14R0.393 CCCCOCCSCCC(=O)NCC 62a_100000743108_100000737597 [0,1,0,0,0,0|2,0,0]=3 4850 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000743108_100000765890 [0,1,0,0,0,0|1,0,0]=2 4851 B14R0.393 CCCCOCCSCCC(=O)OCC 62a_100000765890_100000743108 [0,1,0,0,0,0|1,0,0]=2 4852 B14R0.393 CCCCOCCSCOC(=O)CCC 62a_100000743108_100000034017 [0,1,0,0,0,0|3,0,0]=4 4853 B14R0.393 CCCCOCCSCOC(=O)OCC 62a_100000743108_100000075025 [0,1,0,0,0,0|2,0,0]=3 4854 B14R0.393 CCCCOCOCCNC(=O)OCC 34a_100000158857_100011995733 [0,1,0,0,0,0|2,0,0]=3 4855 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100011995733_100016267167 [0,1,0,0,0,0|1,0,2]=4 4856 B14R0.393 CCCCOCSC/C=C/C(=O)OCC 62a_100016267167_100011995733 [0,1,0,0,0,0|1,0,2]=4 4857 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100009991533_100011995733 [0,1,0,0,0,0|1,0,0]=2 4858 B14R0.393 CCCCOCSCCCC(=O)OCC 62a_100011995733_100009991533 [0,1,0,0,0,0|1,0,0]=2 4859 B14R0.393 CCCCOCSCCNC(=O)OCC 62a_100011995733_200011445536 [0,1,0,0,0,0|2,0,0]=3 4860 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000210211_100000755133 [0,1,0,0,0,0|0,0,0]=1 4861 B14R0.393 CCCCSCCCCCC(=O)OCC 62a_100000755133_100000210210 [0,1,0,0,0,0|0,0,0]=1 4862 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100000210211_100009893628 [0,1,0,0,0,0|1,0,0]=2 4863 B14R0.393 CCCCSCCCOCC(=O)OCC 62a_100009893628_100000210210 [0,1,0,0,0,0|1,0,0]=2 4864 B14R0.393 CCCCSCCNCCC(=O)NCC 2230a_100025743550_100000737597 [0,1,0,0,0,0|2,0,0]=3 4865 B14R0.393 CCCCSCCNCCC(=O)OCC 2230a_100025743550_100011206558 [0,1,0,0,0,0|1,0,0]=2 4866 B14R0.393 CCCCSCCNCOC(=O)CCC 2230a_100025743550_100000034017 [0,1,0,0,0,0|3,0,0]=4 4867 B14R0.393 CCCCSCCOCCC(=O)NCC 7a_200000230436_100000737597 [0,1,0,0,0,0|2,0,0]=3 4868 B14R0.393 CCCCSCCOCCC(=O)OCC 34a_200000230436_100000765890 [0,1,0,0,0,0|1,0,0]=2 4869 B14R0.393 CCCCSCCOCCC(=O)OCC 7a_200000230436_100011206558 [0,1,0,0,0,0|1,0,0]=2 4870 B14R0.393 CCCCSCCOCOC(=O)CCC 34a_200000230436_100000034017 [0,1,0,0,0,0|3,0,0]=4 4871 B14R0.393 CCCN(C)CCCCCCCCCO 2230a_100000747261_100009813782 [0,1,0,0,0,0|3,0,0]=4 4872 B14R0.393 CCCN(C)CCCCCCCCCO 269982a_100000747261_100009813782 [0,1,0,0,0,0|3,0,0]=4 4873 B14R0.393 CCCNN=CCCCCC(=O)OCC 4a_100000740057_100012182868 [0,1,0,0,0,0|1,0,1]=3 4874 B14R0.393 CCCOCCCCCCC(=O)OCC 34a_100000210258_100009814379 [0,1,0,0,0,0|0,0,0]=1 4875 B14R0.393 CCCOCCCNCCC(=O)NCC 2230a_100011217757_100000737597 [0,1,0,0,0,0|2,0,0]=3 4876 B14R0.393 CCCOCCCNCCC(=O)OCC 2230a_100011217757_100011206558 [0,1,0,0,0,0|1,0,0]=2 4877 B14R0.393 CCCOCCCNCCC(=O)OCC 34a_100011217757_100000765890 [0,1,0,0,0,0|1,0,0]=2 4878 B14R0.393 CCCOCCCNCOC(=O)CCC 2230a_100011217757_100000034017 [0,1,0,0,0,0|3,0,0]=4 4879 B14R0.393 CCCOCCCNCOC(=O)CCC 34a_100011217757_100000034017 [0,1,0,0,0,0|3,0,0]=4 4880 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 2230a_100161115042_100016267167 [0,1,0,0,0,0|1,0,2]=4 4881 B14R0.393 CCCOCCNC/C=C/C(=O)OCC 34a_100161115042_100016267167 [0,1,0,0,0,0|1,0,2]=4 4882 B14R0.393 CCCOCCNCCCC(=O)OCC 2230a_100161115042_100009991533 [0,1,0,0,0,0|1,0,0]=2 4883 B14R0.393 CCCOCCNCCCC(=O)OCC 34a_100161115042_100009991533 [0,1,0,0,0,0|1,0,0]=2 4884 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 34a_100000752267_100016267167 [0,1,0,0,0,0|1,0,2]=4 4885 B14R0.393 CCCOCCOC/C=C/C(=O)OCC 7a_100000752267_100016267167 [0,1,0,0,0,0|1,0,2]=4 4886 B14R0.393 CCCOCCOCCCC(=O)OCC 34a_100000752267_100009991533 [0,1,0,0,0,0|1,0,0]=2 4887 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100000752267_100011215271 [0,1,0,0,0,0|1,0,0]=2 4888 B14R0.393 CCCOCCOCCCC(=O)OCC 7a_100012001163_100011215938 [0,1,0,0,0,0|1,0,0]=2 4889 B14R0.393 CCCOCCOCCNC(=O)CCC 11a_200011904461_100000211992 [0,1,0,0,0,0|3,0,0]=4 4890 B14R0.393 CCCOCCOCCNC(=O)CCC 1626a_200011904461_100000211992 [0,1,0,0,0,0|3,0,0]=4 4891 B14R0.393 CCCOCCOCCNC(=O)CCC 240690a_200011904461_100000211992 [0,1,0,0,0,0|3,0,0]=4 4892 B14R0.393 CCCOCCOCCNC(=O)NCC 2708a_100015525214_200011904461 [0,1,0,0,0,0|3,0,0]=4 4893 B14R0.393 CCCOCCOCCNC(=O)NCC 2708a_200011904461_100015525214 [0,1,0,0,0,0|3,0,0]=4 4894 B14R0.393 CCCOCCOCCNC(=O)NCC 273464a_100015525214_200011904461 [0,1,0,0,0,0|3,0,0]=4 4895 B14R0.393 CCCOCCOCCNC(=O)NCC 273464a_200011904461_100015525214 [0,1,0,0,0,0|3,0,0]=4 4896 B14R0.393 CCCOCCOCCNC(=O)NCC 512a_200011904461_100015525214 [0,1,0,0,0,0|3,0,0]=4 4897 B14R0.393 CCCOCCOCCNC(=O)OCC 34a_100000158857_100011215938 [0,1,0,0,0,0|2,0,0]=3 4898 B14R0.393 CCCOCCOCCNC(=O)OCC 7a_100000752267_200011445536 [0,1,0,0,0,0|2,0,0]=3 4899 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100011215938_100016267167 [0,1,0,0,0,0|1,0,2]=4 4900 B14R0.393 CCCOCCSC/C=C/C(=O)OCC 62a_100016267167_100011215938 [0,1,0,0,0,0|1,0,2]=4 4901 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100009991533_100011215938 [0,1,0,0,0,0|1,0,0]=2 4902 B14R0.393 CCCOCCSCCCC(=O)OCC 62a_100011215938_100009991533 [0,1,0,0,0,0|1,0,0]=2 4903 B14R0.393 CCCOCCSCCNC(=O)OCC 62a_100011215938_200011445536 [0,1,0,0,0,0|2,0,0]=3 4904 B14R0.393 CCCSCCCCCCC(=O)OCC 62a_100000210303_100009814379 [0,1,0,0,0,0|0,0,0]=1 4905 B14R0.393 CCCSCCNC/C=C/C(=O)OCC 2230a_100020603323_100016267167 [0,1,0,0,0,0|1,0,2]=4 4906 B14R0.393 CCCSCCNCCCC(=O)OCC 2230a_100020603323_100009991533 [0,1,0,0,0,0|1,0,0]=2 4907 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 34a_200000230433_100016267167 [0,1,0,0,0,0|1,0,2]=4 4908 B14R0.393 CCCSCCOC/C=C/C(=O)OCC 7a_200000230433_100016267167 [0,1,0,0,0,0|1,0,2]=4 4909 B14R0.393 CCCSCCOCCCC(=O)OCC 34a_200000230433_100009991533 [0,1,0,0,0,0|1,0,0]=2 4910 B14R0.393 CCCSCCOCCCC(=O)OCC 7a_200000230433_100011215271 [0,1,0,0,0,0|1,0,0]=2 4911 B14R0.393 CCCSCCOCCNC(=O)OCC 7a_200000230433_200011445536 [0,1,0,0,0,0|2,0,0]=3 4912 B14R0.393 CCNC(=O)C=CCCCCCCCO 240690a_100015525214_100016988705 [0,1,0,0,0,0|1,0,2]=4 4913 B14R0.393 CCNC(=O)CCCCCCCCCF 11a_100015525214_200009909015 [0,1,0,0,0,0|1,0,0]=2 4914 B14R0.393 CCNC(=O)CCCCCCCCCF 240690a_100015525214_200009909015 [0,1,0,0,0,0|1,0,0]=2 4915 B14R0.393 CCNC(=O)CCCCCCCCCF 527a_100015525214_200009909015 [0,1,0,0,0,0|1,0,0]=2 4916 B14R0.393 CCNC(=O)CCCCCCCCCO 240690a_100015525214_100000032657 [0,1,0,0,0,0|1,0,0]=2 4917 B14R0.393 CCNC(=O)CCNCCCCCCF 34a_100025743525_100015922095 [0,1,0,0,0,0|2,0,0]=3 4918 B14R0.393 CCNC(=O)CCNCCCCCCO 2230a_100000686447_100000737597 [0,1,0,0,0,0|2,0,0]=3 4919 B14R0.393 CCNC(=O)CCNCCCCCCO 34a_100025743525_100000766143 [0,1,0,0,0,0|2,0,0]=3 4920 B14R0.393 CCNC(=O)CCNCCCCCOC 2230a_100000747528_100000737597 [0,1,0,0,0,0|2,0,0]=3 4921 B14R0.393 CCNC(=O)CCNCCOCCOC 2230a_100000745349_100000737597 [0,1,0,0,0,0|3,0,0]=4 4922 B14R0.393 CCNC(=O)CCNCCOCCOC 34a_100025743525_100000695917 [0,1,0,0,0,0|3,0,0]=4 4923 B14R0.393 CCNC(=O)CCOCCCCCCBr 7a_100011215345_100000737597 [0,1,0,0,0,0|2,0,0]=3 4924 B14R0.393 CCNC(=O)CCOCCCCCCCl 7a_100000766143_100000737597 [0,1,0,0,0,0|2,0,0]=3 4925 B14R0.393 CCNC(=O)CCOCCCCCCF 7a_100000732779_100000737597 [0,1,0,0,0,0|2,0,0]=3 4926 B14R0.393 CCNC(=O)CCOCCOCCOC 11a_100015525214_100012278103 [0,1,0,0,0,0|3,0,0]=4 4927 B14R0.393 CCNC(=O)CCOCCOCCOC 240690a_100015525214_100012278103 [0,1,0,0,0,0|3,0,0]=4 4928 B14R0.393 CCNC(=O)CCOCCOCCOC 527a_100015525214_100012278103 [0,1,0,0,0,0|3,0,0]=4 4929 B14R0.393 CCNC(=O)CCOCCOCCOC 7a_100011215163_100000737597 [0,1,0,0,0,0|3,0,0]=4 4930 B14R0.393 CCNC(=O)CCSCCCCCC#N 62a_100000737597_100009813376 [0,1,0,0,0,0|2,0,1]=4 4931 B14R0.393 CCNC(=O)CCSCCCCCC#N 62a_100009813376_100000737597 [0,1,0,0,0,0|2,0,1]=4 4932 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000139337_100000737597 [0,1,0,0,0,0|2,0,1]=4 4933 B14R0.393 CCNC(=O)CCSCCCCCC=O 62a_100000737597_100000139337 [0,1,0,0,0,0|2,0,1]=4 4934 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100000737597_100015922095 [0,1,0,0,0,0|2,0,0]=3 4935 B14R0.393 CCNC(=O)CCSCCCCCCF 62a_100015922095_100000737597 [0,1,0,0,0,0|2,0,0]=3 4936 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000737597_100000766143 [0,1,0,0,0,0|2,0,0]=3 4937 B14R0.393 CCNC(=O)CCSCCCCCCO 62a_100000766143_100000737597 [0,1,0,0,0,0|2,0,0]=3 4938 B14R0.393 CCNC(=O)CCSCCOCCOC 62a_100000695917_100000737597 [0,1,0,0,0,0|3,0,0]=4 4939 B14R0.393 CCNC(=O)CCSCCOCCOC 62a_100000737597_100000695917 [0,1,0,0,0,0|3,0,0]=4 4940 B14R0.393 CCNC(=O)CNCCCCCCC#N 2230a_100016988866_100009813337 [0,1,0,0,0,0|2,0,1]=4 4941 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100011996573_100000183381 [0,1,0,0,0,0|2,0,0]=3 4942 B14R0.393 CCNC(=O)CNCCCCCCCO 2230a_100016988866_100000760002 [0,1,0,0,0,0|2,0,0]=3 4943 B14R0.393 CCNC(=O)CNCCCCCCCO 34a_100011996573_100000183381 [0,1,0,0,0,0|2,0,0]=3 4944 B14R0.393 CCNC(=O)CNCCCCCCOC 2230a_100016988866_100011998445 [0,1,0,0,0,0|2,0,0]=3 4945 B14R0.393 CCNC(=O)CNCCCOCCCO 2230a_100011310245_100000183381 [0,1,0,0,0,0|3,0,0]=4 4946 B14R0.393 CCNC(=O)CNCCCOCCCO 34a_100011310245_100000183381 [0,1,0,0,0,0|3,0,0]=4 4947 B14R0.393 CCNC(=O)CNCCCOCCOC 2230a_100000206027_100000183381 [0,1,0,0,0,0|3,0,0]=4 4948 B14R0.393 CCNC(=O)CNCCCOCCOC 2230a_100016988866_100011216529 [0,1,0,0,0,0|3,0,0]=4 4949 B14R0.393 CCNC(=O)CNCCCOCCOC 34a_100000206027_100000183381 [0,1,0,0,0,0|3,0,0]=4 4950 B14R0.393 CCNC(=O)CNCCOCCOCC 2230a_100016988866_100011211534 [0,1,0,0,0,0|3,0,0]=4 4951 B14R0.393 CCNC(=O)CNCCOCCOCC 2230a_100102712874_100000183381 [0,1,0,0,0,0|3,0,0]=4 4952 B14R0.393 CCNC(=O)CNCCOCCOCC 34a_100102712874_100000183381 [0,1,0,0,0,0|3,0,0]=4 4953 B14R0.393 CCNC(=O)COCCCCCCCBr 34a_100000760002_100000183381 [0,1,0,0,0,0|2,0,0]=3 4954 B14R0.393 CCNC(=O)COCCCCCCCBr 7a_100000760002_100000183381 [0,1,0,0,0,0|2,0,0]=3 4955 B14R0.393 CCNC(=O)COCCCCCCCN 34a_100011996573_100000183381 [0,1,0,0,0,0|2,0,0]=3 4956 B14R0.393 CCNC(=O)COCCCCCCOC 34a_200012092642_100000183381 [0,1,0,0,0,0|2,0,0]=3 4957 B14R0.393 CCNC(=O)COCCCCCCOC 7a_200012092642_100000183381 [0,1,0,0,0,0|2,0,0]=3 4958 B14R0.393 CCNC(=O)COCCCOCCCN 34a_100011310245_100000183381 [0,1,0,0,0,0|3,0,0]=4 4959 B14R0.393 CCNC(=O)COCCOCCOCC 34a_100000210240_100000183381 [0,1,0,0,0,0|3,0,0]=4 4960 B14R0.393 CCNC(=O)COCCOCCOCC 7a_100000210240_100000183381 [0,1,0,0,0,0|3,0,0]=4 4961 B14R0.393 CCNC(=O)CSCCCCCCC#N 62a_100000183381_100009813337 [0,1,0,0,0,0|2,0,1]=4 4962 B14R0.393 CCNC(=O)CSCCCCCCC#N 62a_100009813337_100000183381 [0,1,0,0,0,0|2,0,1]=4 4963 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000183381_100000760002 [0,1,0,0,0,0|2,0,0]=3 4964 B14R0.393 CCNC(=O)CSCCCCCCCO 62a_100000760002_100000183381 [0,1,0,0,0,0|2,0,0]=3 4965 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100000183381_100011998445 [0,1,0,0,0,0|2,0,0]=3 4966 B14R0.393 CCNC(=O)CSCCCCCCOC 62a_100011998445_100000183381 [0,1,0,0,0,0|2,0,0]=3 4967 B14R0.393 CCNC(=O)CSCCCOCCOC 62a_100000183381_100011216529 [0,1,0,0,0,0|3,0,0]=4 4968 B14R0.393 CCNC(=O)CSCCCOCCOC 62a_100011216529_100000183381 [0,1,0,0,0,0|3,0,0]=4 4969 B14R0.393 CCNC(=O)CSCCOCCOCC 62a_100000183381_100011211534 [0,1,0,0,0,0|3,0,0]=4 4970 B14R0.393 CCNC(=O)CSCCOCCOCC 62a_100011211534_100000183381 [0,1,0,0,0,0|3,0,0]=4 4971 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_100015525214_102515433106 [0,1,0,0,0,0|2,0,0]=3 4972 B14R0.393 CCNC(=O)NCCCCCCCCO 2708a_102515433106_100015525214 [0,1,0,0,0,0|2,0,0]=3 4973 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_100015525214_102515433106 [0,1,0,0,0,0|2,0,0]=3 4974 B14R0.393 CCNC(=O)NCCCCCCCCO 273464a_102515433106_100015525214 [0,1,0,0,0,0|2,0,0]=3 4975 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_100015525214_102515433106 [0,1,0,0,0,0|2,0,0]=3 4976 B14R0.393 CCNC(=O)NCCCCCCCCO 512a_102515433106_100015525214 [0,1,0,0,0,0|2,0,0]=3 4977 B14R0.393 CCNCCCCCCCC(=O)OCC 2230a_100015525214_100009991516 [0,1,0,0,0,0|0,0,0]=1 4978 B14R0.393 CCNN=CCCCCCC(=O)OCC 4a_100000756455_100000085164 [0,1,0,0,0,0|1,0,1]=3 4979 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 2230a_100000762737_100016267167 [0,1,0,0,0,0|1,0,2]=4 4980 B14R0.393 CCOC(=O)/C=C/CNCCCCCO 34a_100000762737_100016267167 [0,1,0,0,0,0|1,0,2]=4 4981 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 34a_100000746331_100016267167 [0,1,0,0,0,0|1,0,2]=4 4982 B14R0.393 CCOC(=O)/C=C/COCCCCCBr 7a_100000746331_100016267167 [0,1,0,0,0,0|1,0,2]=4 4983 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 34a_100000746330_100016267167 [0,1,0,0,0,0|1,0,2]=4 4984 B14R0.393 CCOC(=O)/C=C/COCCCCCCl 7a_100000746330_100016267167 [0,1,0,0,0,0|1,0,2]=4 4985 B14R0.393 CCOC(=O)/C=C/COCCCCCI 34a_200012148887_100016267167 [0,1,0,0,0,0|1,0,2]=4 4986 B14R0.393 CCOC(=O)/C=C/COCCCCCI 7a_200012148887_100016267167 [0,1,0,0,0,0|1,0,2]=4 4987 B14R0.393 CCOC(=O)/C=C/COCCCCCN 34a_100000762737_100016267167 [0,1,0,0,0,0|1,0,2]=4 4988 B14R0.393 CCOC(=O)/C=C/COCCCCOC 34a_100000740925_100016267167 [0,1,0,0,0,0|1,0,2]=4 4989 B14R0.393 CCOC(=O)/C=C/COCCCCSC 34a_100011217163_100016267167 [0,1,0,0,0,0|1,0,2]=4 4990 B14R0.393 CCOC(=O)/C=C/COCCCCSC 7a_100011217163_100016267167 [0,1,0,0,0,0|1,0,2]=4 4991 B14R0.393 CCOC(=O)/C=C/COCCCSCC 34a_100011216438_100016267167 [0,1,0,0,0,0|1,0,2]=4 4992 B14R0.393 CCOC(=O)/C=C/COCCCSCC 7a_100011216438_100016267167 [0,1,0,0,0,0|1,0,2]=4 4993 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100000729378_100016267167 [0,1,0,0,0,0|1,0,2]=4 4994 B14R0.393 CCOC(=O)/C=C/CSCCCCCF 62a_100016267167_100000729378 [0,1,0,0,0,0|1,0,2]=4 4995 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100000746330_100016267167 [0,1,0,0,0,0|1,0,2]=4 4996 B14R0.393 CCOC(=O)/C=C/CSCCCCCO 62a_100016267167_100000746330 [0,1,0,0,0,0|1,0,2]=4 4997 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100000730899_100016267167 [0,1,0,0,0,0|1,0,2]=4 4998 B14R0.393 CCOC(=O)/C=C/CSCCCCOC 62a_100016267167_100000730899 [0,1,0,0,0,0|1,0,2]=4 4999 B14R0.393 CCOC(=O)CCCCC=NNCCO 4a_100000210001_100012182868 [0,1,0,0,0,0|2,0,1]=4 5000 B14R0.393 CCOC(=O)CCCCCCCCNC 2230a_106832991635_100010175975 [0,1,0,0,0,0|0,0,0]=1 5001 B14R0.393 CCOC(=O)CCCCCCCCNC 34a_100102657272_100010175975 [0,1,0,0,0,0|0,0,0]=1 5002 B14R0.393 CCOC(=O)CCCCCCCCNC 7a_106832991635_100010175975 [0,1,0,0,0,0|0,0,0]=1 5003 B14R0.393 CCOC(=O)CCCCCCCCOC 34a_100138415774_100010175975 [0,1,0,0,0,0|0,0,0]=1 5004 B14R0.393 CCOC(=O)CCCCCCCCSC 62a_200000210301_100010175975 [0,1,0,0,0,0|0,0,0]=1 5005 B14R0.393 CCOC(=O)CCCCCCCCS[13CH3] 62a_200025704644_100010175975 [0,1,0,0,0,0|0,0,0]=1 5006 B14R0.393 CCOC(=O)CCCCCCCSCC 62a_100000210202_100009991516 [0,1,0,0,0,0|0,0,0]=1 5007 B14R0.393 CCOC(=O)CCCCCCCSCF 62a_100015361967_100009991516 [0,1,0,0,0,0|1,0,0]=2 5008 B14R0.393 CCOC(=O)CCCCCCNCCF 34a_100000724931_100009814379 [0,1,0,0,0,0|1,0,0]=2 5009 B14R0.393 CCOC(=O)CCCCCCNCCO 2230a_100016997473_100009814379 [0,1,0,0,0,0|1,0,0]=2 5010 B14R0.393 CCOC(=O)CCCCCCNCCO 34a_100016990907_100009814379 [0,1,0,0,0,0|1,0,0]=2 5011 B14R0.393 CCOC(=O)CCCCCCOCCBr 34a_100000211926_100009814379 [0,1,0,0,0,0|1,0,0]=2 5012 B14R0.393 CCOC(=O)CCCCCCOCCN 34a_100000210304_100009814379 [0,1,0,0,0,0|1,0,0]=2 5013 B14R0.393 CCOC(=O)CCCCCCSCC#N 62a_100011215382_100009814379 [0,1,0,0,0,0|1,0,1]=3 5014 B14R0.393 CCOC(=O)CCCCCCSCC=O 62a_200015260668_100009814379 [0,1,0,0,0,0|1,0,1]=3 5015 B14R0.393 CCOC(=O)CCCCCCSCCF 62a_100011217306_100009814379 [0,1,0,0,0,0|1,0,0]=2 5016 B14R0.393 CCOC(=O)CCCCCCSCCO 62a_100000211926_100009814379 [0,1,0,0,0,0|1,0,0]=2 5017 B14R0.393 CCOC(=O)CCCCCCSCOC 62a_100000766300_100009814379 [0,1,0,0,0,0|1,0,0]=2 5018 B14R0.393 CCOC(=O)CCCCCCSCSC 62a_100011218213_100009814379 [0,1,0,0,0,0|1,0,0]=2 5019 B14R0.393 CCOC(=O)CCCCCNCCCF 2230a_100015189416_100000755133 [0,1,0,0,0,0|1,0,0]=2 5020 B14R0.393 CCOC(=O)CCCCCNCCCF 34a_100015189416_100000755133 [0,1,0,0,0,0|1,0,0]=2 5021 B14R0.393 CCOC(=O)CCCCCNCCOC 2230a_100000209980_100000755133 [0,1,0,0,0,0|1,0,0]=2 5022 B14R0.393 CCOC(=O)CCCCCNCCSC 2230a_100020590264_100000755133 [0,1,0,0,0,0|1,0,0]=2 5023 B14R0.393 CCOC(=O)CCCCCOCCC#N 7a_100011214988_100000184422 [0,1,0,0,0,0|1,0,1]=3 5024 B14R0.393 CCOC(=O)CCCCCOCCCBr 34a_100011217188_100000755133 [0,1,0,0,0,0|1,0,0]=2 5025 B14R0.393 CCOC(=O)CCCCCOCCCCl 34a_100000230001_100000755133 [0,1,0,0,0,0|1,0,0]=2 5026 B14R0.393 CCOC(=O)CCCCCOCCCF 34a_100000759539_100000755133 [0,1,0,0,0,0|1,0,0]=2 5027 B14R0.393 CCOC(=O)CCCCCOCCCF 7a_100011214988_100011934791 [0,1,0,0,0,0|1,0,0]=2 5028 B14R0.393 CCOC(=O)CCCCCOCCCN 34a_100000182051_100000755133 [0,1,0,0,0,0|1,0,0]=2 5029 B14R0.393 CCOC(=O)CCCCCOCCCO 7a_100011214988_100011215043 [0,1,0,0,0,0|1,0,0]=2 5030 B14R0.393 CCOC(=O)CCCCCOCCOC 34a_100000210237_100000755133 [0,1,0,0,0,0|1,0,0]=2 5031 B14R0.393 CCOC(=O)CCCCCOCCOC 7a_100011214988_100000233755 [0,1,0,0,0,0|1,0,0]=2 5032 B14R0.393 CCOC(=O)CCCCCOCCON 34a_100000700252_100000755133 [0,1,0,0,0,0|2,0,0]=3 5033 B14R0.393 CCOC(=O)CCCCCOCCSC 34a_100000230434_100000755133 [0,1,0,0,0,0|1,0,0]=2 5034 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100000230434_100000755133 [0,1,0,0,0,0|1,0,0]=2 5035 B14R0.393 CCOC(=O)CCCCCOCCSC 7a_100011214988_100000212216 [0,1,0,0,0,0|1,0,0]=2 5036 B14R0.393 CCOC(=O)CCCCCSCCC#N 62a_100000755133_100011215226 [0,1,0,0,0,0|1,0,1]=3 5037 B14R0.393 CCOC(=O)CCCCCSCCC#N 62a_100011215226_100000755133 [0,1,0,0,0,0|1,0,1]=3 5038 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100000755133_100011934791 [0,1,0,0,0,0|1,0,0]=2 5039 B14R0.393 CCOC(=O)CCCCCSCCCF 62a_100011934791_100000755133 [0,1,0,0,0,0|1,0,0]=2 5040 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100000755133_100011215043 [0,1,0,0,0,0|1,0,0]=2 5041 B14R0.393 CCOC(=O)CCCCCSCCCO 62a_100011215043_100000755133 [0,1,0,0,0,0|1,0,0]=2 5042 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000233755_100000755133 [0,1,0,0,0,0|1,0,0]=2 5043 B14R0.393 CCOC(=O)CCCCCSCCOC 62a_100000755133_100000233755 [0,1,0,0,0,0|1,0,0]=2 5044 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000212216_100000755133 [0,1,0,0,0,0|1,0,0]=2 5045 B14R0.393 CCOC(=O)CCCCCSCCSC 62a_100000755133_100000751147 [0,1,0,0,0,0|1,0,0]=2 5046 B14R0.393 CCOC(=O)CCCCCSCSC#N 62a_100000211825_100000755133 [0,1,0,0,0,0|2,0,1]=4 5047 B14R0.393 CCOC(=O)CCCCCSCSC#N 62a_100000755133_100000211825 [0,1,0,0,0,0|2,0,1]=4 5048 B14R0.393 CCOC(=O)CCCCNCCCCO 2230a_100000750430_100000750268 [0,1,0,0,0,0|1,0,0]=2 5049 B14R0.393 CCOC(=O)CCCCNCCCCO 34a_100000750430_100000750268 [0,1,0,0,0,0|1,0,0]=2 5050 B14R0.393 CCOC(=O)CCCCNCCCOC 34a_100150723488_100000750268 [0,1,0,0,0,0|1,0,0]=2 5051 B14R0.393 CCOC(=O)CCCCNCCCSC 2230a_100000749238_100000750268 [0,1,0,0,0,0|1,0,0]=2 5052 B14R0.393 CCOC(=O)CCCCNCCSCC 2230a_100000106463_100000750268 [0,1,0,0,0,0|1,0,0]=2 5053 B14R0.393 CCOC(=O)CCCCOCC#CCCl 34a_200000047223_100000750268 [0,1,0,0,0,0|1,0,2]=4 5054 B14R0.393 CCOC(=O)CCCCOCCCCBr 34a_100011216708_100000750268 [0,1,0,0,0,0|1,0,0]=2 5055 B14R0.393 CCOC(=O)CCCCOCCCCCl 34a_100000210776_100000750268 [0,1,0,0,0,0|1,0,0]=2 5056 B14R0.393 CCOC(=O)CCCCOCCCCCl 7a_100000210776_100000750268 [0,1,0,0,0,0|1,0,0]=2 5057 B14R0.393 CCOC(=O)CCCCOCCCCF 34a_100011995726_100000750268 [0,1,0,0,0,0|1,0,0]=2 5058 B14R0.393 CCOC(=O)CCCCOCCCCF 7a_100011995726_100000750268 [0,1,0,0,0,0|1,0,0]=2 5059 B14R0.393 CCOC(=O)CCCCOCCCCI 34a_200012148704_100000750268 [0,1,0,0,0,0|1,0,0]=2 5060 B14R0.393 CCOC(=O)CCCCOCCCCN 34a_100000750430_100000750268 [0,1,0,0,0,0|1,0,0]=2 5061 B14R0.393 CCOC(=O)CCCCOCCCNC 34a_100000213112_100000750268 [0,1,0,0,0,0|1,0,0]=2 5062 B14R0.393 CCOC(=O)CCCCOCCCOC 34a_100000740835_100000750268 [0,1,0,0,0,0|1,0,0]=2 5063 B14R0.393 CCOC(=O)CCCCOCCCSC 34a_100000690336_100000750268 [0,1,0,0,0,0|1,0,0]=2 5064 B14R0.393 CCOC(=O)CCCCOCCCSC 7a_100000690336_100000750268 [0,1,0,0,0,0|1,0,0]=2 5065 B14R0.393 CCOC(=O)CCCCOCCSCC 34a_100000212035_100000750268 [0,1,0,0,0,0|1,0,0]=2 5066 B14R0.393 CCOC(=O)CCCCOCCSCC 7a_100000212035_100000750268 [0,1,0,0,0,0|1,0,0]=2 5067 B14R0.393 CCOC(=O)CCCCSCC#CCO 62a_100000750268_200000047223 [0,1,0,0,0,0|1,0,2]=4 5068 B14R0.393 CCOC(=O)CCCCSCC#CCO 62a_200000047223_100000750268 [0,1,0,0,0,0|1,0,2]=4 5069 B14R0.393 CCOC(=O)CCCCSCCCC#N 62a_100000687738_100000750268 [0,1,0,0,0,0|1,0,1]=3 5070 B14R0.393 CCOC(=O)CCCCSCCCC#N 62a_100000750268_100000687738 [0,1,0,0,0,0|1,0,1]=3 5071 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_100000750268_200011292268 [0,1,0,0,0,0|1,0,1]=3 5072 B14R0.393 CCOC(=O)CCCCSCCCC=O 62a_200011292268_100000750268 [0,1,0,0,0,0|1,0,1]=3 5073 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000729493_100000750268 [0,1,0,0,0,0|1,0,0]=2 5074 B14R0.393 CCOC(=O)CCCCSCCCCF 62a_100000750268_100000729493 [0,1,0,0,0,0|1,0,0]=2 5075 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000210776_100000750268 [0,1,0,0,0,0|1,0,0]=2 5076 B14R0.393 CCOC(=O)CCCCSCCCCO 62a_100000750268_100000210776 [0,1,0,0,0,0|1,0,0]=2 5077 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000709357_100000750268 [0,1,0,0,0,0|1,0,0]=2 5078 B14R0.393 CCOC(=O)CCCCSCCCOC 62a_100000750268_100000709357 [0,1,0,0,0,0|1,0,0]=2 5079 B14R0.393 CCOC(=O)CCCCSCCSC#N 62a_100000034367_100000750268 [0,1,0,0,0,0|2,0,1]=4 5080 B14R0.393 CCOC(=O)CCCCSCCSC#N 62a_100000750268_100000034367 [0,1,0,0,0,0|2,0,1]=4 5081 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000750268_100000757381 [0,1,0,0,0,0|1,0,0]=2 5082 B14R0.393 CCOC(=O)CCCCSCCSCC 62a_100000757381_100000750268 [0,1,0,0,0,0|1,0,0]=2 5083 B14R0.393 CCOC(=O)CCCNCCCCCO 2230a_100000762737_100009991533 [0,1,0,0,0,0|1,0,0]=2 5084 B14R0.393 CCOC(=O)CCCNCCCCCO 34a_100000762737_100009991533 [0,1,0,0,0,0|1,0,0]=2 5085 B14R0.393 CCOC(=O)CCCNCCCN=[N+]=[N-] 2230a_100000744732_100009991533 [0,1,0,0,0,0|3,0,0]=4 5086 B14R0.393 CCOC(=O)CCCNCCOCCO 2230a_100000211614_100009991533 [0,1,0,0,0,0|2,0,0]=3 5087 B14R0.393 CCOC(=O)CCCNCCOCCO 34a_100000211614_100009991533 [0,1,0,0,0,0|2,0,0]=3 5088 B14R0.393 CCOC(=O)CCCNCCSCCO 2230a_100011219999_100009991533 [0,1,0,0,0,0|2,0,0]=3 5089 B14R0.393 CCOC(=O)CCCOCCCCC#N 7a_100012001163_100000211819 [0,1,0,0,0,0|1,0,1]=3 5090 B14R0.393 CCOC(=O)CCCOCCCCC=O 7a_100012001163_100000139335 [0,1,0,0,0,0|1,0,1]=3 5091 B14R0.393 CCOC(=O)CCCOCCCCCBr 34a_100000746331_100009991533 [0,1,0,0,0,0|1,0,0]=2 5092 B14R0.393 CCOC(=O)CCCOCCCCCBr 7a_100000746331_100011215271 [0,1,0,0,0,0|1,0,0]=2 5093 B14R0.393 CCOC(=O)CCCOCCCCCCl 34a_100000746330_100009991533 [0,1,0,0,0,0|1,0,0]=2 5094 B14R0.393 CCOC(=O)CCCOCCCCCCl 7a_100000746330_100011215271 [0,1,0,0,0,0|1,0,0]=2 5095 B14R0.393 CCOC(=O)CCCOCCCCCF 7a_100012001163_100000729378 [0,1,0,0,0,0|1,0,0]=2 5096 B14R0.393 CCOC(=O)CCCOCCCCCI 34a_200012148887_100009991533 [0,1,0,0,0,0|1,0,0]=2 5097 B14R0.393 CCOC(=O)CCCOCCCCCI 7a_200012148887_100011215271 [0,1,0,0,0,0|1,0,0]=2 5098 B14R0.393 CCOC(=O)CCCOCCCCCN 34a_100000762737_100009991533 [0,1,0,0,0,0|1,0,0]=2 5099 B14R0.393 CCOC(=O)CCCOCCCCCO 7a_100012001163_100000746330 [0,1,0,0,0,0|1,0,0]=2 5100 B14R0.393 CCOC(=O)CCCOCCCCOC 34a_100000740925_100009991533 [0,1,0,0,0,0|1,0,0]=2 5101 B14R0.393 CCOC(=O)CCCOCCCCOC 7a_100012001163_100000730899 [0,1,0,0,0,0|1,0,0]=2 5102 B14R0.393 CCOC(=O)CCCOCCCCSC 34a_100011217163_100009991533 [0,1,0,0,0,0|1,0,0]=2 5103 B14R0.393 CCOC(=O)CCCOCCCCSC 7a_100011217163_100011215271 [0,1,0,0,0,0|1,0,0]=2 5104 B14R0.393 CCOC(=O)CCCOCCCSCC 34a_100011216438_100009991533 [0,1,0,0,0,0|1,0,0]=2 5105 B14R0.393 CCOC(=O)CCCOCCCSCC 7a_100011216438_100011215271 [0,1,0,0,0,0|1,0,0]=2 5106 B14R0.393 CCOC(=O)CCCOCCOCC#N 7a_100012001163_200000047693 [0,1,0,0,0,0|2,0,1]=4 5107 B14R0.393 CCOC(=O)CCCOCCOCCBr 34a_100000692535_100009991533 [0,1,0,0,0,0|2,0,0]=3 5108 B14R0.393 CCOC(=O)CCCOCCOCCBr 7a_100000692535_100011215271 [0,1,0,0,0,0|2,0,0]=3 5109 B14R0.393 CCOC(=O)CCCOCCOCCCl 34a_100011215305_100009991533 [0,1,0,0,0,0|2,0,0]=3 5110 B14R0.393 CCOC(=O)CCCOCCOCCCl 7a_100011215305_100011215271 [0,1,0,0,0,0|2,0,0]=3 5111 B14R0.393 CCOC(=O)CCCOCCOCCF 34a_200015357709_100009991533 [0,1,0,0,0,0|2,0,0]=3 5112 B14R0.393 CCOC(=O)CCCOCCOCCF 7a_200015357709_100011215271 [0,1,0,0,0,0|2,0,0]=3 5113 B14R0.393 CCOC(=O)CCCOCCOCCI 34a_100012149058_100009991533 [0,1,0,0,0,0|2,0,0]=3 5114 B14R0.393 CCOC(=O)CCCOCCOCCI 7a_100012149058_100011215271 [0,1,0,0,0,0|2,0,0]=3 5115 B14R0.393 CCOC(=O)CCCOCCOCCN 34a_100000211614_100009991533 [0,1,0,0,0,0|2,0,0]=3 5116 B14R0.393 CCOC(=O)CCCOCCOCCO 7a_100012001163_100011215305 [0,1,0,0,0,0|2,0,0]=3 5117 B14R0.393 CCOC(=O)CCCSCCCCC#N 62a_100009991533_100000211819 [0,1,0,0,0,0|1,0,1]=3 5118 B14R0.393 CCOC(=O)CCCSCCCCC#N 62a_100011219923_100009991533 [0,1,0,0,0,0|1,0,1]=3 5119 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100000139335_100009991533 [0,1,0,0,0,0|1,0,1]=3 5120 B14R0.393 CCOC(=O)CCCSCCCCC=O 62a_100009991533_100000139335 [0,1,0,0,0,0|1,0,1]=3 5121 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100000729378_100009991533 [0,1,0,0,0,0|1,0,0]=2 5122 B14R0.393 CCOC(=O)CCCSCCCCCF 62a_100009991533_100000729378 [0,1,0,0,0,0|1,0,0]=2 5123 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100000746330_100009991533 [0,1,0,0,0,0|1,0,0]=2 5124 B14R0.393 CCOC(=O)CCCSCCCCCO 62a_100009991533_100000746330 [0,1,0,0,0,0|1,0,0]=2 5125 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100000730899_100009991533 [0,1,0,0,0,0|1,0,0]=2 5126 B14R0.393 CCOC(=O)CCCSCCCCOC 62a_100009991533_100000730899 [0,1,0,0,0,0|1,0,0]=2 5127 B14R0.393 CCOC(=O)CCCSCCOCC#N 62a_100009991533_200000047693 [0,1,0,0,0,0|2,0,1]=4 5128 B14R0.393 CCOC(=O)CCCSCCOCC#N 62a_200000047693_100009991533 [0,1,0,0,0,0|2,0,1]=4 5129 B14R0.393 CCOC(=O)CCCSCCOCCO 62a_100009991533_100011215305 [0,1,0,0,0,0|2,0,0]=3 5130 B14R0.393 CCOC(=O)CCCSCCOCCO 62a_100011215305_100009991533 [0,1,0,0,0,0|2,0,0]=3 5131 B14R0.393 CCOC(=O)CCCSCOCCOC 62a_100000231047_100009991533 [0,1,0,0,0,0|2,0,0]=3 5132 B14R0.393 CCOC(=O)CCCSCOCCOC 62a_100009991533_100000231047 [0,1,0,0,0,0|2,0,0]=3 5133 B14R0.393 CCOC(=O)CCNCCCCCCO 2230a_100000686447_100011206558 [0,1,0,0,0,0|1,0,0]=2 5134 B14R0.393 CCOC(=O)CCNCCCCCCO 34a_100000686447_100000765890 [0,1,0,0,0,0|1,0,0]=2 5135 B14R0.393 CCOC(=O)CCNCCCCCOC 2230a_100000747528_100011206558 [0,1,0,0,0,0|1,0,0]=2 5136 B14R0.393 CCOC(=O)CCNCCCCCOC 34a_100000747528_100000765890 [0,1,0,0,0,0|1,0,0]=2 5137 B14R0.393 CCOC(=O)CCNCCCCN=[N+]=[N-] 2230a_100000101370_100011206558 [0,1,0,0,0,0|3,0,0]=4 5138 B14R0.393 CCOC(=O)CCNCCOCCOC 2230a_100000745349_100011206558 [0,1,0,0,0,0|2,0,0]=3 5139 B14R0.393 CCOC(=O)CCNCCOCCOC 34a_100000745349_100000765890 [0,1,0,0,0,0|2,0,0]=3 5140 B14R0.393 CCOC(=O)CCOCCCCCCBr 34a_100011215345_100000765890 [0,1,0,0,0,0|1,0,0]=2 5141 B14R0.393 CCOC(=O)CCOCCCCCCBr 7a_100011215345_100011206558 [0,1,0,0,0,0|1,0,0]=2 5142 B14R0.393 CCOC(=O)CCOCCCCCCCl 34a_100000766143_100000765890 [0,1,0,0,0,0|1,0,0]=2 5143 B14R0.393 CCOC(=O)CCOCCCCCCCl 7a_100000766143_100011206558 [0,1,0,0,0,0|1,0,0]=2 5144 B14R0.393 CCOC(=O)CCOCCCCCCF 34a_100000732779_100000765890 [0,1,0,0,0,0|1,0,0]=2 5145 B14R0.393 CCOC(=O)CCOCCCCCCF 7a_100000732779_100011206558 [0,1,0,0,0,0|1,0,0]=2 5146 B14R0.393 CCOC(=O)CCOCCCCCCN 34a_100000686447_100000765890 [0,1,0,0,0,0|1,0,0]=2 5147 B14R0.393 CCOC(=O)CCOCCCCCNC 34a_100000722520_100000765890 [0,1,0,0,0,0|1,0,0]=2 5148 B14R0.393 CCOC(=O)CCOCCOCCNC 34a_100000228057_100000765890 [0,1,0,0,0,0|2,0,0]=3 5149 B14R0.393 CCOC(=O)CCOCCOCCOC 34a_100010737887_200000210301 [0,1,0,0,0,0|2,0,0]=3 5150 B14R0.393 CCOC(=O)CCOCCOCCOC 34a_100011215163_100000765890 [0,1,0,0,0,0|2,0,0]=3 5151 B14R0.393 CCOC(=O)CCOCCOCCOC 7a_100010737887_200000210301 [0,1,0,0,0,0|2,0,0]=3 5152 B14R0.393 CCOC(=O)CCOCCOCCOC 7a_100011215163_100011206558 [0,1,0,0,0,0|2,0,0]=3 5153 B14R0.393 CCOC(=O)CCOCCOCCO[13CH3] 34a_100010737887_200025704644 [0,1,0,0,0,0|2,0,0]=3 5154 B14R0.393 CCOC(=O)CCOCCOCCO[13CH3] 7a_100010737887_200025704644 [0,1,0,0,0,0|2,0,0]=3 5155 B14R0.393 CCOC(=O)CCSCCCCCC#N 62a_100000765890_100009813376 [0,1,0,0,0,0|1,0,1]=3 5156 B14R0.393 CCOC(=O)CCSCCCCCC#N 62a_100009813376_100000765890 [0,1,0,0,0,0|1,0,1]=3 5157 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000139337_100000765890 [0,1,0,0,0,0|1,0,1]=3 5158 B14R0.393 CCOC(=O)CCSCCCCCC=O 62a_100000765890_100000139337 [0,1,0,0,0,0|1,0,1]=3 5159 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100000765890_100015922095 [0,1,0,0,0,0|1,0,0]=2 5160 B14R0.393 CCOC(=O)CCSCCCCCCF 62a_100015922095_100000765890 [0,1,0,0,0,0|1,0,0]=2 5161 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000765890_100000766143 [0,1,0,0,0,0|1,0,0]=2 5162 B14R0.393 CCOC(=O)CCSCCCCCCO 62a_100000766143_100000765890 [0,1,0,0,0,0|1,0,0]=2 5163 B14R0.393 CCOC(=O)CCSCCOCCOC 62a_100000695917_100000765890 [0,1,0,0,0,0|2,0,0]=3 5164 B14R0.393 CCOC(=O)CCSCCOCCOC 62a_100000765890_100000695917 [0,1,0,0,0,0|2,0,0]=3 5165 B14R0.393 CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000188475 [0,1,0,0,0,0|1,0,0]=2 5166 B14R0.393 CCOC(=O)CNCCCCCCCO 34a_100011996573_100000188475 [0,1,0,0,0,0|1,0,0]=2 5167 B14R0.393 CCOC(=O)CNCCCOCCCO 2230a_100011310245_100000188475 [0,1,0,0,0,0|2,0,0]=3 5168 B14R0.393 CCOC(=O)CNCCCOCCCO 34a_100011310245_100000188475 [0,1,0,0,0,0|2,0,0]=3 5169 B14R0.393 CCOC(=O)CNCCCOCCOC 2230a_100000206027_100000188475 [0,1,0,0,0,0|2,0,0]=3 5170 B14R0.393 CCOC(=O)CNCCCOCCOC 34a_100000206027_100000188475 [0,1,0,0,0,0|2,0,0]=3 5171 B14R0.393 CCOC(=O)COCCCCCCCBr 34a_100000760002_100000188475 [0,1,0,0,0,0|1,0,0]=2 5172 B14R0.393 CCOC(=O)COCCCCCCCBr 7a_100000760002_100000188475 [0,1,0,0,0,0|1,0,0]=2 5173 B14R0.393 CCOC(=O)COCCCCCCCN 34a_100011996573_100000188475 [0,1,0,0,0,0|1,0,0]=2 5174 B14R0.393 CCOC(=O)COCCCCCCOC 34a_200012092642_100000188475 [0,1,0,0,0,0|1,0,0]=2 5175 B14R0.393 CCOC(=O)COCCCCCCOC 7a_200012092642_100000188475 [0,1,0,0,0,0|1,0,0]=2 5176 B14R0.393 CCOC(=O)COCCCNCCCF 2230a_100015189416_100009893628 [0,1,0,0,0,0|2,0,0]=3 5177 B14R0.393 CCOC(=O)COCCCNCCCF 34a_100015189416_100009893628 [0,1,0,0,0,0|2,0,0]=3 5178 B14R0.393 CCOC(=O)COCCCNCCOC 2230a_100000209980_100009893628 [0,1,0,0,0,0|2,0,0]=3 5179 B14R0.393 CCOC(=O)COCCCNCCSC 2230a_100020590264_100009893628 [0,1,0,0,0,0|2,0,0]=3 5180 B14R0.393 CCOC(=O)COCCCOCCCBr 34a_100011217188_100009893628 [0,1,0,0,0,0|2,0,0]=3 5181 B14R0.393 CCOC(=O)COCCCOCCCCl 34a_100000230001_100009893628 [0,1,0,0,0,0|2,0,0]=3 5182 B14R0.393 CCOC(=O)COCCCOCCCF 34a_100000759539_100009893628 [0,1,0,0,0,0|2,0,0]=3 5183 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100000182051_100009893628 [0,1,0,0,0,0|2,0,0]=3 5184 B14R0.393 CCOC(=O)COCCCOCCCN 34a_100011310245_100000188475 [0,1,0,0,0,0|2,0,0]=3 5185 B14R0.393 CCOC(=O)COCCCOCCOC 34a_100000210237_100009893628 [0,1,0,0,0,0|2,0,0]=3 5186 B14R0.393 CCOC(=O)COCCCOCCON 34a_100000700252_100009893628 [0,1,0,0,0,0|3,0,0]=4 5187 B14R0.393 CCOC(=O)COCCCOCCSC 34a_100000230434_100009893628 [0,1,0,0,0,0|2,0,0]=3 5188 B14R0.393 CCOC(=O)COCCCOCCSC 7a_100000230434_100009893628 [0,1,0,0,0,0|2,0,0]=3 5189 B14R0.393 CCOC(=O)COCCCSCCC#N 62a_100009893628_100011215226 [0,1,0,0,0,0|2,0,1]=4 5190 B14R0.393 CCOC(=O)COCCCSCCC#N 62a_100011215226_100009893628 [0,1,0,0,0,0|2,0,1]=4 5191 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100009893628_100011934791 [0,1,0,0,0,0|2,0,0]=3 5192 B14R0.393 CCOC(=O)COCCCSCCCF 62a_100011934791_100009893628 [0,1,0,0,0,0|2,0,0]=3 5193 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100009893628_100011215043 [0,1,0,0,0,0|2,0,0]=3 5194 B14R0.393 CCOC(=O)COCCCSCCCO 62a_100011215043_100009893628 [0,1,0,0,0,0|2,0,0]=3 5195 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100000233755_100009893628 [0,1,0,0,0,0|2,0,0]=3 5196 B14R0.393 CCOC(=O)COCCCSCCOC 62a_100009893628_100000233755 [0,1,0,0,0,0|2,0,0]=3 5197 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100000212216_100009893628 [0,1,0,0,0,0|2,0,0]=3 5198 B14R0.393 CCOC(=O)COCCCSCCSC 62a_100009893628_100000751147 [0,1,0,0,0,0|2,0,0]=3 5199 B14R0.393 CCOC(=O)COCCNCCCCO 2230a_100000750430_100000088970 [0,1,0,0,0,0|2,0,0]=3 5200 B14R0.393 CCOC(=O)COCCNCCCCO 34a_100000750430_100000088970 [0,1,0,0,0,0|2,0,0]=3 5201 B14R0.393 CCOC(=O)COCCNCCCOC 34a_100150723488_100000088970 [0,1,0,0,0,0|2,0,0]=3 5202 B14R0.393 CCOC(=O)COCCNCCCSC 2230a_100000749238_100000088970 [0,1,0,0,0,0|2,0,0]=3 5203 B14R0.393 CCOC(=O)COCCNCCSCC 2230a_100000106463_100000088970 [0,1,0,0,0,0|2,0,0]=3 5204 B14R0.393 CCOC(=O)COCCOCCCCBr 34a_100011216708_100000088970 [0,1,0,0,0,0|2,0,0]=3 5205 B14R0.393 CCOC(=O)COCCOCCCCCl 34a_100000210776_100000088970 [0,1,0,0,0,0|2,0,0]=3 5206 B14R0.393 CCOC(=O)COCCOCCCCCl 7a_100000210776_100000088970 [0,1,0,0,0,0|2,0,0]=3 5207 B14R0.393 CCOC(=O)COCCOCCCCF 34a_100011995726_100000088970 [0,1,0,0,0,0|2,0,0]=3 5208 B14R0.393 CCOC(=O)COCCOCCCCF 7a_100011995726_100000088970 [0,1,0,0,0,0|2,0,0]=3 5209 B14R0.393 CCOC(=O)COCCOCCCCI 34a_200012148704_100000088970 [0,1,0,0,0,0|2,0,0]=3 5210 B14R0.393 CCOC(=O)COCCOCCCCN 34a_100000750430_100000088970 [0,1,0,0,0,0|2,0,0]=3 5211 B14R0.393 CCOC(=O)COCCOCCCNC 34a_100000213112_100000088970 [0,1,0,0,0,0|2,0,0]=3 5212 B14R0.393 CCOC(=O)COCCOCCCOC 34a_100000740835_100000088970 [0,1,0,0,0,0|2,0,0]=3 5213 B14R0.393 CCOC(=O)COCCOCCCSC 34a_100000690336_100000088970 [0,1,0,0,0,0|2,0,0]=3 5214 B14R0.393 CCOC(=O)COCCOCCCSC 7a_100000690336_100000088970 [0,1,0,0,0,0|2,0,0]=3 5215 B14R0.393 CCOC(=O)COCCOCCSCC 34a_100000212035_100000088970 [0,1,0,0,0,0|2,0,0]=3 5216 B14R0.393 CCOC(=O)COCCOCCSCC 7a_100000212035_100000088970 [0,1,0,0,0,0|2,0,0]=3 5217 B14R0.393 CCOC(=O)COCCSCCCC#N 62a_100000088970_100000687738 [0,1,0,0,0,0|2,0,1]=4 5218 B14R0.393 CCOC(=O)COCCSCCCC#N 62a_100000687738_100000088970 [0,1,0,0,0,0|2,0,1]=4 5219 B14R0.393 CCOC(=O)COCCSCCCC=O 62a_100000088970_200011292268 [0,1,0,0,0,0|2,0,1]=4 5220 B14R0.393 CCOC(=O)COCCSCCCC=O 62a_200011292268_100000088970 [0,1,0,0,0,0|2,0,1]=4 5221 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000088970_100000729493 [0,1,0,0,0,0|2,0,0]=3 5222 B14R0.393 CCOC(=O)COCCSCCCCF 62a_100000729493_100000088970 [0,1,0,0,0,0|2,0,0]=3 5223 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000088970_100000210776 [0,1,0,0,0,0|2,0,0]=3 5224 B14R0.393 CCOC(=O)COCCSCCCCO 62a_100000210776_100000088970 [0,1,0,0,0,0|2,0,0]=3 5225 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000088970_100000709357 [0,1,0,0,0,0|2,0,0]=3 5226 B14R0.393 CCOC(=O)COCCSCCCOC 62a_100000709357_100000088970 [0,1,0,0,0,0|2,0,0]=3 5227 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000088970_100000757381 [0,1,0,0,0,0|2,0,0]=3 5228 B14R0.393 CCOC(=O)COCCSCCSCC 62a_100000757381_100000088970 [0,1,0,0,0,0|2,0,0]=3 5229 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100000188475_100009813337 [0,1,0,0,0,0|1,0,1]=3 5230 B14R0.393 CCOC(=O)CSCCCCCCC#N 62a_100009813337_100000188475 [0,1,0,0,0,0|1,0,1]=3 5231 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000188475_100000760002 [0,1,0,0,0,0|1,0,0]=2 5232 B14R0.393 CCOC(=O)CSCCCCCCCO 62a_100000760002_100000188475 [0,1,0,0,0,0|1,0,0]=2 5233 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100000188475_100011998445 [0,1,0,0,0,0|1,0,0]=2 5234 B14R0.393 CCOC(=O)CSCCCCCCOC 62a_100011998445_100000188475 [0,1,0,0,0,0|1,0,0]=2 5235 B14R0.393 CCOC(=O)CSCCCOCCOC 62a_100000188475_100011216529 [0,1,0,0,0,0|2,0,0]=3 5236 B14R0.393 CCOC(=O)CSCCCOCCOC 62a_100011216529_100000188475 [0,1,0,0,0,0|2,0,0]=3 5237 B14R0.393 CCOC(=O)CSCCOCCCC#N 7a_200000230590_100000687738 [0,1,0,0,0,0|2,0,1]=4 5238 B14R0.393 CCOC(=O)CSCCOCCCC=O 7a_200000230590_200011292268 [0,1,0,0,0,0|2,0,1]=4 5239 B14R0.393 CCOC(=O)CSCCOCCCCF 7a_200000230590_100000729493 [0,1,0,0,0,0|2,0,0]=3 5240 B14R0.393 CCOC(=O)CSCCOCCCCO 7a_200000230590_100000210776 [0,1,0,0,0,0|2,0,0]=3 5241 B14R0.393 CCOC(=O)CSCCOCCCOC 7a_200000230590_100000740836 [0,1,0,0,0,0|2,0,0]=3 5242 B14R0.393 CCOC(=O)CSCCOCCSCC 7a_200000230590_100000757381 [0,1,0,0,0,0|2,0,0]=3 5243 B14R0.393 CCOC(=O)NCCOCCCCCBr 7a_100000746331_200011445536 [0,1,0,0,0,0|2,0,0]=3 5244 B14R0.393 CCOC(=O)NCCOCCCCCCl 7a_100000746330_200011445536 [0,1,0,0,0,0|2,0,0]=3 5245 B14R0.393 CCOC(=O)NCCOCCCCCF 34a_100000158857_100000729378 [0,1,0,0,0,0|2,0,0]=3 5246 B14R0.393 CCOC(=O)NCCOCCCCCI 7a_200012148887_200011445536 [0,1,0,0,0,0|2,0,0]=3 5247 B14R0.393 CCOC(=O)NCCOCCCCCO 34a_100000158857_100000746330 [0,1,0,0,0,0|2,0,0]=3 5248 B14R0.393 CCOC(=O)NCCOCCCCOC 34a_100000158857_100000755781 [0,1,0,0,0,0|2,0,0]=3 5249 B14R0.393 CCOC(=O)NCCOCCCCSC 7a_100011217163_200011445536 [0,1,0,0,0,0|2,0,0]=3 5250 B14R0.393 CCOC(=O)NCCOCCCSCC 7a_100011216438_200011445536 [0,1,0,0,0,0|2,0,0]=3 5251 B14R0.393 CCOC(=O)NCCOCCOCCBr 7a_100000692535_200011445536 [0,1,0,0,0,0|3,0,0]=4 5252 B14R0.393 CCOC(=O)NCCOCCOCCCl 7a_100011215305_200011445536 [0,1,0,0,0,0|3,0,0]=4 5253 B14R0.393 CCOC(=O)NCCOCCOCCF 7a_200015357709_200011445536 [0,1,0,0,0,0|3,0,0]=4 5254 B14R0.393 CCOC(=O)NCCOCCOCCI 7a_100012149058_200011445536 [0,1,0,0,0,0|3,0,0]=4 5255 B14R0.393 CCOC(=O)NCCOCCOCCO 34a_100000158857_100000692535 [0,1,0,0,0,0|3,0,0]=4 5256 B14R0.393 CCOC(=O)NCCSCCCCC#N 62a_100011219923_200011445536 [0,1,0,0,0,0|2,0,1]=4 5257 B14R0.393 CCOC(=O)NCCSCCCCC=O 62a_100000139335_200011445536 [0,1,0,0,0,0|2,0,1]=4 5258 B14R0.393 CCOC(=O)NCCSCCCCCF 62a_100000729378_200011445536 [0,1,0,0,0,0|2,0,0]=3 5259 B14R0.393 CCOC(=O)NCCSCCCCCO 62a_100000746330_200011445536 [0,1,0,0,0,0|2,0,0]=3 5260 B14R0.393 CCOC(=O)NCCSCCCCOC 62a_100000730899_200011445536 [0,1,0,0,0,0|2,0,0]=3 5261 B14R0.393 CCOC(=O)NCCSCCOCCO 62a_100011215305_200011445536 [0,1,0,0,0,0|3,0,0]=4 5262 B14R0.393 CCOC(=O)NCCSCOCCOC 62a_100000231047_200011445536 [0,1,0,0,0,0|3,0,0]=4 5263 B14R0.393 CCOC(=O)OCSCCCCCC#N 62a_100009813376_100000075025 [0,1,0,0,0,0|2,0,1]=4 5264 B14R0.393 CCOC(=O)OCSCCCCCC=O 62a_100000139337_100000075025 [0,1,0,0,0,0|2,0,1]=4 5265 B14R0.393 CCOC(=O)OCSCCCCCCF 62a_100015922095_100000075025 [0,1,0,0,0,0|2,0,0]=3 5266 B14R0.393 CCOC(=O)OCSCCCCCCO 62a_100000766143_100000075025 [0,1,0,0,0,0|2,0,0]=3 5267 B14R0.393 CCOC(=O)OCSCCOCCOC 62a_100000695917_100000075025 [0,1,0,0,0,0|3,0,0]=4 5268 B14R0.393 CCOCCCCCCCC(=O)OCC 34a_100121572206_100009991516 [0,1,0,0,0,0|0,0,0]=1 5269 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 2230a_100000210961_100016267167 [0,1,0,0,0,0|1,0,2]=4 5270 B14R0.393 CCOCCCNC/C=C/C(=O)OCC 34a_100000210961_100016267167 [0,1,0,0,0,0|1,0,2]=4 5271 B14R0.393 CCOCCCNCCCC(=O)OCC 2230a_100000210961_100009991533 [0,1,0,0,0,0|1,0,0]=2 5272 B14R0.393 CCOCCCNCCCC(=O)OCC 34a_100000210961_100009991533 [0,1,0,0,0,0|1,0,0]=2 5273 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 34a_100000757476_100016267167 [0,1,0,0,0,0|1,0,2]=4 5274 B14R0.393 CCOCCCOC/C=C/C(=O)OCC 7a_100000757476_100016267167 [0,1,0,0,0,0|1,0,2]=4 5275 B14R0.393 CCOCCCOCCCC(=O)OCC 34a_100000757476_100009991533 [0,1,0,0,0,0|1,0,0]=2 5276 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100000757476_100011215271 [0,1,0,0,0,0|1,0,0]=2 5277 B14R0.393 CCOCCCOCCCC(=O)OCC 7a_100012001163_100012232248 [0,1,0,0,0,0|1,0,0]=2 5278 B14R0.393 CCOCCCOCCNC(=O)OCC 34a_100000158857_100012232248 [0,1,0,0,0,0|2,0,0]=3 5279 B14R0.393 CCOCCCOCCNC(=O)OCC 7a_100000757476_200011445536 [0,1,0,0,0,0|2,0,0]=3 5280 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100012232248_100016267167 [0,1,0,0,0,0|1,0,2]=4 5281 B14R0.393 CCOCCCSC/C=C/C(=O)OCC 62a_100016267167_100012232248 [0,1,0,0,0,0|1,0,2]=4 5282 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100009991533_100012232248 [0,1,0,0,0,0|1,0,0]=2 5283 B14R0.393 CCOCCCSCCCC(=O)OCC 62a_100012232248_100009991533 [0,1,0,0,0,0|1,0,0]=2 5284 B14R0.393 CCOCCCSCCNC(=O)OCC 62a_100012232248_200011445536 [0,1,0,0,0,0|2,0,0]=3 5285 B14R0.393 CCOCCNCCCCC(=O)OCC 2230a_102516460346_100000750268 [0,1,0,0,0,0|1,0,0]=2 5286 B14R0.393 CCOCCNCCCCC(=O)OCC 34a_102516460346_100000750268 [0,1,0,0,0,0|1,0,0]=2 5287 B14R0.393 CCOCCNCCOCC(=O)OCC 2230a_102516460346_100000088970 [0,1,0,0,0,0|2,0,0]=3 5288 B14R0.393 CCOCCNCCOCC(=O)OCC 34a_102516460346_100000088970 [0,1,0,0,0,0|2,0,0]=3 5289 B14R0.393 CCOCCOCCCCC(=O)OCC 34a_100000210136_100000750268 [0,1,0,0,0,0|1,0,0]=2 5290 B14R0.393 CCOCCOCCCCC(=O)OCC 7a_100000210136_100000750268 [0,1,0,0,0,0|1,0,0]=2 5291 B14R0.393 CCOCCOCCNCC(=O)OCC 2230a_100102712874_100000188475 [0,1,0,0,0,0|2,0,0]=3 5292 B14R0.393 CCOCCOCCNCC(=O)OCC 34a_100102712874_100000188475 [0,1,0,0,0,0|2,0,0]=3 5293 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210136_100000088970 [0,1,0,0,0,0|2,0,0]=3 5294 B14R0.393 CCOCCOCCOCC(=O)OCC 34a_100000210240_100000188475 [0,1,0,0,0,0|2,0,0]=3 5295 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210136_100000088970 [0,1,0,0,0,0|2,0,0]=3 5296 B14R0.393 CCOCCOCCOCC(=O)OCC 7a_100000210240_100000188475 [0,1,0,0,0,0|2,0,0]=3 5297 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100000188475_100011211534 [0,1,0,0,0,0|2,0,0]=3 5298 B14R0.393 CCOCCOCCSCC(=O)OCC 62a_100011211534_100000188475 [0,1,0,0,0,0|2,0,0]=3 5299 B14R0.393 CCOCCOCCSCC(=O)OCC 7a_200000230590_100011215890 [0,1,0,0,0,0|2,0,0]=3 5300 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000210147_100000750268 [0,1,0,0,0,0|1,0,0]=2 5301 B14R0.393 CCOCCSCCCCC(=O)OCC 62a_100000750268_100011215890 [0,1,0,0,0,0|1,0,0]=2 5302 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000088970_100011215890 [0,1,0,0,0,0|2,0,0]=3 5303 B14R0.393 CCOCCSCCOCC(=O)OCC 62a_100000210147_100000088970 [0,1,0,0,0,0|2,0,0]=3 5304 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000739092_100000755133 [0,1,0,0,0,0|1,0,0]=2 5305 B14R0.393 CCOCSCCCCCC(=O)OCC 62a_100000755133_100000739092 [0,1,0,0,0,0|1,0,0]=2 5306 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100000739092_100009893628 [0,1,0,0,0,0|2,0,0]=3 5307 B14R0.393 CCOCSCCCOCC(=O)OCC 62a_100009893628_100000739092 [0,1,0,0,0,0|2,0,0]=3 5308 B14R0.393 CNNC(=O)CCCCCCCCCF 22a_100016993582_200009909015 [0,1,0,0,0,0|2,0,0]=3 5309 B14R0.393 CNNC(=O)CCCCCCCCCO 22a_100016993582_100000032657 [0,1,0,0,0,0|2,0,0]=3 5310 B14R0.393 CNNC(=O)NCCCCCCCCO 273464a_102515433106_100016993582 [0,1,0,0,0,0|3,0,0]=4 5311 B14R0.393 CNNC(=O)NCCCCCCCCO 512a_100016993582_102515433106 [0,1,0,0,0,0|3,0,0]=4 5312 B14R0.393 CNNC(=O)NCCCCCCCCO 512a_102515433106_100016993582 [0,1,0,0,0,0|3,0,0]=4 5313 B14R0.393 COCC(=O)CCCCCCCCCO 1458a_100000210968_100009813782 [0,1,0,0,0,0|2,0,0]=3 5314 B14R0.393 COCC(=O)NCCCCCCCCO 240690a_102515433106_100000210968 [0,1,0,0,0,0|3,0,0]=4 5315 B14R0.393 COCCCCCCOCC(=O)NCO 34a_200012092642_100000185155 [0,1,0,0,0,0|3,0,0]=4 5316 B14R0.393 COCCCCCCOCC(=O)NCO 7a_200012092642_100000185155 [0,1,0,0,0,0|3,0,0]=4 5317 B14R0.393 COCCCCCCSCC(=O)NCO 62a_100000185155_100011998445 [0,1,0,0,0,0|3,0,0]=4 5318 B14R0.393 COCCCCCCSCC(=O)NCO 62a_100011998445_100000185155 [0,1,0,0,0,0|3,0,0]=4 5319 B14R0.393 CSCC(=O)CCCCCCCCCO 1458a_100000184570_100009813782 [0,1,0,0,0,0|2,0,0]=3 5320 B14R0.393 CSCC(=O)NCCCCCCCCO 240690a_102515433106_100000184570 [0,1,0,0,0,0|3,0,0]=4 5321 B14R0.393 N#CCC(=O)CCCCCCCCCF 1458a_200009909015_100011214920 [0,1,0,0,0,0|2,0,1]=4 5322 B14R0.393 N#CCC(=O)CCCCCCCCCO 1458a_100051588842_100009813782 [0,1,0,0,0,0|2,0,1]=4 5323 B14R0.393 NCCCCCCCOCC(=O)NCO 34a_100011996573_100000185155 [0,1,0,0,0,0|3,0,0]=4 5324 B14R0.393 O=C(C=CBr)CCCCCCCCCO 1458a_100016273825_100009813782 [0,1,0,0,0,0|2,0,1]=4 5325 B14R0.393 O=C(C=CCl)CCCCCCCCCO 1458a_200016279998_100009813782 [0,1,0,0,0,0|2,0,1]=4 5326 B14R0.393 O=C(C=CI)CCCCCCCCCO 1458a_100016256311_100009813782 [0,1,0,0,0,0|2,0,1]=4 5327 B14R0.393 O=C(CCF)CCCCCCCCCF 1458a_200009909015_100011217306 [0,1,0,0,0,0|2,0,0]=3 5328 B14R0.393 O=C(CCO)CCCCCCCCCF 1458a_200009909015_100000211926 [0,1,0,0,0,0|2,0,0]=3 5329 B14R0.393 O=C(CCO)CCCCCCCCCO 1458a_100011216618_100009813782 [0,1,0,0,0,0|2,0,0]=3 5330 B14R0.393 O=C(CCO)NCCCCCCCCO 240690a_102515433106_100011216618 [0,1,0,0,0,0|3,0,0]=4 5331 B14R0.393 O=C(CNCCCCCCCO)NCO 2230a_100011996573_100000185155 [0,1,0,0,0,0|3,0,0]=4 5332 B14R0.393 O=C(CNCCCCCCCO)NCO 34a_100011996573_100000185155 [0,1,0,0,0,0|3,0,0]=4 5333 B14R0.393 O=C(COCCCCCCCBr)NCO 34a_100000760002_100000185155 [0,1,0,0,0,0|3,0,0]=4 5334 B14R0.393 O=C(COCCCCCCCBr)NCO 7a_100000760002_100000185155 [0,1,0,0,0,0|3,0,0]=4 5335 B14R0.393 O=C(CSCCCCCCCO)NCO 62a_100000185155_100000760002 [0,1,0,0,0,0|3,0,0]=4 5336 B14R0.393 O=C(CSCCCCCCCO)NCO 62a_100000760002_100000185155 [0,1,0,0,0,0|3,0,0]=4 5337 B14R0.432 C=C(Br)CCOCCCCC(=O)OCC 34a_100009813270_100000750268 [0,1,0,0,0,0|1,0,2]=4 5338 B14R0.432 C=C(C)CCOCCCCC(=O)OCC 34a_100000764851_100000750268 [0,1,0,0,0,0|1,0,1]=3 5339 B14R0.432 C=C(C)CCOCCOCC(=O)OCC 34a_100000764851_100000088970 [0,1,0,0,0,0|2,0,1]=4 5340 B14R0.432 C=C(C)CCOCCSCC(=O)OCC 7a_200000230590_100000730704 [0,1,0,0,0,0|2,0,1]=4 5341 B14R0.432 C=C(C)CCSCCCCC(=O)OCC 62a_100000730704_100000750268 [0,1,0,0,0,0|1,0,1]=3 5342 B14R0.432 C=C(C)CCSCCCCC(=O)OCC 62a_100000750268_100000730704 [0,1,0,0,0,0|1,0,1]=3 5343 B14R0.432 C=C(C)CCSCCOCC(=O)OCC 62a_100000088970_100000730704 [0,1,0,0,0,0|2,0,1]=4 5344 B14R0.432 C=C(C)CCSCCOCC(=O)OCC 62a_100000730704_100000088970 [0,1,0,0,0,0|2,0,1]=4 5345 B14R0.432 C=C(C)COCCCCCC(=O)OCC 34a_100000210245_100000755133 [0,1,0,0,0,0|1,0,1]=3 5346 B14R0.432 C=C(C)COCCCCCC(=O)OCC 7a_100011214988_100000748629 [0,1,0,0,0,0|1,0,1]=3 5347 B14R0.432 C=C(C)COCCCOCC(=O)OCC 34a_100000210245_100009893628 [0,1,0,0,0,0|2,0,1]=4 5348 B14R0.432 C=C(C)CSCCCCCC(=O)OCC 62a_100000748629_100000755133 [0,1,0,0,0,0|1,0,1]=3 5349 B14R0.432 C=C(C)CSCCCCCC(=O)OCC 62a_100000755133_100000211660 [0,1,0,0,0,0|1,0,1]=3 5350 B14R0.432 C=C(C)CSCCCOCC(=O)OCC 62a_100000748629_100009893628 [0,1,0,0,0,0|2,0,1]=4 5351 B14R0.432 C=C(C)CSCCCOCC(=O)OCC 62a_100009893628_100000211660 [0,1,0,0,0,0|2,0,1]=4 5352 B14R0.432 C=C(F)COCCCCCC(=O)OCC 34a_200010262243_100000755133 [0,1,0,0,0,0|1,0,2]=4 5353 B14R0.432 C=C(F)COCCCCCC(=O)OCC 7a_100011214988_100000042424 [0,1,0,0,0,0|1,0,2]=4 5354 B14R0.432 C=C(F)CSCCCCCC(=O)OCC 62a_100000042424_100000755133 [0,1,0,0,0,0|1,0,2]=4 5355 B14R0.432 C=C(F)CSCCCCCC(=O)OCC 62a_100000755133_100000042424 [0,1,0,0,0,0|1,0,2]=4 5356 B14R0.432 C=COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000036128 [0,1,0,0,0,0|1,0,2]=4 5357 B14R0.432 C=COC(=O)CNCCCCCC(C)C 34a_100011290863_100000036128 [0,1,0,0,0,0|1,0,2]=4 5358 B14R0.432 C=COC(=O)COCCCCCC(C)C 34a_100011995859_100000036128 [0,1,0,0,0,0|1,0,2]=4 5359 B14R0.432 C=COC(=O)CSCCCCCC(C)C 62a_100000036128_100000210682 [0,1,0,0,0,0|1,0,2]=4 5360 B14R0.432 C=COC(=O)CSCCCCCC(C)C 62a_100000210682_100000036128 [0,1,0,0,0,0|1,0,2]=4 5361 B14R0.432 CC(C)CCCCCCNC(=O)CCO 240690a_100000211014_100011216618 [0,1,0,0,0,0|3,0,0]=4 5362 B14R0.432 CC(C)CCCCCNCC(=O)NCO 2230a_100011290863_100000185155 [0,1,0,0,0,0|3,0,0]=4 5363 B14R0.432 CC(C)CCCCCNCC(=O)NCO 34a_100011290863_100000185155 [0,1,0,0,0,0|3,0,0]=4 5364 B14R0.432 CC(C)CCCCCOCC(=O)NCO 34a_100011995859_100000185155 [0,1,0,0,0,0|3,0,0]=4 5365 B14R0.432 CC(C)CCCCCOCC(=O)NCO 7a_100011995859_100000185155 [0,1,0,0,0,0|3,0,0]=4 5366 B14R0.432 CC(C)CCCCCSCC(=O)NCO 62a_100000185155_100000210682 [0,1,0,0,0,0|3,0,0]=4 5367 B14R0.432 CC(C)CCCCCSCC(=O)NCO 62a_100000210682_100000185155 [0,1,0,0,0,0|3,0,0]=4 5368 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 11a_100000211014_100000210699 [0,1,0,0,0,0|2,0,1]=4 5369 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210699 [0,1,0,0,0,0|2,0,1]=4 5370 B14R0.432 CC=CC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210699 [0,1,0,0,0,0|2,0,1]=4 5371 B14R0.432 CCCC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747444 [0,1,0,0,0,0|2,0,0]=3 5372 B14R0.432 CCCC(=O)CNCCCOCC(C)C 2230a_100000205972_100000747444 [0,1,0,0,0,0|3,0,0]=4 5373 B14R0.432 CCCC(=O)COCCCCCC(C)C 7a_100011995859_100000747444 [0,1,0,0,0,0|2,0,0]=3 5374 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747444 [0,1,0,0,0,0|2,0,0]=3 5375 B14R0.432 CCCC(=O)CSCCCCCC(C)C 62a_100000747444_100000210682 [0,1,0,0,0,0|2,0,0]=3 5376 B14R0.432 CCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000211992 [0,1,0,0,0,0|2,0,0]=3 5377 B14R0.432 CCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000211992 [0,1,0,0,0,0|2,0,0]=3 5378 B14R0.432 CCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000211992 [0,1,0,0,0,0|2,0,0]=3 5379 B14R0.432 CCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000211992 [0,1,0,0,0,0|2,0,0]=3 5380 B14R0.432 CCCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000211992 [0,1,0,0,0,0|3,0,0]=4 5381 B14R0.432 CCCC(=O)OCOCCCCC(C)C 34a_100011214890_100000034017 [0,1,0,0,0,0|3,0,0]=4 5382 B14R0.432 CCCC(=O)OCSCCCCC(C)C 62a_100011216152_100000034017 [0,1,0,0,0,0|3,0,0]=4 5383 B14R0.432 CCNC(=O)CCNCCCCC(=O)C 34a_100025743525_100009817362 [0,1,0,0,0,0|2,0,1]=4 5384 B14R0.432 CCNC(=O)CCNCCCCC(C)C 34a_100025743525_100011216152 [0,1,0,0,0,0|2,0,0]=3 5385 B14R0.432 CCNC(=O)CCNCCCOC(C)C 2230a_100000737246_100000737597 [0,1,0,0,0,0|3,0,0]=4 5386 B14R0.432 CCNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737597 [0,1,0,0,0,0|2,0,0]=3 5387 B14R0.432 CCNC(=O)CCOCCOCC(C)C 7a_100000703358_100000737597 [0,1,0,0,0,0|3,0,0]=4 5388 B14R0.432 CCNC(=O)CCOCCSCC(C)C 7a_200000230437_100000737597 [0,1,0,0,0,0|3,0,0]=4 5389 B14R0.432 CCNC(=O)CCSCCCCC(=O)C 62a_100000735457_100000737597 [0,1,0,0,0,0|2,0,1]=4 5390 B14R0.432 CCNC(=O)CCSCCCCC(=O)C 62a_100000737597_100000735457 [0,1,0,0,0,0|2,0,1]=4 5391 B14R0.432 CCNC(=O)CCSCCCCC(C)C 62a_100000737597_100011216152 [0,1,0,0,0,0|2,0,0]=3 5392 B14R0.432 CCNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737597 [0,1,0,0,0,0|2,0,0]=3 5393 B14R0.432 CCNC(=O)CCSCCCCN(C)C 62a_100000737597_100000690147 [0,1,0,0,0,0|3,0,0]=4 5394 B14R0.432 CCNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183381 [0,1,0,0,0,0|2,0,0]=3 5395 B14R0.432 CCNC(=O)CNCCCCCC(C)C 2230a_100016988866_100000210682 [0,1,0,0,0,0|2,0,0]=3 5396 B14R0.432 CCNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183381 [0,1,0,0,0,0|2,0,0]=3 5397 B14R0.432 CCNC(=O)CNCCCOCC(C)C 2230a_100000205972_100000183381 [0,1,0,0,0,0|3,0,0]=4 5398 B14R0.432 CCNC(=O)CNCCCOCC(C)C 34a_100000205972_100000183381 [0,1,0,0,0,0|3,0,0]=4 5399 B14R0.432 CCNC(=O)COCCCCCC(C)C 34a_100011995859_100000183381 [0,1,0,0,0,0|2,0,0]=3 5400 B14R0.432 CCNC(=O)COCCCCCC(C)C 7a_100011995859_100000183381 [0,1,0,0,0,0|2,0,0]=3 5401 B14R0.432 CCNC(=O)COCCCCNC(C)C 34a_100011521146_100000183381 [0,1,0,0,0,0|3,0,0]=4 5402 B14R0.432 CCNC(=O)CSCCCCCC(C)C 62a_100000183381_100000210682 [0,1,0,0,0,0|2,0,0]=3 5403 B14R0.432 CCNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183381 [0,1,0,0,0,0|2,0,0]=3 5404 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100000211014_100015525214 [0,1,0,0,0,0|2,0,0]=3 5405 B14R0.432 CCNC(=O)NCCCCCCC(C)C 2708a_100015525214_100000211014 [0,1,0,0,0,0|2,0,0]=3 5406 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100000211014_100015525214 [0,1,0,0,0,0|2,0,0]=3 5407 B14R0.432 CCNC(=O)NCCCCCCC(C)C 273464a_100015525214_100000211014 [0,1,0,0,0,0|2,0,0]=3 5408 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100000211014_100015525214 [0,1,0,0,0,0|2,0,0]=3 5409 B14R0.432 CCNC(=O)NCCCCCCC(C)C 512a_100015525214_100000211014 [0,1,0,0,0,0|2,0,0]=3 5410 B14R0.432 CCNC(=O)NCCCCCCN(C)C 2708a_100015525214_200011233508 [0,1,0,0,0,0|3,0,0]=4 5411 B14R0.432 CCNC(=O)NCCCCCCN(C)C 2708a_200011233508_100015525214 [0,1,0,0,0,0|3,0,0]=4 5412 B14R0.432 CCNC(=O)NCCCCCCN(C)C 273464a_100015525214_200011233508 [0,1,0,0,0,0|3,0,0]=4 5413 B14R0.432 CCNC(=O)NCCCCCCN(C)C 273464a_200011233508_100015525214 [0,1,0,0,0,0|3,0,0]=4 5414 B14R0.432 CCNC(=O)NCCCCCCN(C)C 512a_100015525214_200011233508 [0,1,0,0,0,0|3,0,0]=4 5415 B14R0.432 CCNC(=O)NCCCCCCN(C)C 512a_200011233508_100015525214 [0,1,0,0,0,0|3,0,0]=4 5416 B14R0.432 CCOC(=O)/C=C/CNCCCC(C)C 2230a_200000737386_100016267167 [0,1,0,0,0,0|1,0,2]=4 5417 B14R0.432 CCOC(=O)/C=C/CNCCCC(C)C 34a_200000737386_100016267167 [0,1,0,0,0,0|1,0,2]=4 5418 B14R0.432 CCOC(=O)/C=C/COCCCC(C)C 34a_100000210774_100016267167 [0,1,0,0,0,0|1,0,2]=4 5419 B14R0.432 CCOC(=O)/C=C/COCCCC(C)C 7a_100000210774_100016267167 [0,1,0,0,0,0|1,0,2]=4 5420 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)C 62a_100011214892_100016267167 [0,1,0,0,0,0|1,0,2]=4 5421 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)C 62a_100016267167_100011214892 [0,1,0,0,0,0|1,0,2]=4 5422 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)O 62a_100016267167_200000718107 [0,1,0,0,0,0|1,0,2]=4 5423 B14R0.432 CCOC(=O)/C=C/CSCCCC(C)O 62a_200000718107_100016267167 [0,1,0,0,0,0|1,0,2]=4 5424 B14R0.432 CCOC(=O)CCCCC=NNC(C)C 4a_100000741168_100012182868 [0,1,0,0,0,0|2,0,1]=4 5425 B14R0.432 CCOC(=O)CCCCCCCC(=O)C 1458a_100000070787_100009991516 [0,1,0,0,0,0|0,0,1]=2 5426 B14R0.432 CCOC(=O)CCCCCCCN(C)C 2230a_100102631434_100009991516 [0,1,0,0,0,0|1,0,0]=2 5427 B14R0.432 CCOC(=O)CCCCCCCN(C)C 269982a_100102631434_100009991516 [0,1,0,0,0,0|1,0,0]=2 5428 B14R0.432 CCOC(=O)CCCCCCNC(=O)C 188690a_100000741137_100015343762 [0,1,0,0,0,0|1,0,1]=3 5429 B14R0.432 CCOC(=O)CCCCCCNC(C)C 2230a_100138425928_100009814379 [0,1,0,0,0,0|1,0,0]=2 5430 B14R0.432 CCOC(=O)CCCCCCNC(C)C 34a_100138425928_100009814379 [0,1,0,0,0,0|1,0,0]=2 5431 B14R0.432 CCOC(=O)CCCCCCOC(C)C 34a_100000212225_100009814379 [0,1,0,0,0,0|1,0,0]=2 5432 B14R0.432 CCOC(=O)CCCCCCSC(C)C 62a_100000210206_100009814379 [0,1,0,0,0,0|1,0,0]=2 5433 B14R0.432 CCOC(=O)CCCCCNCC(=O)N 2230a_100000711301_100000755133 [0,1,0,0,0,0|2,0,1]=4 5434 B14R0.432 CCOC(=O)CCCCCNCC(=O)O 269956a_100016091260_100000755133 [0,1,0,0,0,0|2,0,1]=4 5435 B14R0.432 CCOC(=O)CCCCCNCC(C)C 2230a_100000210953_100000755133 [0,1,0,0,0,0|1,0,0]=2 5436 B14R0.432 CCOC(=O)CCCCCNCC(C)C 34a_100000210953_100000755133 [0,1,0,0,0,0|1,0,0]=2 5437 B14R0.432 CCOC(=O)CCCCCNCC(C)O 2230a_100000210904_100000755133 [0,1,0,0,0,0|1,0,0]=2 5438 B14R0.432 CCOC(=O)CCCCCNCC(C)O 34a_100000210904_100000755133 [0,1,0,0,0,0|1,0,0]=2 5439 B14R0.432 CCOC(=O)CCCCCNCC(F)F 34a_100000765723_100000755133 [0,1,0,0,0,0|2,0,0]=3 5440 B14R0.432 CCOC(=O)CCCCCOCC(=O)C 34a_100000211253_100000755133 [0,1,0,0,0,0|1,0,1]=3 5441 B14R0.432 CCOC(=O)CCCCCOCC(=O)N 7a_100011214988_100000187820 [0,1,0,0,0,0|2,0,1]=4 5442 B14R0.432 CCOC(=O)CCCCCOCC(C)Br 34a_100012180447_100000755133 [0,1,0,0,0,0|1,0,0]=2 5443 B14R0.432 CCOC(=O)CCCCCOCC(C)C 34a_100000210257_100000755133 [0,1,0,0,0,0|1,0,0]=2 5444 B14R0.432 CCOC(=O)CCCCCOCC(C)C 7a_100011214988_100000210760 [0,1,0,0,0,0|1,0,0]=2 5445 B14R0.432 CCOC(=O)CCCCCOCC(C)F 34a_100015925927_100000755133 [0,1,0,0,0,0|1,0,0]=2 5446 B14R0.432 CCOC(=O)CCCCCOCC(C)O 7a_100011214988_100011218427 [0,1,0,0,0,0|1,0,0]=2 5447 B14R0.432 CCOC(=O)CCCCCOCC(F)F 34a_100000743014_100000755133 [0,1,0,0,0,0|2,0,0]=3 5448 B14R0.432 CCOC(=O)CCCCCOCC(F)F 7a_100011214988_100011934356 [0,1,0,0,0,0|2,0,0]=3 5449 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100000755133 [0,1,0,0,0,0|1,0,0]=2 5450 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100000755133 [0,1,0,0,0,0|1,0,0]=2 5451 B14R0.432 CCOC(=O)CCCCCOC[C@@H](C)O 7a_100011214988_100009817552 [0,1,0,0,0,0|1,0,0]=2 5452 B14R0.432 CCOC(=O)CCCCCSCC(=O)N 62a_100000747473_100000755133 [0,1,0,0,0,0|2,0,1]=4 5453 B14R0.432 CCOC(=O)CCCCCSCC(=O)N 62a_100000755133_100000747473 [0,1,0,0,0,0|2,0,1]=4 5454 B14R0.432 CCOC(=O)CCCCCSCC(=O)[O-] 62a_100000755133_100020667443 [0,1,0,0,0,0|2,0,1]=4 5455 B14R0.432 CCOC(=O)CCCCCSCC(=O)[O-] 62a_100020667443_100000755133 [0,1,0,0,0,0|2,0,1]=4 5456 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000210624_100000755133 [0,1,0,0,0,0|1,0,0]=2 5457 B14R0.432 CCOC(=O)CCCCCSCC(C)C 62a_100000755133_100000210760 [0,1,0,0,0,0|1,0,0]=2 5458 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100000755133_100011218427 [0,1,0,0,0,0|1,0,0]=2 5459 B14R0.432 CCOC(=O)CCCCCSCC(C)O 62a_100011218427_100000755133 [0,1,0,0,0,0|1,0,0]=2 5460 B14R0.432 CCOC(=O)CCCCCSCC(F)F 62a_100000755133_100011934356 [0,1,0,0,0,0|2,0,0]=3 5461 B14R0.432 CCOC(=O)CCCCCSCC(F)F 62a_100011934356_100000755133 [0,1,0,0,0,0|2,0,0]=3 5462 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100000755133_100009817552 [0,1,0,0,0,0|1,0,0]=2 5463 B14R0.432 CCOC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100000755133 [0,1,0,0,0,0|1,0,0]=2 5464 B14R0.432 CCOC(=O)CCCCCSC[N+](=O)[O-] 62a_100000755133_100000761209 [0,1,0,0,0,0|3,0,0]=4 5465 B14R0.432 CCOC(=O)CCCCNCC=C(C)C 34a_100000718196_100000750268 [0,1,0,0,0,0|1,0,2]=4 5466 B14R0.432 CCOC(=O)CCCCNCCC(C)O 2230a_200000755665_100000750268 [0,1,0,0,0,0|1,0,0]=2 5467 B14R0.432 CCOC(=O)CCCCOCC=C(C)C 34a_100000753907_100000750268 [0,1,0,0,0,0|1,0,2]=4 5468 B14R0.432 CCOC(=O)CCCCOCCC(=O)C 34a_100000759926_100000750268 [0,1,0,0,0,0|1,0,1]=3 5469 B14R0.432 CCOC(=O)CCCCOCCC(=O)C 7a_100000759926_100000750268 [0,1,0,0,0,0|1,0,1]=3 5470 B14R0.432 CCOC(=O)CCCCOCCC(=O)N 34a_100000757172_100000750268 [0,1,0,0,0,0|2,0,1]=4 5471 B14R0.432 CCOC(=O)CCCCOCCC(=O)N 7a_100000757172_100000750268 [0,1,0,0,0,0|2,0,1]=4 5472 B14R0.432 CCOC(=O)CCCCOCCC(C)Br 34a_100009893172_100000750268 [0,1,0,0,0,0|1,0,0]=2 5473 B14R0.432 CCOC(=O)CCCCOCCC(C)C 34a_100000210254_100000750268 [0,1,0,0,0,0|1,0,0]=2 5474 B14R0.432 CCOC(=O)CCCCOCCC(C)C 7a_100000210254_100000750268 [0,1,0,0,0,0|1,0,0]=2 5475 B14R0.432 CCOC(=O)CCCCOCCC(F)F 34a_100103093639_100000750268 [0,1,0,0,0,0|2,0,0]=3 5476 B14R0.432 CCOC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000750268 [0,1,0,0,0,0|1,0,0]=2 5477 B14R0.432 CCOC(=O)CCCCSCC=C(C)C 62a_100000750268_100000761012 [0,1,0,0,0,0|1,0,2]=4 5478 B14R0.432 CCOC(=O)CCCCSCC=C(C)C 62a_100000761012_100000750268 [0,1,0,0,0,0|1,0,2]=4 5479 B14R0.432 CCOC(=O)CCCCSCCC(=O)C 62a_100000053229_100000750268 [0,1,0,0,0,0|1,0,1]=3 5480 B14R0.432 CCOC(=O)CCCCSCCC(=O)C 62a_100000750268_100000053229 [0,1,0,0,0,0|1,0,1]=3 5481 B14R0.432 CCOC(=O)CCCCSCCC(=O)N 62a_100000744528_100000750268 [0,1,0,0,0,0|2,0,1]=4 5482 B14R0.432 CCOC(=O)CCCCSCCC(=O)N 62a_100000750268_100000744528 [0,1,0,0,0,0|2,0,1]=4 5483 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000210312_100000750268 [0,1,0,0,0,0|1,0,0]=2 5484 B14R0.432 CCOC(=O)CCCCSCCC(C)C 62a_100000750268_100000210312 [0,1,0,0,0,0|1,0,0]=2 5485 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100000750268_100012276601 [0,1,0,0,0,0|1,0,0]=2 5486 B14R0.432 CCOC(=O)CCCCSCCC(C)O 62a_100012276601_100000750268 [0,1,0,0,0,0|1,0,0]=2 5487 B14R0.432 CCOC(=O)CCCCSCCN(C)C 62a_100000750268_100000755713 [0,1,0,0,0,0|2,0,0]=3 5488 B14R0.432 CCOC(=O)CCCCSCOC(=O)C 62a_100000076356_100000750268 [0,1,0,0,0,0|2,0,1]=4 5489 B14R0.432 CCOC(=O)CCCCSCOC(=O)C 62a_100000750268_100000076356 [0,1,0,0,0,0|2,0,1]=4 5490 B14R0.432 CCOC(=O)CCCCSCOC(C)C 62a_100000709892_100000750268 [0,1,0,0,0,0|2,0,0]=3 5491 B14R0.432 CCOC(=O)CCCCSCOC(C)C 62a_100000750268_100000709892 [0,1,0,0,0,0|2,0,0]=3 5492 B14R0.432 CCOC(=O)CCCNCCCC(=O)N 34a_100000739312_100009991533 [0,1,0,0,0,0|2,0,1]=4 5493 B14R0.432 CCOC(=O)CCCNCCCC(C)C 2230a_200000737386_100009991533 [0,1,0,0,0,0|1,0,0]=2 5494 B14R0.432 CCOC(=O)CCCNCCCC(C)C 34a_200000737386_100009991533 [0,1,0,0,0,0|1,0,0]=2 5495 B14R0.432 CCOC(=O)CCCNCCCS(=O)C 2230a_200000753449_100009991533 [0,1,0,0,0,0|2,0,0]=3 5496 B14R0.432 CCOC(=O)CCCNCCNC(=O)C 2230a_100000209853_100009991533 [0,1,0,0,0,0|2,0,1]=4 5497 B14R0.432 CCOC(=O)CCCNCCOC(C)C 2230a_100000701111_100009991533 [0,1,0,0,0,0|2,0,0]=3 5498 B14R0.432 CCOC(=O)CCCNCCOC(C)C 34a_100000701111_100009991533 [0,1,0,0,0,0|2,0,0]=3 5499 B14R0.432 CCOC(=O)CCCNCCSC(C)C 2230a_100000731138_100009991533 [0,1,0,0,0,0|2,0,0]=3 5500 B14R0.432 CCOC(=O)CCCNCCSC(C)C 34a_100000731138_100009991533 [0,1,0,0,0,0|2,0,0]=3 5501 B14R0.432 CCOC(=O)CCCOCCC=C(C)C 7a_100012001163_100011217483 [0,1,0,0,0,0|1,0,2]=4 5502 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 34a_100000759063_100009991533 [0,1,0,0,0,0|1,0,1]=3 5503 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 7a_100000759063_100011215271 [0,1,0,0,0,0|1,0,1]=3 5504 B14R0.432 CCOC(=O)CCCOCCCC(=O)C 7a_100012001163_100011215641 [0,1,0,0,0,0|1,0,1]=3 5505 B14R0.432 CCOC(=O)CCCOCCCC(=O)N 7a_100012001163_100102525003 [0,1,0,0,0,0|2,0,1]=4 5506 B14R0.432 CCOC(=O)CCCOCCCC(C)C 34a_100000210774_100009991533 [0,1,0,0,0,0|1,0,0]=2 5507 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100000210774_100011215271 [0,1,0,0,0,0|1,0,0]=2 5508 B14R0.432 CCOC(=O)CCCOCCCC(C)C 7a_100012001163_100011214892 [0,1,0,0,0,0|1,0,0]=2 5509 B14R0.432 CCOC(=O)CCCOCCCC(C)O 7a_100012001163_200000718107 [0,1,0,0,0,0|1,0,0]=2 5510 B14R0.432 CCOC(=O)CCCOCCCN(C)C 7a_100012001163_100000757444 [0,1,0,0,0,0|2,0,0]=3 5511 B14R0.432 CCOC(=O)CCCOCCC[N+](=O)[O-] 34a_200000037920_100009991533 [0,1,0,0,0,0|3,0,0]=4 5512 B14R0.432 CCOC(=O)CCCOCCNC(=O)C 34a_100000158858_100009991533 [0,1,0,0,0,0|2,0,1]=4 5513 B14R0.432 CCOC(=O)CCCOCCNC(=O)C 7a_100012001163_100000189650 [0,1,0,0,0,0|2,0,1]=4 5514 B14R0.432 CCOC(=O)CCCOCCNC(C)C 34a_100000224655_100009991533 [0,1,0,0,0,0|2,0,0]=3 5515 B14R0.432 CCOC(=O)CCCOCCOC(=O)C 7a_100012001163_100009814007 [0,1,0,0,0,0|2,0,1]=4 5516 B14R0.432 CCOC(=O)CCCOCCOC(C)C 34a_100000211219_100009991533 [0,1,0,0,0,0|2,0,0]=3 5517 B14R0.432 CCOC(=O)CCCOCCOC(C)C 7a_100000211219_100011215271 [0,1,0,0,0,0|2,0,0]=3 5518 B14R0.432 CCOC(=O)CCCOCCOC(C)C 7a_100012001163_100000211751 [0,1,0,0,0,0|2,0,0]=3 5519 B14R0.432 CCOC(=O)CCCOCCSC(C)C 34a_200011212901_100009991533 [0,1,0,0,0,0|2,0,0]=3 5520 B14R0.432 CCOC(=O)CCCOCCSC(C)C 7a_100012001163_100000730970 [0,1,0,0,0,0|2,0,0]=3 5521 B14R0.432 CCOC(=O)CCCOCCSC(C)C 7a_200011212901_100011215271 [0,1,0,0,0,0|2,0,0]=3 5522 B14R0.432 CCOC(=O)CCCSCCC=C(C)C 62a_100009991533_100011217483 [0,1,0,0,0,0|1,0,2]=4 5523 B14R0.432 CCOC(=O)CCCSCCC=C(C)C 62a_100011217483_100009991533 [0,1,0,0,0,0|1,0,2]=4 5524 B14R0.432 CCOC(=O)CCCSCCCC(=O)C 62a_100009991533_100011215641 [0,1,0,0,0,0|1,0,1]=3 5525 B14R0.432 CCOC(=O)CCCSCCCC(=O)C 62a_100011215641_100009991533 [0,1,0,0,0,0|1,0,1]=3 5526 B14R0.432 CCOC(=O)CCCSCCCC(=O)N 62a_100009991533_100102525003 [0,1,0,0,0,0|2,0,1]=4 5527 B14R0.432 CCOC(=O)CCCSCCCC(=O)N 62a_100102525003_100009991533 [0,1,0,0,0,0|2,0,1]=4 5528 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100009991533_100011214892 [0,1,0,0,0,0|1,0,0]=2 5529 B14R0.432 CCOC(=O)CCCSCCCC(C)C 62a_100011214892_100009991533 [0,1,0,0,0,0|1,0,0]=2 5530 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_100009991533_200000718107 [0,1,0,0,0,0|1,0,0]=2 5531 B14R0.432 CCOC(=O)CCCSCCCC(C)O 62a_200000718107_100009991533 [0,1,0,0,0,0|1,0,0]=2 5532 B14R0.432 CCOC(=O)CCCSCCCN(C)C 62a_100009991533_100000757444 [0,1,0,0,0,0|2,0,0]=3 5533 B14R0.432 CCOC(=O)CCCSCCNC(=O)C 62a_100000189650_100009991533 [0,1,0,0,0,0|2,0,1]=4 5534 B14R0.432 CCOC(=O)CCCSCCNC(=O)C 62a_100009991533_100000189650 [0,1,0,0,0,0|2,0,1]=4 5535 B14R0.432 CCOC(=O)CCCSCCOC(=O)C 62a_100009814007_100009991533 [0,1,0,0,0,0|2,0,1]=4 5536 B14R0.432 CCOC(=O)CCCSCCOC(=O)C 62a_100009991533_100009814007 [0,1,0,0,0,0|2,0,1]=4 5537 B14R0.432 CCOC(=O)CCCSCCOC(C)C 62a_100000211751_100009991533 [0,1,0,0,0,0|2,0,0]=3 5538 B14R0.432 CCOC(=O)CCCSCCOC(C)C 62a_100009991533_100000211751 [0,1,0,0,0,0|2,0,0]=3 5539 B14R0.432 CCOC(=O)CCCSCCSC(C)C 62a_100000730970_100009991533 [0,1,0,0,0,0|2,0,0]=3 5540 B14R0.432 CCOC(=O)CCCSCCSC(C)C 62a_100009991533_100000730970 [0,1,0,0,0,0|2,0,0]=3 5541 B14R0.432 CCOC(=O)CCNCCCCC(=O)N 34a_100000696515_100000765890 [0,1,0,0,0,0|2,0,1]=4 5542 B14R0.432 CCOC(=O)CCNCCCNC(=O)C 34a_100000736810_100000765890 [0,1,0,0,0,0|2,0,1]=4 5543 B14R0.432 CCOC(=O)CCNCCCOC(C)C 2230a_100000737246_100011206558 [0,1,0,0,0,0|2,0,0]=3 5544 B14R0.432 CCOC(=O)CCNCCCOC(C)C 34a_100000737246_100000765890 [0,1,0,0,0,0|2,0,0]=3 5545 B14R0.432 CCOC(=O)CCOCCCCC(=O)N 34a_100012022536_100000765890 [0,1,0,0,0,0|2,0,1]=4 5546 B14R0.432 CCOC(=O)CCOCCCCC(=O)N 7a_100012022536_100011206558 [0,1,0,0,0,0|2,0,1]=4 5547 B14R0.432 CCOC(=O)CCOCCCCC(C)C 34a_100011214890_100000765890 [0,1,0,0,0,0|1,0,0]=2 5548 B14R0.432 CCOC(=O)CCOCCCCC(C)C 7a_100011214890_100011206558 [0,1,0,0,0,0|1,0,0]=2 5549 B14R0.432 CCOC(=O)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000765890 [0,1,0,0,0,0|3,0,0]=4 5550 B14R0.432 CCOC(=O)CCOCCCC[N+](=O)[O-] 7a_200015379883_100011206558 [0,1,0,0,0,0|3,0,0]=4 5551 B14R0.432 CCOC(=O)CCOCCCNC(=O)C 34a_100000752032_100000765890 [0,1,0,0,0,0|2,0,1]=4 5552 B14R0.432 CCOC(=O)CCOCCCNC(C)C 34a_100000182298_100000765890 [0,1,0,0,0,0|2,0,0]=3 5553 B14R0.432 CCOC(=O)CCOCCNCC(C)C 34a_100015185251_100000765890 [0,1,0,0,0,0|2,0,0]=3 5554 B14R0.432 CCOC(=O)CCOCCOCC(C)C 34a_100000703358_100000765890 [0,1,0,0,0,0|2,0,0]=3 5555 B14R0.432 CCOC(=O)CCOCCOCC(C)C 7a_100000703358_100011206558 [0,1,0,0,0,0|2,0,0]=3 5556 B14R0.432 CCOC(=O)CCOCCOCC(F)F 34a_100000704375_100000765890 [0,1,0,0,0,0|3,0,0]=4 5557 B14R0.432 CCOC(=O)CCOCCOCC(F)F 7a_100000704375_100011206558 [0,1,0,0,0,0|3,0,0]=4 5558 B14R0.432 CCOC(=O)CCOCCSCC(C)C 34a_200000230437_100000765890 [0,1,0,0,0,0|2,0,0]=3 5559 B14R0.432 CCOC(=O)CCOCCSCC(C)C 7a_200000230437_100011206558 [0,1,0,0,0,0|2,0,0]=3 5560 B14R0.432 CCOC(=O)CCSCCCCB(O)O 62a_100000765890_200009817182 [0,1,0,0,0,0|3,0,0]=4 5561 B14R0.432 CCOC(=O)CCSCCCCB(O)O 62a_200009817182_100000765890 [0,1,0,0,0,0|3,0,0]=4 5562 B14R0.432 CCOC(=O)CCSCCCCC(=O)C 62a_100000735457_100000765890 [0,1,0,0,0,0|1,0,1]=3 5563 B14R0.432 CCOC(=O)CCSCCCCC(=O)C 62a_100000765890_100000735457 [0,1,0,0,0,0|1,0,1]=3 5564 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100000765890_100011216152 [0,1,0,0,0,0|1,0,0]=2 5565 B14R0.432 CCOC(=O)CCSCCCCC(C)C 62a_100011216152_100000765890 [0,1,0,0,0,0|1,0,0]=2 5566 B14R0.432 CCOC(=O)CCSCCCCN(C)C 62a_100000765890_100000690147 [0,1,0,0,0,0|2,0,0]=3 5567 B14R0.432 CCOC(=O)CCSCCCOC(=O)C 62a_100000042594_100000765890 [0,1,0,0,0,0|2,0,1]=4 5568 B14R0.432 CCOC(=O)CCSCCCOC(=O)C 62a_100000765890_100000042594 [0,1,0,0,0,0|2,0,1]=4 5569 B14R0.432 CCOC(=O)CCSCCCOC(=S)C 62a_100000765890_200135323944 [0,1,0,0,0,0|2,0,1]=4 5570 B14R0.432 CCOC(=O)CCSCCCOC(=S)C 62a_200135323944_100000765890 [0,1,0,0,0,0|2,0,1]=4 5571 B14R0.432 CCOC(=O)CCSCCCSC(=O)C 62a_100000038929_100000765890 [0,1,0,0,0,0|2,0,1]=4 5572 B14R0.432 CCOC(=O)CCSCCCSC(=O)C 62a_100000765890_100000038929 [0,1,0,0,0,0|2,0,1]=4 5573 B14R0.432 CCOC(=O)CCSCCOCC(F)F 62a_100000765890_200012177212 [0,1,0,0,0,0|3,0,0]=4 5574 B14R0.432 CCOC(=O)CCSCCOCC(F)F 62a_200012177212_100000765890 [0,1,0,0,0,0|3,0,0]=4 5575 B14R0.432 CCOC(=O)CNCCCCCC(C)C 2230a_100011290863_100000188475 [0,1,0,0,0,0|1,0,0]=2 5576 B14R0.432 CCOC(=O)CNCCCCCC(C)C 34a_100011290863_100000188475 [0,1,0,0,0,0|1,0,0]=2 5577 B14R0.432 CCOC(=O)CNCCCCNC(=O)C 2230a_200011368371_100000188475 [0,1,0,0,0,0|2,0,1]=4 5578 B14R0.432 CCOC(=O)CNCCCCNC(=O)C 34a_200011368371_100000188475 [0,1,0,0,0,0|2,0,1]=4 5579 B14R0.432 CCOC(=O)CNCCCOCC(C)C 2230a_100000205972_100000188475 [0,1,0,0,0,0|2,0,0]=3 5580 B14R0.432 CCOC(=O)CNCCCOCC(C)C 34a_100000205972_100000188475 [0,1,0,0,0,0|2,0,0]=3 5581 B14R0.432 CCOC(=O)COCCCCCC(=O)N 34a_100000123541_100000188475 [0,1,0,0,0,0|2,0,1]=4 5582 B14R0.432 CCOC(=O)COCCCCCC(=O)N 7a_100000123541_100000188475 [0,1,0,0,0,0|2,0,1]=4 5583 B14R0.432 CCOC(=O)COCCCCCC(=O)[O-] 7a_100102619762_100000188475 [0,1,0,0,0,0|2,0,1]=4 5584 B14R0.432 CCOC(=O)COCCCCCC(C)C 34a_100011995859_100000188475 [0,1,0,0,0,0|1,0,0]=2 5585 B14R0.432 CCOC(=O)COCCCCCC(C)C 7a_100011995859_100000188475 [0,1,0,0,0,0|1,0,0]=2 5586 B14R0.432 CCOC(=O)COCCCCNC(C)C 34a_100011521146_100000188475 [0,1,0,0,0,0|2,0,0]=3 5587 B14R0.432 CCOC(=O)COCCCCOC(=O)C 34a_100000073216_100000188475 [0,1,0,0,0,0|2,0,1]=4 5588 B14R0.432 CCOC(=O)COCCCCOC(=O)C 7a_100000073216_100000188475 [0,1,0,0,0,0|2,0,1]=4 5589 B14R0.432 CCOC(=O)COCCCNCC(C)C 2230a_100000210953_100009893628 [0,1,0,0,0,0|2,0,0]=3 5590 B14R0.432 CCOC(=O)COCCCNCC(C)C 34a_100000210953_100009893628 [0,1,0,0,0,0|2,0,0]=3 5591 B14R0.432 CCOC(=O)COCCCNCC(C)O 2230a_100000210904_100009893628 [0,1,0,0,0,0|2,0,0]=3 5592 B14R0.432 CCOC(=O)COCCCNCC(C)O 34a_100000210904_100009893628 [0,1,0,0,0,0|2,0,0]=3 5593 B14R0.432 CCOC(=O)COCCCNCC(F)F 34a_100000765723_100009893628 [0,1,0,0,0,0|3,0,0]=4 5594 B14R0.432 CCOC(=O)COCCCOCC(=O)C 34a_100000211253_100009893628 [0,1,0,0,0,0|2,0,1]=4 5595 B14R0.432 CCOC(=O)COCCCOCC(C)Br 34a_100012180447_100009893628 [0,1,0,0,0,0|2,0,0]=3 5596 B14R0.432 CCOC(=O)COCCCOCC(C)C 34a_100000210257_100009893628 [0,1,0,0,0,0|2,0,0]=3 5597 B14R0.432 CCOC(=O)COCCCOCC(C)F 34a_100015925927_100009893628 [0,1,0,0,0,0|2,0,0]=3 5598 B14R0.432 CCOC(=O)COCCCOCC(F)F 34a_100000743014_100009893628 [0,1,0,0,0,0|3,0,0]=4 5599 B14R0.432 CCOC(=O)COCCCOC[C@@H](C)Cl 34a_100016084084_100009893628 [0,1,0,0,0,0|2,0,0]=3 5600 B14R0.432 CCOC(=O)COCCCOC[C@@H](C)N 34a_100000737577_100009893628 [0,1,0,0,0,0|2,0,0]=3 5601 B14R0.432 CCOC(=O)COCCCSCC(C)C 62a_100000210624_100009893628 [0,1,0,0,0,0|2,0,0]=3 5602 B14R0.432 CCOC(=O)COCCCSCC(C)C 62a_100009893628_100000210760 [0,1,0,0,0,0|2,0,0]=3 5603 B14R0.432 CCOC(=O)COCCCSCC(C)O 62a_100009893628_100011218427 [0,1,0,0,0,0|2,0,0]=3 5604 B14R0.432 CCOC(=O)COCCCSCC(C)O 62a_100011218427_100009893628 [0,1,0,0,0,0|2,0,0]=3 5605 B14R0.432 CCOC(=O)COCCCSCC(F)F 62a_100009893628_100011934356 [0,1,0,0,0,0|3,0,0]=4 5606 B14R0.432 CCOC(=O)COCCCSCC(F)F 62a_100011934356_100009893628 [0,1,0,0,0,0|3,0,0]=4 5607 B14R0.432 CCOC(=O)COCCCSC[C@@H](C)O 62a_100009817552_100009893628 [0,1,0,0,0,0|2,0,0]=3 5608 B14R0.432 CCOC(=O)COCCCSC[C@@H](C)O 62a_100009893628_100009817552 [0,1,0,0,0,0|2,0,0]=3 5609 B14R0.432 CCOC(=O)COCCNCCC(C)O 2230a_200000755665_100000088970 [0,1,0,0,0,0|2,0,0]=3 5610 B14R0.432 CCOC(=O)COCCOCCC(=O)C 34a_100000759926_100000088970 [0,1,0,0,0,0|2,0,1]=4 5611 B14R0.432 CCOC(=O)COCCOCCC(=O)C 7a_100000759926_100000088970 [0,1,0,0,0,0|2,0,1]=4 5612 B14R0.432 CCOC(=O)COCCOCCC(C)Br 34a_100009893172_100000088970 [0,1,0,0,0,0|2,0,0]=3 5613 B14R0.432 CCOC(=O)COCCOCCC(C)C 34a_100000210254_100000088970 [0,1,0,0,0,0|2,0,0]=3 5614 B14R0.432 CCOC(=O)COCCOCCC(C)C 7a_100000210254_100000088970 [0,1,0,0,0,0|2,0,0]=3 5615 B14R0.432 CCOC(=O)COCCOCCC(F)F 34a_100103093639_100000088970 [0,1,0,0,0,0|3,0,0]=4 5616 B14R0.432 CCOC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000088970 [0,1,0,0,0,0|2,0,0]=3 5617 B14R0.432 CCOC(=O)COCCSCCC(=O)C 62a_100000053229_100000088970 [0,1,0,0,0,0|2,0,1]=4 5618 B14R0.432 CCOC(=O)COCCSCCC(=O)C 62a_100000088970_100000053229 [0,1,0,0,0,0|2,0,1]=4 5619 B14R0.432 CCOC(=O)COCCSCCC(C)C 62a_100000088970_100000210312 [0,1,0,0,0,0|2,0,0]=3 5620 B14R0.432 CCOC(=O)COCCSCCC(C)C 62a_100000210312_100000088970 [0,1,0,0,0,0|2,0,0]=3 5621 B14R0.432 CCOC(=O)COCCSCCC(C)O 62a_100000088970_100012276601 [0,1,0,0,0,0|2,0,0]=3 5622 B14R0.432 CCOC(=O)COCCSCCC(C)O 62a_100012276601_100000088970 [0,1,0,0,0,0|2,0,0]=3 5623 B14R0.432 CCOC(=O)COCCSCCN(C)C 62a_100000088970_100000755713 [0,1,0,0,0,0|3,0,0]=4 5624 B14R0.432 CCOC(=O)COCCSCOC(C)C 62a_100000088970_100000709892 [0,1,0,0,0,0|3,0,0]=4 5625 B14R0.432 CCOC(=O)COCCSCOC(C)C 62a_100000709892_100000088970 [0,1,0,0,0,0|3,0,0]=4 5626 B14R0.432 CCOC(=O)CSCCCCCB(O)O 62a_100000188475_200009817188 [0,1,0,0,0,0|3,0,0]=4 5627 B14R0.432 CCOC(=O)CSCCCCCB(O)O 62a_200009817188_100000188475 [0,1,0,0,0,0|3,0,0]=4 5628 B14R0.432 CCOC(=O)CSCCCCCC(=O)N 62a_100000188475_100009817443 [0,1,0,0,0,0|2,0,1]=4 5629 B14R0.432 CCOC(=O)CSCCCCCC(=O)N 62a_100009817443_100000188475 [0,1,0,0,0,0|2,0,1]=4 5630 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000188475_100000210682 [0,1,0,0,0,0|1,0,0]=2 5631 B14R0.432 CCOC(=O)CSCCCCCC(C)C 62a_100000210682_100000188475 [0,1,0,0,0,0|1,0,0]=2 5632 B14R0.432 CCOC(=O)CSCCCCOC(=O)C 62a_100000033659_100000188475 [0,1,0,0,0,0|2,0,1]=4 5633 B14R0.432 CCOC(=O)CSCCCCOC(=O)C 62a_100000188475_100000033659 [0,1,0,0,0,0|2,0,1]=4 5634 B14R0.432 CCOC(=O)CSCCCCSC(=O)C 62a_100000188475_200010402107 [0,1,0,0,0,0|2,0,1]=4 5635 B14R0.432 CCOC(=O)CSCCCCSC(=O)C 62a_200010402107_100000188475 [0,1,0,0,0,0|2,0,1]=4 5636 B14R0.432 CCOC(=O)CSCCOCCC(=O)C 7a_200000230590_100000053229 [0,1,0,0,0,0|2,0,1]=4 5637 B14R0.432 CCOC(=O)CSCCOCCC(C)C 7a_200000230590_100000210626 [0,1,0,0,0,0|2,0,0]=3 5638 B14R0.432 CCOC(=O)CSCCOCCC(C)O 7a_200000230590_100012276601 [0,1,0,0,0,0|2,0,0]=3 5639 B14R0.432 CCOC(=O)CSCCOCCN(C)C 7a_200000230590_100000755713 [0,1,0,0,0,0|3,0,0]=4 5640 B14R0.432 CCOC(=O)NCCOCCCC(=O)C 34a_100000158857_100000685027 [0,1,0,0,0,0|2,0,1]=4 5641 B14R0.432 CCOC(=O)NCCOCCCC(=O)C 7a_100000759063_200011445536 [0,1,0,0,0,0|2,0,1]=4 5642 B14R0.432 CCOC(=O)NCCOCCCC(C)C 34a_100000158857_100011214892 [0,1,0,0,0,0|2,0,0]=3 5643 B14R0.432 CCOC(=O)NCCOCCCC(C)C 7a_100000210774_200011445536 [0,1,0,0,0,0|2,0,0]=3 5644 B14R0.432 CCOC(=O)NCCOCCCC(C)O 34a_100000158857_200000718107 [0,1,0,0,0,0|2,0,0]=3 5645 B14R0.432 CCOC(=O)NCCOCCOC(C)C 34a_100000158857_100000211751 [0,1,0,0,0,0|3,0,0]=4 5646 B14R0.432 CCOC(=O)NCCOCCOC(C)C 7a_100000211219_200011445536 [0,1,0,0,0,0|3,0,0]=4 5647 B14R0.432 CCOC(=O)NCCOCCSC(C)C 34a_100000158857_100000730970 [0,1,0,0,0,0|3,0,0]=4 5648 B14R0.432 CCOC(=O)NCCOCCSC(C)C 7a_200011212901_200011445536 [0,1,0,0,0,0|3,0,0]=4 5649 B14R0.432 CCOC(=O)NCCSCCCC(=O)C 62a_100011215641_200011445536 [0,1,0,0,0,0|2,0,1]=4 5650 B14R0.432 CCOC(=O)NCCSCCCC(C)C 62a_100011214892_200011445536 [0,1,0,0,0,0|2,0,0]=3 5651 B14R0.432 CCOC(=O)NCCSCCCC(C)O 62a_200000718107_200011445536 [0,1,0,0,0,0|2,0,0]=3 5652 B14R0.432 CCOC(=O)NCCSCCOC(C)C 62a_100000211751_200011445536 [0,1,0,0,0,0|3,0,0]=4 5653 B14R0.432 CCOC(=O)NCCSCCSC(C)C 62a_100000730970_200011445536 [0,1,0,0,0,0|3,0,0]=4 5654 B14R0.432 CCOC(=O)OCSCCCCC(=O)C 62a_100000735457_100000075025 [0,1,0,0,0,0|2,0,1]=4 5655 B14R0.432 CCOC(=O)OCSCCCCC(C)C 62a_100011216152_100000075025 [0,1,0,0,0,0|2,0,0]=3 5656 B14R0.432 CNNC(=O)NCCCCCCC(C)C 273464a_100000211014_100016993582 [0,1,0,0,0,0|3,0,0]=4 5657 B14R0.432 CNNC(=O)NCCCCCCC(C)C 512a_100000211014_100016993582 [0,1,0,0,0,0|3,0,0]=4 5658 B14R0.432 CNNC(=O)NCCCCCCC(C)C 512a_100016993582_100000211014 [0,1,0,0,0,0|3,0,0]=4 5659 B14R0.432 COCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210968 [0,1,0,0,0,0|3,0,0]=4 5660 B14R0.432 COCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210968 [0,1,0,0,0,0|3,0,0]=4 5661 B14R0.432 COCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210968 [0,1,0,0,0,0|3,0,0]=4 5662 B14R0.432 COCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210968 [0,1,0,0,0,0|3,0,0]=4 5663 B14R0.432 CSCC(=O)NCCCCCCC(C)C 11a_100000211014_100000184570 [0,1,0,0,0,0|3,0,0]=4 5664 B14R0.432 CSCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000184570 [0,1,0,0,0,0|3,0,0]=4 5665 B14R0.432 CSCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000184570 [0,1,0,0,0,0|3,0,0]=4 5666 B14R0.432 CSCC(=O)NCCCCCCC(C)C 527a_100000211014_100000184570 [0,1,0,0,0,0|3,0,0]=4 5667 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000210558_100000753159 [0,1,0,0,0,0|1,0,1]=3 5668 B14R0.493 C#CCCC(=O)CCCCCCCCC 1458a_100000692101_100000210670 [0,1,0,0,0,0|1,0,1]=3 5669 B14R0.493 C#CCCC(=O)CCCCCCCCO 1458a_100000692101_100000033203 [0,1,0,0,0,0|2,0,1]=4 5670 B14R0.493 C#CCCC(=O)CCOCCCCCC 34a_100011064465_100000210314 [0,1,0,0,0,0|2,0,1]=4 5671 B14R0.493 C#CCCC(=O)CCOCCCCCC 7a_100011064465_100000210314 [0,1,0,0,0,0|2,0,1]=4 5672 B14R0.493 C#CCCC(=O)NCCCCCCCC 11a_100000229939_100000692101 [0,1,0,0,0,0|2,0,1]=4 5673 B14R0.493 C#CCCC(=O)NCCCCCCCC 1626a_100000229939_100000692101 [0,1,0,0,0,0|2,0,1]=4 5674 B14R0.493 C#CCCC(=O)NCCCCCCCC 240690a_100000229939_100000692101 [0,1,0,0,0,0|2,0,1]=4 5675 B14R0.493 C#CCCC(=O)NCCCCCCCC 527a_100000229939_100000692101 [0,1,0,0,0,0|2,0,1]=4 5676 B14R0.493 C#CCCCCCCCC(=O)C#CCC 1458a_100011827653_100153394163 [0,1,0,0,0,0|1,0,2]=4 5677 B14R0.493 C#CCCCCCCCC(=O)C=CCC 1458a_100000212282_100153394163 [0,1,0,0,0,0|1,0,2]=4 5678 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000087357_100000210211 [0,1,0,0,0,0|1,0,2]=4 5679 B14R0.493 C#CCCCCCCCC(=O)CCCC 1458a_100000210183_100153394163 [0,1,0,0,0,0|1,0,2]=4 5680 B14R0.493 C#CCCCCCCCC(=O)CCCF 1458a_100000087357_100011934791 [0,1,0,0,0,0|1,0,2]=4 5681 B14R0.493 C#CCCCCCCCC(=O)CCCO 1458a_100000087357_100011215043 [0,1,0,0,0,0|1,0,2]=4 5682 B14R0.493 C#CCCCCCCCC(=O)CCOC 1458a_100000087357_100000233755 [0,1,0,0,0,0|1,0,2]=4 5683 B14R0.493 C#CCCCCCCCC(=O)CCOC 1458a_100000749529_100153394163 [0,1,0,0,0,0|1,0,2]=4 5684 B14R0.493 C#CCCCCCCCC(=O)CCSC 1458a_100000087357_100000751147 [0,1,0,0,0,0|1,0,2]=4 5685 B14R0.493 C#CCCCCCCCC(=O)CCSC 1458a_100000174002_100153394163 [0,1,0,0,0,0|1,0,2]=4 5686 B14R0.493 C#CCCCCCCCC(=O)COCC 1458a_100000211967_100153394163 [0,1,0,0,0,0|0,0,2]=3 5687 B14R0.493 C#CCCCCCCCC(=O)CSCC 1458a_100000230394_100153394163 [0,1,0,0,0,0|0,1,2]=4 5688 B14R0.493 C#CCCCCCCCC(=O)NCCC 11a_100020643023_100000087357 [0,1,0,0,0,0|1,0,2]=4 5689 B14R0.493 C#CCCCCCCCC(=O)NCCC 1626a_100020643023_100000087357 [0,1,0,0,0,0|1,0,2]=4 5690 B14R0.493 C#CCCCCCCCC(=O)NCCC 240690a_100020643023_100000087357 [0,1,0,0,0,0|1,0,2]=4 5691 B14R0.493 C#CCCCCCCCC(=O)NCCC 527a_100020643023_100000087357 [0,1,0,0,0,0|1,0,2]=4 5692 B14R0.493 C#CCCCCCCCC(=O)NCCF 11a_100000724931_100000087357 [0,1,0,0,0,0|1,0,2]=4 5693 B14R0.493 C#CCCCCCCCC(=O)NCCF 1626a_100000724931_100000087357 [0,1,0,0,0,0|1,0,2]=4 5694 B14R0.493 C#CCCCCCCCC(=O)NCCF 240690a_100000724931_100000087357 [0,1,0,0,0,0|1,0,2]=4 5695 B14R0.493 C#CCCCCCCCC(=O)NCCF 527a_100000724931_100000087357 [0,1,0,0,0,0|1,0,2]=4 5696 B14R0.493 C#CCCCCCCCC(=O)NCCO 240690a_100000210304_100000087357 [0,1,0,0,0,0|1,0,2]=4 5697 B14R0.493 C#CCCCCCCCC(=O)NCCO 527a_100000210304_100000087357 [0,1,0,0,0,0|1,0,2]=4 5698 B14R0.493 C#CCCCCCCCC(=O)NNCC 22a_100000756455_100000087357 [0,1,0,0,0,0|1,0,2]=4 5699 B14R0.493 C#CCCCCCOCC(=O)OCCC 34a_100000766912_200011215008 [0,1,0,0,0,0|1,0,2]=4 5700 B14R0.493 C#CCCCCCOCC(=O)OCCC 7a_100000766912_200011215008 [0,1,0,0,0,0|1,0,2]=4 5701 B14R0.493 C#CCCCCCSCC(=O)OCCC 62a_100012094781_200011215008 [0,1,0,0,0,0|1,0,2]=4 5702 B14R0.493 C#CCCCCCSCC(=O)OCCC 62a_200011215008_100012094781 [0,1,0,0,0,0|1,0,2]=4 5703 B14R0.493 C#CCNC(=O)CCCCCCCCC 11a_100000212058_100000210558 [0,1,0,0,0,0|1,0,1]=3 5704 B14R0.493 C#CCNC(=O)CCCCCCCCC 1626a_100000212058_100000210558 [0,1,0,0,0,0|1,0,1]=3 5705 B14R0.493 C#CCNC(=O)CCCCCCCCC 240690a_100000212058_100000210558 [0,1,0,0,0,0|1,0,1]=3 5706 B14R0.493 C#CCNC(=O)CCCCCCCCC 527a_100000212058_100000210558 [0,1,0,0,0,0|1,0,1]=3 5707 B14R0.493 C#CCNC(=O)CCCCCCCCO 240690a_100000212058_100000015970 [0,1,0,0,0,0|2,0,1]=4 5708 B14R0.493 C#CCNC(=O)CNCCCCCCC 2230a_100000747989_100000210681 [0,1,0,0,0,0|2,0,1]=4 5709 B14R0.493 C#CCNC(=O)CNCCCCCCC 34a_100000747989_100000210614 [0,1,0,0,0,0|2,0,1]=4 5710 B14R0.493 C#CCNC(=O)NCCCCCCCC 2708a_100000212058_100000229939 [0,1,0,0,0,0|2,0,1]=4 5711 B14R0.493 C#CCNC(=O)NCCCCCCCC 2708a_100000229939_100000212058 [0,1,0,0,0,0|2,0,1]=4 5712 B14R0.493 C#CCNC(=O)NCCCCCCCC 273464a_100000212058_100000229939 [0,1,0,0,0,0|2,0,1]=4 5713 B14R0.493 C#CCNC(=O)NCCCCCCCC 273464a_100000229939_100000212058 [0,1,0,0,0,0|2,0,1]=4 5714 B14R0.493 C#CCNC(=O)NCCCCCCCC 512a_100000212058_100000229939 [0,1,0,0,0,0|2,0,1]=4 5715 B14R0.493 C#CCNC(=O)NCCCCCCCC 512a_100000229939_100000212058 [0,1,0,0,0,0|2,0,1]=4 5716 B14R0.493 C#CCOC(C)CCCCCCCCC 34a_100011218016_100000184674 [0,1,0,0,0,0|1,0,2]=4 5717 B14R0.493 C#CCOC(C)CCCCCCCCC 7a_100011218016_100000038162 [0,1,0,0,0,0|1,0,2]=4 5718 B14R0.493 C/C=C/CC(=O)CCCCCCCCC 1458a_100000210558_100102629194 [0,1,0,0,0,0|1,0,1]=3 5719 B14R0.493 C=C(CNCCCCCCO)OCOC 34a_100000686447_100000042856 [0,1,0,0,0,0|3,0,0]=4 5720 B14R0.493 C=C(CNCCCCCOC)OCOC 34a_100000747528_100000042856 [0,1,0,0,0,0|3,0,0]=4 5721 B14R0.493 C=C(CNCCCOCCC)OCOC 34a_100011217757_100000042856 [0,1,0,0,0,0|3,0,0]=4 5722 B14R0.493 C=C(COCCCCCCBr)OCOC 34a_100011215345_100000042856 [0,1,0,0,0,0|3,0,0]=4 5723 B14R0.493 C=C(COCCCCCCC)OCOC 34a_100000210272_100000042856 [0,1,0,0,0,0|2,0,0]=3 5724 B14R0.493 C=C(COCCCCCCCl)OCOC 34a_100000766143_100000042856 [0,1,0,0,0,0|3,0,0]=4 5725 B14R0.493 C=C(COCCCCCCF)OCOC 34a_100000732779_100000042856 [0,1,0,0,0,0|3,0,0]=4 5726 B14R0.493 C=C(COCCCCCCN)OCOC 34a_100000686447_100000042856 [0,1,0,0,0,0|3,0,0]=4 5727 B14R0.493 C=C(COCCCCCNC)OCOC 34a_100000722520_100000042856 [0,1,0,0,0,0|3,0,0]=4 5728 B14R0.493 C=C(COCCOCCCC)OCOC 34a_100000210238_100000042856 [0,1,0,0,0,0|3,0,0]=4 5729 B14R0.493 C=C(COCCSCCCC)OCOC 34a_200000230436_100000042856 [0,1,0,0,0,0|3,0,0]=4 5730 B14R0.493 C=C(CSCCCCCCC)OCOC 62a_100000042856_100000210316 [0,1,0,0,0,0|2,0,0]=3 5731 B14R0.493 C=C(CSCCCCCCC)OCOC 62a_100000210614_100000042856 [0,1,0,0,0,0|2,0,0]=3 5732 B14R0.493 C=C(CSCCCCCCF)OCOC 62a_100000042856_100015922095 [0,1,0,0,0,0|3,0,0]=4 5733 B14R0.493 C=C(CSCCCCCCF)OCOC 62a_100015922095_100000042856 [0,1,0,0,0,0|3,0,0]=4 5734 B14R0.493 C=C(CSCCCCCCO)OCOC 62a_100000042856_100000766143 [0,1,0,0,0,0|3,0,0]=4 5735 B14R0.493 C=C(CSCCCCCCO)OCOC 62a_100000766143_100000042856 [0,1,0,0,0,0|3,0,0]=4 5736 B14R0.493 C=C(CSCCOCCCC)OCOC 62a_100000042856_100000743108 [0,1,0,0,0,0|3,0,0]=4 5737 B14R0.493 C=C(CSCCOCCCC)OCOC 62a_100000743108_100000042856 [0,1,0,0,0,0|3,0,0]=4 5738 B14R0.493 C=CC=CC(=O)CCCCCCCCC 1458a_100016291481_100000210670 [0,1,0,0,0,0|1,0,2]=4 5739 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000210558_100000754431 [0,1,0,0,0,0|1,0,1]=3 5740 B14R0.493 C=CCCC(=O)CCCCCCCCC 1458a_100000749702_100000210670 [0,1,0,0,0,0|1,0,1]=3 5741 B14R0.493 C=CCCC(=O)CCCCCCCCO 1458a_100000749702_100000033203 [0,1,0,0,0,0|2,0,1]=4 5742 B14R0.493 C=CCCC(=O)NCCCCCCCC 11a_100000229939_100000749702 [0,1,0,0,0,0|2,0,1]=4 5743 B14R0.493 C=CCCC(=O)NCCCCCCCC 1626a_100000229939_100000749702 [0,1,0,0,0,0|2,0,1]=4 5744 B14R0.493 C=CCCC(=O)NCCCCCCCC 240690a_100000229939_100000749702 [0,1,0,0,0,0|2,0,1]=4 5745 B14R0.493 C=CCCC(=O)NCCCCCCCC 527a_100000229939_100000749702 [0,1,0,0,0,0|2,0,1]=4 5746 B14R0.493 C=CCCCCCCCC(=O)C#CCC 1458a_100011827653_100012355270 [0,1,0,0,0,0|1,0,2]=4 5747 B14R0.493 C=CCCCCCCCC(=O)C=CCC 1458a_100000212282_100012355270 [0,1,0,0,0,0|1,0,2]=4 5748 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100000210183_100012355270 [0,1,0,0,0,0|1,0,2]=4 5749 B14R0.493 C=CCCCCCCCC(=O)CCCC 1458a_100011216160_100000210211 [0,1,0,0,0,0|1,0,2]=4 5750 B14R0.493 C=CCCCCCCCC(=O)CCCF 1458a_100011216160_100011934791 [0,1,0,0,0,0|1,0,2]=4 5751 B14R0.493 C=CCCCCCCCC(=O)CCCO 1458a_100011216160_100011215043 [0,1,0,0,0,0|1,0,2]=4 5752 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100000749529_100012355270 [0,1,0,0,0,0|1,0,2]=4 5753 B14R0.493 C=CCCCCCCCC(=O)CCOC 1458a_100011216160_100000233755 [0,1,0,0,0,0|1,0,2]=4 5754 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100000174002_100012355270 [0,1,0,0,0,0|1,0,2]=4 5755 B14R0.493 C=CCCCCCCCC(=O)CCSC 1458a_100011216160_100000751147 [0,1,0,0,0,0|1,0,2]=4 5756 B14R0.493 C=CCCCCCCCC(=O)COCC 1458a_100000211967_100012355270 [0,1,0,0,0,0|0,0,2]=3 5757 B14R0.493 C=CCCCCCCCC(=O)CSCC 1458a_100000230394_100012355270 [0,1,0,0,0,0|0,1,2]=4 5758 B14R0.493 C=CCCCCCCCC(=O)NCCC 11a_100020643023_100011216160 [0,1,0,0,0,0|1,0,2]=4 5759 B14R0.493 C=CCCCCCCCC(=O)NCCC 1626a_100020643023_100011216160 [0,1,0,0,0,0|1,0,2]=4 5760 B14R0.493 C=CCCCCCCCC(=O)NCCC 240690a_100020643023_100011216160 [0,1,0,0,0,0|1,0,2]=4 5761 B14R0.493 C=CCCCCCCCC(=O)NCCC 527a_100020643023_100011216160 [0,1,0,0,0,0|1,0,2]=4 5762 B14R0.493 C=CCCCCCCCC(=O)NCCF 11a_100000724931_100011216160 [0,1,0,0,0,0|1,0,2]=4 5763 B14R0.493 C=CCCCCCCCC(=O)NCCF 1626a_100000724931_100011216160 [0,1,0,0,0,0|1,0,2]=4 5764 B14R0.493 C=CCCCCCCCC(=O)NCCF 240690a_100000724931_100011216160 [0,1,0,0,0,0|1,0,2]=4 5765 B14R0.493 C=CCCCCCCCC(=O)NCCF 527a_100000724931_100011216160 [0,1,0,0,0,0|1,0,2]=4 5766 B14R0.493 C=CCCCCCCCC(=O)NCCO 240690a_100000210304_100011216160 [0,1,0,0,0,0|1,0,2]=4 5767 B14R0.493 C=CCCCCCCCC(=O)NCCO 527a_100000210304_100011216160 [0,1,0,0,0,0|1,0,2]=4 5768 B14R0.493 C=CCCCCCCCC(=O)NNCC 22a_100000756455_100011216160 [0,1,0,0,0,0|1,0,2]=4 5769 B14R0.493 C=CCCCCCOCC(=O)OCCC 34a_100011216702_200011215008 [0,1,0,0,0,0|1,0,2]=4 5770 B14R0.493 C=CCCCCCOCC(=O)OCCC 7a_100011216702_200011215008 [0,1,0,0,0,0|1,0,2]=4 5771 B14R0.493 C=CCCCCCSCC(=O)OCCC 62a_100000700193_200011215008 [0,1,0,0,0,0|1,0,2]=4 5772 B14R0.493 C=CCCCCCSCC(=O)OCCC 62a_200011215008_100000700193 [0,1,0,0,0,0|1,0,2]=4 5773 B14R0.493 C=CCNC(=O)CCCCCCCCC 1626a_100020586998_100000210558 [0,1,0,0,0,0|1,0,1]=3 5774 B14R0.493 C=CCNC(=O)CCCCCCCCC 240690a_100020586998_100000210558 [0,1,0,0,0,0|1,0,1]=3 5775 B14R0.493 C=CCNC(=O)CCCCCCCCC 527a_100020586998_100000210558 [0,1,0,0,0,0|1,0,1]=3 5776 B14R0.493 C=CCNC(=O)CCCCCCCCO 240690a_100020586998_100000015970 [0,1,0,0,0,0|2,0,1]=4 5777 B14R0.493 C=CCNC(=O)CCNCCCCCC 2230a_100000210581_100011222895 [0,1,0,0,0,0|2,0,1]=4 5778 B14R0.493 C=CCNC(=O)CCOCCCCCC 7a_100000210259_100011222895 [0,1,0,0,0,0|2,0,1]=4 5779 B14R0.493 C=CCNC(=O)CCSCCCCCC 62a_100000210314_100011222895 [0,1,0,0,0,0|2,0,1]=4 5780 B14R0.493 C=CCNC(=O)CCSCCCCCC 62a_100011222895_100000210757 [0,1,0,0,0,0|2,0,1]=4 5781 B14R0.493 C=CCNC(=O)CNCCCCCCC 2230a_100000229938_100000183597 [0,1,0,0,0,0|2,0,1]=4 5782 B14R0.493 C=CCNC(=O)COCCCCCCC 7a_100000210272_100000183597 [0,1,0,0,0,0|2,0,1]=4 5783 B14R0.493 C=CCNC(=O)CSCCCCCCC 62a_100000183597_100000210316 [0,1,0,0,0,0|2,0,1]=4 5784 B14R0.493 C=CCNC(=O)CSCCCCCCC 62a_100000210614_100000183597 [0,1,0,0,0,0|2,0,1]=4 5785 B14R0.493 C=CCNC(=O)NCCCCCCCC 2708a_100000229939_100020586998 [0,1,0,0,0,0|2,0,1]=4 5786 B14R0.493 C=CCNC(=O)NCCCCCCCC 273464a_100000229939_100020586998 [0,1,0,0,0,0|2,0,1]=4 5787 B14R0.493 C=CCNC(=O)NCCCCCCCC 273464a_100020586998_100000229939 [0,1,0,0,0,0|2,0,1]=4 5788 B14R0.493 C=CCNC(=O)NCCCCCCCC 512a_100000229939_100020586998 [0,1,0,0,0,0|2,0,1]=4 5789 B14R0.493 C=CCNC(=O)NCCCCCCCC 512a_100020586998_100000229939 [0,1,0,0,0,0|2,0,1]=4 5790 B14R0.493 C=CCOC(=O)CNCCCCCCC 2230a_100000229938_100000033060 [0,1,0,0,0,0|1,0,1]=3 5791 B14R0.493 C=CCOC(=O)CNCCCCCCO 2230a_100000686447_100000033060 [0,1,0,0,0,0|2,0,1]=4 5792 B14R0.493 C=CCOC(=O)CNCCCCCCO 34a_100000686447_100000033060 [0,1,0,0,0,0|2,0,1]=4 5793 B14R0.493 C=CCOC(=O)CNCCCCCOC 2230a_100000747528_100000033060 [0,1,0,0,0,0|2,0,1]=4 5794 B14R0.493 C=CCOC(=O)CNCCCCCOC 34a_100000747528_100000033060 [0,1,0,0,0,0|2,0,1]=4 5795 B14R0.493 C=CCOC(=O)CNCCCOCCC 2230a_100011217757_100000033060 [0,1,0,0,0,0|2,0,1]=4 5796 B14R0.493 C=CCOC(=O)CNCCCOCCC 34a_100011217757_100000033060 [0,1,0,0,0,0|2,0,1]=4 5797 B14R0.493 C=CCOC(=O)CNCCSCCCC 2230a_100025743550_100000033060 [0,1,0,0,0,0|2,0,1]=4 5798 B14R0.493 C=CCOC(=O)COCCCCCCBr 34a_100011215345_100000033060 [0,1,0,0,0,0|2,0,1]=4 5799 B14R0.493 C=CCOC(=O)COCCCCCCBr 7a_100011215345_100000033060 [0,1,0,0,0,0|2,0,1]=4 5800 B14R0.493 C=CCOC(=O)COCCCCCCC 34a_100000210272_100000033060 [0,1,0,0,0,0|1,0,1]=3 5801 B14R0.493 C=CCOC(=O)COCCCCCCC 7a_100000210272_100000033060 [0,1,0,0,0,0|1,0,1]=3 5802 B14R0.493 C=CCOC(=O)COCCCCCCCl 34a_100000766143_100000033060 [0,1,0,0,0,0|2,0,1]=4 5803 B14R0.493 C=CCOC(=O)COCCCCCCCl 7a_100000766143_100000033060 [0,1,0,0,0,0|2,0,1]=4 5804 B14R0.493 C=CCOC(=O)COCCCCCCF 34a_100000732779_100000033060 [0,1,0,0,0,0|2,0,1]=4 5805 B14R0.493 C=CCOC(=O)COCCCCCCF 7a_100000732779_100000033060 [0,1,0,0,0,0|2,0,1]=4 5806 B14R0.493 C=CCOC(=O)COCCCCCCN 34a_100000686447_100000033060 [0,1,0,0,0,0|2,0,1]=4 5807 B14R0.493 C=CCOC(=O)COCCCCCNC 34a_100000722520_100000033060 [0,1,0,0,0,0|2,0,1]=4 5808 B14R0.493 C=CCOC(=O)COCCOCCCC 34a_100000210238_100000033060 [0,1,0,0,0,0|2,0,1]=4 5809 B14R0.493 C=CCOC(=O)COCCOCCCC 7a_100000210238_100000033060 [0,1,0,0,0,0|2,0,1]=4 5810 B14R0.493 C=CCOC(=O)COCCSCCCC 34a_200000230436_100000033060 [0,1,0,0,0,0|2,0,1]=4 5811 B14R0.493 C=CCOC(=O)COCCSCCCC 7a_200000230436_100000033060 [0,1,0,0,0,0|2,0,1]=4 5812 B14R0.493 C=CCOC(=O)CSCCCCCCC 62a_100000033060_100000210316 [0,1,0,0,0,0|1,0,1]=3 5813 B14R0.493 C=CCOC(=O)CSCCCCCCC 62a_100000210614_100000033060 [0,1,0,0,0,0|1,0,1]=3 5814 B14R0.493 C=CCOC(=O)CSCCCCCCF 62a_100000033060_100015922095 [0,1,0,0,0,0|2,0,1]=4 5815 B14R0.493 C=CCOC(=O)CSCCCCCCF 62a_100015922095_100000033060 [0,1,0,0,0,0|2,0,1]=4 5816 B14R0.493 C=CCOC(=O)CSCCCCCCO 62a_100000033060_100000766143 [0,1,0,0,0,0|2,0,1]=4 5817 B14R0.493 C=CCOC(=O)CSCCCCCCO 62a_100000766143_100000033060 [0,1,0,0,0,0|2,0,1]=4 5818 B14R0.493 C=CCOC(=O)CSCCOCCCC 62a_100000033060_100000743108 [0,1,0,0,0,0|2,0,1]=4 5819 B14R0.493 C=CCOC(=O)CSCCOCCCC 62a_100000743108_100000033060 [0,1,0,0,0,0|2,0,1]=4 5820 B14R0.493 C=CCOC(C)CCCCCCCCC 34a_100011218016_100015514636 [0,1,0,0,0,0|1,0,2]=4 5821 B14R0.493 C=CCOC(C)CCCCCCCCC 7a_100011218016_100015514636 [0,1,0,0,0,0|1,0,2]=4 5822 B14R0.493 CC#CCC(=O)CCCCCCCCC 1458a_100000210558_100000748600 [0,1,0,0,0,0|1,0,1]=3 5823 B14R0.493 CC/C=C/CCCOCC(=O)OCCC 34a_100016287902_200011215008 [0,1,0,0,0,0|1,0,2]=4 5824 B14R0.493 CC/C=C/CCCOCC(=O)OCCC 7a_100016287902_200011215008 [0,1,0,0,0,0|1,0,2]=4 5825 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100000210558_100000070051 [0,1,0,0,0,0|1,0,1]=3 5826 B14R0.493 CC=CCC(=O)CCCCCCCCC 1458a_100121576822_100000210670 [0,1,0,0,0,0|1,0,1]=3 5827 B14R0.493 CC=CCC(=O)CCCCCCCCO 1458a_100121576822_100000033203 [0,1,0,0,0,0|2,0,1]=4 5828 B14R0.493 CC=CCC(=O)NCCCCCCCC 11a_100000229939_100121576822 [0,1,0,0,0,0|2,0,1]=4 5829 B14R0.493 CC=CCC(=O)NCCCCCCCC 1626a_100000229939_100121576822 [0,1,0,0,0,0|2,0,1]=4 5830 B14R0.493 CC=CCC(=O)NCCCCCCCC 240690a_100000229939_100121576822 [0,1,0,0,0,0|2,0,1]=4 5831 B14R0.493 CC=CCC(=O)NCCCCCCCC 527a_100000229939_100121576822 [0,1,0,0,0,0|2,0,1]=4 5832 B14R0.493 CC=NNC(=O)CCCCCCCCC 4a_100011221126_200000210099 [0,1,0,0,0,0|1,0,1]=3 5833 B14R0.493 CCC#CC(=O)CCCC#CCCCC 1458a_100011827653_200000047210 [0,1,0,0,0,0|1,0,2]=4 5834 B14R0.493 CCC#CC(=O)CCCCCCCCC 1458a_100011827653_100000210670 [0,1,0,0,0,0|1,0,0]=2 5835 B14R0.493 CCC#CC(=O)CCCCCCCCO 1458a_100011827653_100000033203 [0,1,0,0,0,0|2,0,0]=3 5836 B14R0.493 CCC=CC(=O)CCCC#CCCCC 1458a_100000212282_200000047210 [0,1,0,0,0,0|1,0,2]=4 5837 B14R0.493 CCC=CC(=O)CCCCCCCCC 1458a_100000212282_100000210670 [0,1,0,0,0,0|1,0,0]=2 5838 B14R0.493 CCC=CC(=O)CCCCCCCCO 1458a_100000212282_100000033203 [0,1,0,0,0,0|2,0,0]=3 5839 B14R0.493 CCC=CC(=O)NCCCCCCCC 11a_100000229939_100000212282 [0,1,0,0,0,0|2,0,0]=3 5840 B14R0.493 CCC=CC(=O)NCCCCCCCC 1626a_100000229939_100000212282 [0,1,0,0,0,0|2,0,0]=3 5841 B14R0.493 CCC=CC(=O)NCCCCCCCC 240690a_100000229939_100000212282 [0,1,0,0,0,0|2,0,0]=3 5842 B14R0.493 CCC=CC(=O)NCCCCCCCO 240690a_100011996573_100000212282 [0,1,0,0,0,0|3,0,0]=4 5843 B14R0.493 CCC=CC(=O)NCCCOCCCC 1626a_200000211371_100000212282 [0,1,0,0,0,0|3,0,0]=4 5844 B14R0.493 CCC=CC(=O)NCCCOCCCC 240690a_200000211371_100000212282 [0,1,0,0,0,0|3,0,0]=4 5845 B14R0.493 CCCC#CCCOCC(=O)OCCC 34a_100000042726_200011215008 [0,1,0,0,0,0|1,0,2]=4 5846 B14R0.493 CCCC#CCCOCC(=O)OCCC 7a_100000042726_200011215008 [0,1,0,0,0,0|1,0,2]=4 5847 B14R0.493 CCCC/C=C/COCC(=O)OCCC 34a_200016272032_200011215008 [0,1,0,0,0,0|1,0,2]=4 5848 B14R0.493 CCCC/C=C/COCC(=O)OCCC 7a_200016272032_200011215008 [0,1,0,0,0,0|1,0,2]=4 5849 B14R0.493 CCCCC#CCCCC(=O)CCCC 1458a_100000210183_200000047210 [0,1,0,0,0,0|1,0,2]=4 5850 B14R0.493 CCCCC#CCCCC(=O)CCOC 1458a_100000749529_200000047210 [0,1,0,0,0,0|1,0,2]=4 5851 B14R0.493 CCCCC#CCCCC(=O)CCSC 1458a_100000174002_200000047210 [0,1,0,0,0,0|1,0,2]=4 5852 B14R0.493 CCCCC#CCCCC(=O)COCC 1458a_100000211967_200000047210 [0,1,0,0,0,0|0,0,2]=3 5853 B14R0.493 CCCCC#CCCCC(=O)CSCC 1458a_100000230394_200000047210 [0,1,0,0,0,0|0,1,2]=4 5854 B14R0.493 CCCCC#CCOCC(=O)OCCC 34a_200000034558_200011215008 [0,1,0,0,0,0|1,0,2]=4 5855 B14R0.493 CCCCC#CCOCC(=O)OCCC 7a_200000034558_200011215008 [0,1,0,0,0,0|1,0,2]=4 5856 B14R0.493 CCCCC(=O)CCCCCCCCO 1458a_100000210183_100000033203 [0,1,0,0,0,0|2,0,0]=3 5857 B14R0.493 CCCCC(=O)NCCCCCCCO 240690a_100011996573_100000210183 [0,1,0,0,0,0|3,0,0]=4 5858 B14R0.493 CCCCC/C=C/CCC(=O)CCCC 1458a_200015255902_100000210211 [0,1,0,0,0,0|1,0,2]=4 5859 B14R0.493 CCCCC/C=C/CCC(=O)CCCF 1458a_200015255902_100011934791 [0,1,0,0,0,0|1,0,2]=4 5860 B14R0.493 CCCCC/C=C/CCC(=O)CCCO 1458a_200015255902_100011215043 [0,1,0,0,0,0|1,0,2]=4 5861 B14R0.493 CCCCC/C=C/CCC(=O)CCOC 1458a_200015255902_100000233755 [0,1,0,0,0,0|1,0,2]=4 5862 B14R0.493 CCCCC/C=C/CCC(=O)CCSC 1458a_200015255902_100000751147 [0,1,0,0,0,0|1,0,2]=4 5863 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 11a_100020643023_200015255902 [0,1,0,0,0,0|1,0,2]=4 5864 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 1626a_100020643023_200015255902 [0,1,0,0,0,0|1,0,2]=4 5865 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 240690a_100020643023_200015255902 [0,1,0,0,0,0|1,0,2]=4 5866 B14R0.493 CCCCC/C=C/CCC(=O)NCCC 527a_100020643023_200015255902 [0,1,0,0,0,0|1,0,2]=4 5867 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 11a_100000724931_200015255902 [0,1,0,0,0,0|1,0,2]=4 5868 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 1626a_100000724931_200015255902 [0,1,0,0,0,0|1,0,2]=4 5869 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 240690a_100000724931_200015255902 [0,1,0,0,0,0|1,0,2]=4 5870 B14R0.493 CCCCC/C=C/CCC(=O)NCCF 527a_100000724931_200015255902 [0,1,0,0,0,0|1,0,2]=4 5871 B14R0.493 CCCCC/C=C/CCC(=O)NCCO 240690a_100000210304_200015255902 [0,1,0,0,0,0|1,0,2]=4 5872 B14R0.493 CCCCC/C=C/CCC(=O)NCCO 527a_100000210304_200015255902 [0,1,0,0,0,0|1,0,2]=4 5873 B14R0.493 CCCCC/C=C/CCC(=O)NNCC 22a_100000756455_200015255902 [0,1,0,0,0,0|1,0,2]=4 5874 B14R0.493 CCCCCC/C=C/CC(=O)CCCC 1458a_100020681715_100000210211 [0,1,0,0,0,0|1,0,2]=4 5875 B14R0.493 CCCCCC/C=C/CC(=O)CCCF 1458a_100020681715_100011934791 [0,1,0,0,0,0|1,0,2]=4 5876 B14R0.493 CCCCCC/C=C/CC(=O)CCCO 1458a_100020681715_100011215043 [0,1,0,0,0,0|1,0,2]=4 5877 B14R0.493 CCCCCC/C=C/CC(=O)CCOC 1458a_100020681715_100000233755 [0,1,0,0,0,0|1,0,2]=4 5878 B14R0.493 CCCCCC/C=C/CC(=O)CCSC 1458a_100020681715_100000751147 [0,1,0,0,0,0|1,0,2]=4 5879 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 11a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 5880 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 1626a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 5881 B14R0.493 CCCCCC/C=C/CC(=O)NCCC 240690a_100020643023_100020681715 [0,1,0,0,0,0|1,0,2]=4 5882 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 11a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 5883 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 1626a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 5884 B14R0.493 CCCCCC/C=C/CC(=O)NCCF 240690a_100000724931_100020681715 [0,1,0,0,0,0|1,0,2]=4 5885 B14R0.493 CCCCCC/C=C/CC(=O)NCCO 240690a_100000210304_100020681715 [0,1,0,0,0,0|1,0,2]=4 5886 B14R0.493 CCCCCC/C=C/CC(=O)NNCC 22a_100000756455_100020681715 [0,1,0,0,0,0|1,0,2]=4 5887 B14R0.493 CCCCCCC=NNC(=O)COCC 4a_100000216846_100000234349 [0,1,0,0,0,0|2,0,1]=4 5888 B14R0.493 CCCCCCCC=CC(=O)CCCC 1458a_200015332781_100000210211 [0,1,0,0,0,0|1,0,2]=4 5889 B14R0.493 CCCCCCCC=CC(=O)CCCF 1458a_200015332781_100011934791 [0,1,0,0,0,0|1,0,2]=4 5890 B14R0.493 CCCCCCCC=CC(=O)CCCO 1458a_200015332781_100011215043 [0,1,0,0,0,0|1,0,2]=4 5891 B14R0.493 CCCCCCCC=CC(=O)CCOC 1458a_200015332781_100000233755 [0,1,0,0,0,0|1,0,2]=4 5892 B14R0.493 CCCCCCCC=CC(=O)CCSC 1458a_200015332781_100000751147 [0,1,0,0,0,0|1,0,2]=4 5893 B14R0.493 CCCCCCCC=CC(=O)NCCC 11a_100020643023_200015332781 [0,1,0,0,0,0|1,0,2]=4 5894 B14R0.493 CCCCCCCC=CC(=O)NCCC 1626a_100020643023_200015332781 [0,1,0,0,0,0|1,0,2]=4 5895 B14R0.493 CCCCCCCC=CC(=O)NCCC 240690a_100020643023_200015332781 [0,1,0,0,0,0|1,0,2]=4 5896 B14R0.493 CCCCCCCC=CC(=O)NCCF 11a_100000724931_200015332781 [0,1,0,0,0,0|1,0,2]=4 5897 B14R0.493 CCCCCCCC=CC(=O)NCCF 1626a_100000724931_200015332781 [0,1,0,0,0,0|1,0,2]=4 5898 B14R0.493 CCCCCCCC=CC(=O)NCCF 240690a_100000724931_200015332781 [0,1,0,0,0,0|1,0,2]=4 5899 B14R0.493 CCCCCCCC=CC(=O)NCCO 240690a_100000210304_200015332781 [0,1,0,0,0,0|1,0,2]=4 5900 B14R0.493 CCCCCCCC=CC(=O)NNCC 22a_100000756455_200015332781 [0,1,0,0,0,0|1,0,2]=4 5901 B14R0.493 CCCCCCCCCC(=NNCC)C 4a_100000756455_100011215753 [0,1,0,0,0,0|2,0,0]=3 5902 B14R0.493 CCCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210670 [0,1,0,0,0,0|1,0,1]=3 5903 B14R0.493 CCCCCCCCCC(=O)C=COC 1458a_100016268678_100000210670 [0,1,0,0,0,0|1,0,1]=3 5904 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100000210558_100011215226 [0,1,0,0,0,0|1,0,1]=3 5905 B14R0.493 CCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210670 [0,1,0,0,0,0|1,0,1]=3 5906 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210670 [0,1,0,0,0,0|1,0,0]=2 5907 B14R0.493 CCCCCCCCCC(=O)CCCC 1458a_100000210558_100000210211 [0,1,0,0,0,0|1,0,0]=2 5908 B14R0.493 CCCCCCCCCC(=O)CCCF 1458a_100000210558_100011934791 [0,1,0,0,0,0|1,0,0]=2 5909 B14R0.493 CCCCCCCCCC(=O)CCCO 1458a_100000210558_100011215043 [0,1,0,0,0,0|1,0,0]=2 5910 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000210558_100000233755 [0,1,0,0,0,0|1,0,0]=2 5911 B14R0.493 CCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210670 [0,1,0,0,0,0|1,0,0]=2 5912 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210670 [0,1,0,0,0,0|1,0,0]=2 5913 B14R0.493 CCCCCCCCCC(=O)CCSC 1458a_100000210558_100000751147 [0,1,0,0,0,0|1,0,0]=2 5914 B14R0.493 CCCCCCCCCC(=O)COCC 1458a_100000211967_100000210670 [0,1,0,0,0,0|0,0,0]=1 5915 B14R0.493 CCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210670 [0,1,0,0,0,0|0,1,0]=2 5916 B14R0.493 CCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210558 [0,1,0,0,0,0|1,0,1]=3 5917 B14R0.493 CCCCCCCCCC(=O)NCC#N 527a_100000734998_100000210558 [0,1,0,0,0,0|1,0,1]=3 5918 B14R0.493 CCCCCCCCCC(=O)NCCC 11a_100020643023_100000210558 [0,1,0,0,0,0|1,0,0]=2 5919 B14R0.493 CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210558 [0,1,0,0,0,0|1,0,0]=2 5920 B14R0.493 CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210558 [0,1,0,0,0,0|1,0,0]=2 5921 B14R0.493 CCCCCCCCCC(=O)NCCC 527a_100020643023_100000210558 [0,1,0,0,0,0|1,0,0]=2 5922 B14R0.493 CCCCCCCCCC(=O)NCCF 11a_100000724931_100000210558 [0,1,0,0,0,0|1,0,0]=2 5923 B14R0.493 CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210558 [0,1,0,0,0,0|1,0,0]=2 5924 B14R0.493 CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210558 [0,1,0,0,0,0|1,0,0]=2 5925 B14R0.493 CCCCCCCCCC(=O)NCCF 527a_100000724931_100000210558 [0,1,0,0,0,0|1,0,0]=2 5926 B14R0.493 CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210558 [0,1,0,0,0,0|1,0,0]=2 5927 B14R0.493 CCCCCCCCCC(=O)NCCO 527a_100000210304_100000210558 [0,1,0,0,0,0|1,0,0]=2 5928 B14R0.493 CCCCCCCCCC(=O)NNCC 22a_100000756455_100000210558 [0,1,0,0,0,0|1,0,0]=2 5929 B14R0.493 CCCCCCCCCC(=O)OCNC 2230a_106832991635_200010990708 [0,1,0,0,0,0|0,0,0]=1 5930 B14R0.493 CCCCCCCCCC(=O)OCNC 34a_100102657272_200010990708 [0,1,0,0,0,0|0,0,0]=1 5931 B14R0.493 CCCCCCCCCC(=O)OCNC 7a_106832991635_200010990708 [0,1,0,0,0,0|0,0,0]=1 5932 B14R0.493 CCCCCCCCCC(=O)OCOC 34a_100138415774_200010990708 [0,1,0,0,0,0|0,0,0]=1 5933 B14R0.493 CCCCCCCCCC(=O)OCSC 62a_200000210301_200010990708 [0,1,0,0,0,0|0,0,0]=1 5934 B14R0.493 CCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_200010990708 [0,1,0,0,0,0|0,0,0]=1 5935 B14R0.493 CCCCCCCCCC(C)CNCC 270004a_100015525214_200011218516 [0,1,0,0,0,0|2,0,1]=4 5936 B14R0.493 CCCCCCCCCC(C)NCCC 270004a_100020643023_100011215753 [0,1,0,0,0,0|2,0,1]=4 5937 B14R0.493 CCCCCCCCCC(C)NCCO 270004a_100000210304_100011215753 [0,1,0,0,0,0|2,0,1]=4 5938 B14R0.493 CCCCCCCCCC(C)OCC#N 7a_100011218016_100011215382 [0,1,0,0,0,0|1,0,2]=4 5939 B14R0.493 CCCCCCCCCC(C)OCC=O 34a_100011218016_200009817547 [0,1,0,0,0,0|1,0,2]=4 5940 B14R0.493 CCCCCCCCCC(C)OCC=O 7a_100011218016_200015260668 [0,1,0,0,0,0|1,0,2]=4 5941 B14R0.493 CCCCCCCCCC(C)OCCC 34a_100011218016_100000210303 [0,1,0,0,0,0|1,0,1]=3 5942 B14R0.493 CCCCCCCCCC(C)OCCC 7a_100011218016_100000210303 [0,1,0,0,0,0|1,0,1]=3 5943 B14R0.493 CCCCCCCCCC(C)OCCF 34a_100011218016_100011217306 [0,1,0,0,0,0|1,0,1]=3 5944 B14R0.493 CCCCCCCCCC(C)OCCF 7a_100011218016_100011217306 [0,1,0,0,0,0|1,0,1]=3 5945 B14R0.493 CCCCCCCCCC(C)OCCO 34a_100011218016_100000211926 [0,1,0,0,0,0|1,0,1]=3 5946 B14R0.493 CCCCCCCCCC(C)OCCO 7a_100011218016_100000211926 [0,1,0,0,0,0|1,0,1]=3 5947 B14R0.493 CCCCCCCCCC(C)OCSC 34a_100011218016_100011218213 [0,1,0,0,0,0|1,0,1]=3 5948 B14R0.493 CCCCCCCCCN(C)CCCC 2230a_100000207549_100011214924 [0,1,0,0,0,0|3,0,0]=4 5949 B14R0.493 CCCCCCCCCN(C)CCCC 2230a_100000232482_100000210211 [0,1,0,0,0,0|3,0,0]=4 5950 B14R0.493 CCCCCCCCCN(C)CCCC 269982a_100000207549_100000210670 [0,1,0,0,0,0|3,0,0]=4 5951 B14R0.493 CCCCCCCCCN(C)CCCC 269982a_100000232482_100000210211 [0,1,0,0,0,0|3,0,0]=4 5952 B14R0.493 CCCCCCCCCN(C)CCCF 2230a_100000232482_100011934791 [0,1,0,0,0,0|3,0,0]=4 5953 B14R0.493 CCCCCCCCCN(C)CCCF 269982a_100000232482_100011934791 [0,1,0,0,0,0|3,0,0]=4 5954 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000213112_100011214924 [0,1,0,0,0,0|3,0,0]=4 5955 B14R0.493 CCCCCCCCCN(C)CCCO 2230a_100000232482_100000230001 [0,1,0,0,0,0|3,0,0]=4 5956 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000213112_100000210670 [0,1,0,0,0,0|3,0,0]=4 5957 B14R0.493 CCCCCCCCCN(C)CCCO 269982a_100000232482_100011215043 [0,1,0,0,0,0|3,0,0]=4 5958 B14R0.493 CCCCCCCCCN(C)CCOC 2230a_100000232482_100011201679 [0,1,0,0,0,0|3,0,0]=4 5959 B14R0.493 CCCCCCCCCN(C)CCOC 2230a_100000743101_100011214924 [0,1,0,0,0,0|3,0,0]=4 5960 B14R0.493 CCCCCCCCCN(C)CCOC 269982a_100000232482_100000233755 [0,1,0,0,0,0|3,0,0]=4 5961 B14R0.493 CCCCCCCCCN(C)CCOC 269982a_100000743101_100000210670 [0,1,0,0,0,0|3,0,0]=4 5962 B14R0.493 CCCCCCCCCN(C)CCSC 2230a_100000232482_100000751147 [0,1,0,0,0,0|3,0,0]=4 5963 B14R0.493 CCCCCCCCCN(C)CCSC 2230a_100000686725_100011214924 [0,1,0,0,0,0|3,0,0]=4 5964 B14R0.493 CCCCCCCCCN(C)CCSC 269982a_100000232482_100000212216 [0,1,0,0,0,0|3,0,0]=4 5965 B14R0.493 CCCCCCCCCN(C)CCSC 269982a_100000686725_100000210670 [0,1,0,0,0,0|3,0,0]=4 5966 B14R0.493 CCCCCCCCCN(C)COCC 269982a_100000232482_100000739092 [0,1,0,0,0,0|2,0,0]=3 5967 B14R0.493 CCCCCCCCNC(=O)C=COC 1626a_100000229939_100016268678 [0,1,0,0,0,0|2,0,1]=4 5968 B14R0.493 CCCCCCCCNC(=O)C=COC 240690a_100000229939_100016268678 [0,1,0,0,0,0|2,0,1]=4 5969 B14R0.493 CCCCCCCCNC(=O)CCC#N 11a_100000229939_100011934036 [0,1,0,0,0,0|2,0,1]=4 5970 B14R0.493 CCCCCCCCNC(=O)CCC#N 1626a_100000229939_100011934036 [0,1,0,0,0,0|2,0,1]=4 5971 B14R0.493 CCCCCCCCNC(=O)CCC#N 240690a_100000229939_100011934036 [0,1,0,0,0,0|2,0,1]=4 5972 B14R0.493 CCCCCCCCNC(=O)CCC#N 527a_100000229939_100011934036 [0,1,0,0,0,0|2,0,1]=4 5973 B14R0.493 CCCCCCCCNC(=O)CCCC 11a_100000229939_100000210183 [0,1,0,0,0,0|2,0,0]=3 5974 B14R0.493 CCCCCCCCNC(=O)CCCC 1626a_100000229939_100000210183 [0,1,0,0,0,0|2,0,0]=3 5975 B14R0.493 CCCCCCCCNC(=O)CCCC 240690a_100000229939_100000210183 [0,1,0,0,0,0|2,0,0]=3 5976 B14R0.493 CCCCCCCCNC(=O)CCCC 527a_100000229939_100000210183 [0,1,0,0,0,0|2,0,0]=3 5977 B14R0.493 CCCCCCCCNC(=O)CCOC 11a_100000229939_100000749529 [0,1,0,0,0,0|2,0,0]=3 5978 B14R0.493 CCCCCCCCNC(=O)CCOC 1626a_100000229939_100000749529 [0,1,0,0,0,0|2,0,0]=3 5979 B14R0.493 CCCCCCCCNC(=O)CCOC 240690a_100000229939_100000749529 [0,1,0,0,0,0|2,0,0]=3 5980 B14R0.493 CCCCCCCCNC(=O)CCOC 527a_100000229939_100000749529 [0,1,0,0,0,0|2,0,0]=3 5981 B14R0.493 CCCCCCCCNC(=O)CCSC 11a_100000229939_100000174002 [0,1,0,0,0,0|2,0,0]=3 5982 B14R0.493 CCCCCCCCNC(=O)CCSC 1626a_100000229939_100000174002 [0,1,0,0,0,0|2,0,0]=3 5983 B14R0.493 CCCCCCCCNC(=O)CCSC 240690a_100000229939_100000174002 [0,1,0,0,0,0|2,0,0]=3 5984 B14R0.493 CCCCCCCCNC(=O)CCSC 527a_100000229939_100000174002 [0,1,0,0,0,0|2,0,0]=3 5985 B14R0.493 CCCCCCCCNC(=O)COCC 11a_100000229939_100000211967 [0,1,0,0,0,0|1,0,0]=2 5986 B14R0.493 CCCCCCCCNC(=O)COCC 1626a_100000229939_100000211967 [0,1,0,0,0,0|1,0,0]=2 5987 B14R0.493 CCCCCCCCNC(=O)COCC 240690a_100000229939_100000211967 [0,1,0,0,0,0|1,0,0]=2 5988 B14R0.493 CCCCCCCCNC(=O)COCC 527a_100000229939_100000211967 [0,1,0,0,0,0|1,0,0]=2 5989 B14R0.493 CCCCCCCCNC(=O)CSCC 11a_100000229939_100000230394 [0,1,0,0,0,0|1,1,0]=3 5990 B14R0.493 CCCCCCCCNC(=O)CSCC 1626a_100000229939_100000230394 [0,1,0,0,0,0|1,1,0]=3 5991 B14R0.493 CCCCCCCCNC(=O)CSCC 240690a_100000229939_100000230394 [0,1,0,0,0,0|1,1,0]=3 5992 B14R0.493 CCCCCCCCNC(=O)CSCC 527a_100000229939_100000230394 [0,1,0,0,0,0|1,1,0]=3 5993 B14R0.493 CCCCCCCCNC(=O)NCC#N 2708a_100000734998_100000229939 [0,1,0,0,0,0|2,0,1]=4 5994 B14R0.493 CCCCCCCCNC(=O)NCC#N 273464a_100000229939_100000734998 [0,1,0,0,0,0|2,0,1]=4 5995 B14R0.493 CCCCCCCCNC(=O)NCC#N 273464a_100000734998_100000229939 [0,1,0,0,0,0|2,0,1]=4 5996 B14R0.493 CCCCCCCCNC(=O)NCC#N 512a_100000229939_100000734998 [0,1,0,0,0,0|2,0,1]=4 5997 B14R0.493 CCCCCCCCNC(=O)NCC#N 512a_100000734998_100000229939 [0,1,0,0,0,0|2,0,1]=4 5998 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100000229939_100020643023 [0,1,0,0,0,0|2,0,0]=3 5999 B14R0.493 CCCCCCCCNC(=O)NCCC 2708a_100020643023_100000229939 [0,1,0,0,0,0|2,0,0]=3 6000 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100000229939_100020643023 [0,1,0,0,0,0|2,0,0]=3 6001 B14R0.493 CCCCCCCCNC(=O)NCCC 273464a_100020643023_100000229939 [0,1,0,0,0,0|2,0,0]=3 6002 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100000229939_100020643023 [0,1,0,0,0,0|2,0,0]=3 6003 B14R0.493 CCCCCCCCNC(=O)NCCC 512a_100020643023_100000229939 [0,1,0,0,0,0|2,0,0]=3 6004 B14R0.493 CCCCCCCCNC(=O)NCCF 2708a_100000229939_100000724931 [0,1,0,0,0,0|2,0,0]=3 6005 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000229939_100000724931 [0,1,0,0,0,0|2,0,0]=3 6006 B14R0.493 CCCCCCCCNC(=O)NCCF 273464a_100000724931_100000229939 [0,1,0,0,0,0|2,0,0]=3 6007 B14R0.493 CCCCCCCCNC(=O)NCCF 512a_100000229939_100000724931 [0,1,0,0,0,0|2,0,0]=3 6008 B14R0.493 CCCCCCCCNC(=O)NCCO 2708a_100000229939_100000210304 [0,1,0,0,0,0|2,0,0]=3 6009 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000210304_100000229939 [0,1,0,0,0,0|2,0,0]=3 6010 B14R0.493 CCCCCCCCNC(=O)NCCO 273464a_100000229939_100000210304 [0,1,0,0,0,0|2,0,0]=3 6011 B14R0.493 CCCCCCCCNC(=O)NCCO 512a_100000229939_100000210304 [0,1,0,0,0,0|2,0,0]=3 6012 B14R0.493 CCCCCCCCNC(=O)NNCC 273464a_100000229939_100000756455 [0,1,0,0,0,0|2,0,0]=3 6013 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000229939_100000756455 [0,1,0,0,0,0|2,0,0]=3 6014 B14R0.493 CCCCCCCCNC(=O)NNCC 512a_100000756455_100000229939 [0,1,0,0,0,0|2,0,0]=3 6015 B14R0.493 CCCCCCCCOC(C)COCC 34a_100000718985_100000210759 [0,1,0,0,0,0|2,0,1]=4 6016 B14R0.493 CCCCCCCCOC(C)COCC 7a_100000718985_100000210759 [0,1,0,0,0,0|2,0,1]=4 6017 B14R0.493 CCCCCCCNCC(=O)NCC#N 2230a_100000229938_100000736037 [0,1,0,0,0,0|2,0,1]=4 6018 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210681 [0,1,0,0,0,0|2,0,0]=3 6019 B14R0.493 CCCCCCCNCC(=O)NCCC 2230a_100000229938_100000183358 [0,1,0,0,0,0|2,0,0]=3 6020 B14R0.493 CCCCCCCNCC(=O)NCCF 2230a_100000725713_100000210681 [0,1,0,0,0,0|2,0,0]=3 6021 B14R0.493 CCCCCCCNCC(=O)OCCC 2230a_100000229938_200011215008 [0,1,0,0,0,0|1,0,0]=2 6022 B14R0.493 CCCCCCCNCC(C)OCCC 2230a_100015185124_100000210681 [0,1,0,0,0,0|2,0,1]=4 6023 B14R0.493 CCCCCCCNCC(C)OCCC 34a_100015185124_100000210614 [0,1,0,0,0,0|2,0,1]=4 6024 B14R0.493 CCCCCCCNCC(O)COCC 2230a_102515437182_100000210681 [0,1,0,0,0,0|1,0,2]=4 6025 B14R0.493 CCCCCCCNCC(O)COCC 34a_102515437182_100000210614 [0,1,0,0,0,0|1,0,2]=4 6026 B14R0.493 CCCCCCCOCC(=O)NCC#N 7a_100000210272_100000736037 [0,1,0,0,0,0|2,0,1]=4 6027 B14R0.493 CCCCCCCOCC(=O)NCCC 34a_100000210272_100000183358 [0,1,0,0,0,0|2,0,0]=3 6028 B14R0.493 CCCCCCCOCC(=O)NCCC 7a_100000210272_100000183358 [0,1,0,0,0,0|2,0,0]=3 6029 B14R0.493 CCCCCCCOCC(=O)OCCC 34a_100000210272_200011215008 [0,1,0,0,0,0|1,0,0]=2 6030 B14R0.493 CCCCCCCOCC(=O)OCCC 7a_100000210272_200011215008 [0,1,0,0,0,0|1,0,0]=2 6031 B14R0.493 CCCCCCCOC[C@@H](C)OCOC 34a_100016172286_100000210614 [0,1,0,0,0,0|2,0,1]=4 6032 B14R0.493 CCCCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210614 [0,1,0,0,0,0|2,0,1]=4 6033 B14R0.493 CCCCCCCSCC(=O)NCC#N 62a_100000210614_100000736037 [0,1,0,0,0,0|2,0,1]=4 6034 B14R0.493 CCCCCCCSCC(=O)NCC#N 62a_100000736037_100000210316 [0,1,0,0,0,0|2,0,1]=4 6035 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000183358_100000210316 [0,1,0,0,0,0|2,0,0]=3 6036 B14R0.493 CCCCCCCSCC(=O)NCCC 62a_100000210614_100000183358 [0,1,0,0,0,0|2,0,0]=3 6037 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_100000210614_200011215008 [0,1,0,0,0,0|1,0,0]=2 6038 B14R0.493 CCCCCCCSCC(=O)OCCC 62a_200011215008_100000210316 [0,1,0,0,0,0|1,0,0]=2 6039 B14R0.493 CCCCCCOCOC(=O)OCCC 34a_100000210259_200000139673 [0,1,0,0,0,0|2,0,0]=3 6040 B14R0.493 CCCCCCOCOC(=O)OCCC 7a_100000210259_200000139673 [0,1,0,0,0,0|2,0,0]=3 6041 B14R0.493 CCCCCCSCOC(=O)OCCC 62a_100000210314_200000139673 [0,1,0,0,0,0|2,0,0]=3 6042 B14R0.493 CCCCCNCCCC(=O)NCCC 2230a_100000209983_100011194427 [0,1,0,0,0,0|2,0,0]=3 6043 B14R0.493 CCCCCOCCCC(=O)NCCC 7a_100000210253_100011194427 [0,1,0,0,0,0|2,0,0]=3 6044 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100000210326_100011194427 [0,1,0,0,0,0|2,0,0]=3 6045 B14R0.493 CCCCCSCCCC(=O)NCCC 62a_100011194427_100000210326 [0,1,0,0,0,0|2,0,0]=3 6046 B14R0.493 CCCCOCCCNC(=O)CCCC 1626a_200000211371_100000210183 [0,1,0,0,0,0|3,0,0]=4 6047 B14R0.493 CCCCOCCCNC(=O)CCCC 240690a_200000211371_100000210183 [0,1,0,0,0,0|3,0,0]=4 6048 B14R0.493 CCCCOCCCNC(=O)CCCC 527a_200000211371_100000210183 [0,1,0,0,0,0|3,0,0]=4 6049 B14R0.493 CCCCOCCCNC(=O)CCOC 1626a_200000211371_100000749529 [0,1,0,0,0,0|3,0,0]=4 6050 B14R0.493 CCCCOCCCNC(=O)CCOC 240690a_200000211371_100000749529 [0,1,0,0,0,0|3,0,0]=4 6051 B14R0.493 CCCCOCCCNC(=O)CCOC 527a_200000211371_100000749529 [0,1,0,0,0,0|3,0,0]=4 6052 B14R0.493 CCCCOCCCNC(=O)CCSC 1626a_200000211371_100000174002 [0,1,0,0,0,0|3,0,0]=4 6053 B14R0.493 CCCCOCCCNC(=O)CCSC 240690a_200000211371_100000174002 [0,1,0,0,0,0|3,0,0]=4 6054 B14R0.493 CCCCOCCCNC(=O)CCSC 527a_200000211371_100000174002 [0,1,0,0,0,0|3,0,0]=4 6055 B14R0.493 CCCCOCCCNC(=O)COCC 1626a_200000211371_100000211967 [0,1,0,0,0,0|2,0,0]=3 6056 B14R0.493 CCCCOCCCNC(=O)COCC 240690a_200000211371_100000211967 [0,1,0,0,0,0|2,0,0]=3 6057 B14R0.493 CCCCOCCCNC(=O)COCC 527a_200000211371_100000211967 [0,1,0,0,0,0|2,0,0]=3 6058 B14R0.493 CCCCOCCCNC(=O)CSCC 1626a_200000211371_100000230394 [0,1,0,0,0,0|2,1,0]=4 6059 B14R0.493 CCCCOCCCNC(=O)CSCC 240690a_200000211371_100000230394 [0,1,0,0,0,0|2,1,0]=4 6060 B14R0.493 CCCCOCCCNC(=O)CSCC 527a_200000211371_100000230394 [0,1,0,0,0,0|2,1,0]=4 6061 B14R0.493 CCCCOCCCNC(=O)NCCC 2708a_100020643023_200000211371 [0,1,0,0,0,0|3,0,0]=4 6062 B14R0.493 CCCCOCCCNC(=O)NCCC 2708a_200000211371_100020643023 [0,1,0,0,0,0|3,0,0]=4 6063 B14R0.493 CCCCOCCCNC(=O)NCCC 273464a_100020643023_200000211371 [0,1,0,0,0,0|3,0,0]=4 6064 B14R0.493 CCCCOCCCNC(=O)NCCC 273464a_200000211371_100020643023 [0,1,0,0,0,0|3,0,0]=4 6065 B14R0.493 CCCCOCCCNC(=O)NCCC 512a_100020643023_200000211371 [0,1,0,0,0,0|3,0,0]=4 6066 B14R0.493 CCCCOCCCNC(=O)NCCC 512a_200000211371_100020643023 [0,1,0,0,0,0|3,0,0]=4 6067 B14R0.493 CCCCOCCCNC(=O)NCCF 2708a_200000211371_100000724931 [0,1,0,0,0,0|3,0,0]=4 6068 B14R0.493 CCCCOCCCNC(=O)NCCF 273464a_100000724931_200000211371 [0,1,0,0,0,0|3,0,0]=4 6069 B14R0.493 CCCCOCCCNC(=O)NCCF 273464a_200000211371_100000724931 [0,1,0,0,0,0|3,0,0]=4 6070 B14R0.493 CCCCOCCCNC(=O)NCCF 512a_200000211371_100000724931 [0,1,0,0,0,0|3,0,0]=4 6071 B14R0.493 CCCCOCCCNC(=O)NCCO 2708a_200000211371_100000210304 [0,1,0,0,0,0|3,0,0]=4 6072 B14R0.493 CCCCOCCCNC(=O)NCCO 273464a_100000210304_200000211371 [0,1,0,0,0,0|3,0,0]=4 6073 B14R0.493 CCCCOCCCNC(=O)NCCO 273464a_200000211371_100000210304 [0,1,0,0,0,0|3,0,0]=4 6074 B14R0.493 CCCCOCCCNC(=O)NCCO 512a_200000211371_100000210304 [0,1,0,0,0,0|3,0,0]=4 6075 B14R0.493 CCCCOCCCNC(=O)NNCC 273464a_200000211371_100000756455 [0,1,0,0,0,0|3,0,0]=4 6076 B14R0.493 CCCCOCCCNC(=O)NNCC 512a_100000756455_200000211371 [0,1,0,0,0,0|3,0,0]=4 6077 B14R0.493 CCCCOCCCNC(=O)NNCC 512a_200000211371_100000756455 [0,1,0,0,0,0|3,0,0]=4 6078 B14R0.493 CCCCOCCNCC(=O)NCCC 2230a_100000174927_100000743108 [0,1,0,0,0,0|3,0,0]=4 6079 B14R0.493 CCCCOCCNCC(=O)NCCF 2230a_100000725713_100000743108 [0,1,0,0,0,0|3,0,0]=4 6080 B14R0.493 CCCCOCCOCC(=O)CCCC 1458a_100011216887_100000210211 [0,1,0,0,0,0|3,0,0]=4 6081 B14R0.493 CCCCOCCOCC(=O)CCCF 1458a_100011216887_100011934791 [0,1,0,0,0,0|3,0,0]=4 6082 B14R0.493 CCCCOCCOCC(=O)CCCO 1458a_100011216887_100011215043 [0,1,0,0,0,0|3,0,0]=4 6083 B14R0.493 CCCCOCCOCC(=O)CCOC 1458a_100011216887_100000233755 [0,1,0,0,0,0|3,0,0]=4 6084 B14R0.493 CCCCOCCOCC(=O)CCSC 1458a_100011216887_100000751147 [0,1,0,0,0,0|3,0,0]=4 6085 B14R0.493 CCCCOCCOCC(=O)NCCC 11a_100020643023_100011216887 [0,1,0,0,0,0|3,0,0]=4 6086 B14R0.493 CCCCOCCOCC(=O)NCCC 1626a_100020643023_100011216887 [0,1,0,0,0,0|3,0,0]=4 6087 B14R0.493 CCCCOCCOCC(=O)NCCC 240690a_100020643023_100011216887 [0,1,0,0,0,0|3,0,0]=4 6088 B14R0.493 CCCCOCCOCC(=O)NCCC 34a_100000210238_100000183358 [0,1,0,0,0,0|3,0,0]=4 6089 B14R0.493 CCCCOCCOCC(=O)NCCC 527a_100020643023_100011216887 [0,1,0,0,0,0|3,0,0]=4 6090 B14R0.493 CCCCOCCOCC(=O)NCCC 7a_100000210238_100000183358 [0,1,0,0,0,0|3,0,0]=4 6091 B14R0.493 CCCCOCCOCC(=O)NCCF 11a_100000724931_100011216887 [0,1,0,0,0,0|3,0,0]=4 6092 B14R0.493 CCCCOCCOCC(=O)NCCF 1626a_100000724931_100011216887 [0,1,0,0,0,0|3,0,0]=4 6093 B14R0.493 CCCCOCCOCC(=O)NCCF 240690a_100000724931_100011216887 [0,1,0,0,0,0|3,0,0]=4 6094 B14R0.493 CCCCOCCOCC(=O)NCCF 527a_100000724931_100011216887 [0,1,0,0,0,0|3,0,0]=4 6095 B14R0.493 CCCCOCCOCC(=O)NCCO 240690a_100000210304_100011216887 [0,1,0,0,0,0|3,0,0]=4 6096 B14R0.493 CCCCOCCOCC(=O)NCCO 527a_100000210304_100011216887 [0,1,0,0,0,0|3,0,0]=4 6097 B14R0.493 CCCCOCCOCC(=O)NNCC 22a_100000756455_100011216887 [0,1,0,0,0,0|3,0,0]=4 6098 B14R0.493 CCCCOCCOCC(=O)OCCC 34a_100000210238_200011215008 [0,1,0,0,0,0|2,0,0]=3 6099 B14R0.493 CCCCOCCOCC(=O)OCCC 7a_100000210238_200011215008 [0,1,0,0,0,0|2,0,0]=3 6100 B14R0.493 CCCCOCCSCC(=O)NCCC 62a_100000183358_100000743108 [0,1,0,0,0,0|3,0,0]=4 6101 B14R0.493 CCCCOCCSCC(=O)NCCC 62a_100000743108_100000183358 [0,1,0,0,0,0|3,0,0]=4 6102 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_100000743108_200011215008 [0,1,0,0,0,0|2,0,0]=3 6103 B14R0.493 CCCCOCCSCC(=O)OCCC 62a_200011215008_100000743108 [0,1,0,0,0,0|2,0,0]=3 6104 B14R0.493 CCCCOCSCOC(=O)OCCC 62a_100011995733_200000139673 [0,1,0,0,0,0|3,0,0]=4 6105 B14R0.493 CCCCSCCNCC(=O)NCCC 2230a_100025743550_100000183358 [0,1,0,0,0,0|3,0,0]=4 6106 B14R0.493 CCCCSCCNCC(=O)OCCC 2230a_100025743550_200011215008 [0,1,0,0,0,0|2,0,0]=3 6107 B14R0.493 CCCCSCCOCC(=O)NCCC 34a_200000230436_100000183358 [0,1,0,0,0,0|3,0,0]=4 6108 B14R0.493 CCCCSCCOCC(=O)NCCC 7a_200000230436_100000183358 [0,1,0,0,0,0|3,0,0]=4 6109 B14R0.493 CCCCSCCOCC(=O)OCCC 34a_200000230436_200011215008 [0,1,0,0,0,0|2,0,0]=3 6110 B14R0.493 CCCCSCCOCC(=O)OCCC 7a_200000230436_200011215008 [0,1,0,0,0,0|2,0,0]=3 6111 B14R0.493 CCCNC(=O)CCCCCCCCO 240690a_100020643023_100000015970 [0,1,0,0,0,0|2,0,0]=3 6112 B14R0.493 CCCNC(=O)CCCNCCCCO 2230a_100000750430_100011194427 [0,1,0,0,0,0|3,0,0]=4 6113 B14R0.493 CCCNC(=O)CCCNCCCSC 2230a_100000749238_100011194427 [0,1,0,0,0,0|3,0,0]=4 6114 B14R0.493 CCCNC(=O)CCCNCCOCC 2230a_102516460346_100011194427 [0,1,0,0,0,0|3,0,0]=4 6115 B14R0.493 CCCNC(=O)CCCNCCSCC 2230a_100000106463_100011194427 [0,1,0,0,0,0|3,0,0]=4 6116 B14R0.493 CCCNC(=O)CCCOCCCCCl 7a_100000210776_100011194427 [0,1,0,0,0,0|3,0,0]=4 6117 B14R0.493 CCCNC(=O)CCCOCCCCF 7a_100011995726_100011194427 [0,1,0,0,0,0|3,0,0]=4 6118 B14R0.493 CCCNC(=O)CCCOCCCSC 7a_100000690336_100011194427 [0,1,0,0,0,0|3,0,0]=4 6119 B14R0.493 CCCNC(=O)CCCOCCOCC 7a_100000210136_100011194427 [0,1,0,0,0,0|3,0,0]=4 6120 B14R0.493 CCCNC(=O)CCCOCCSCC 7a_100000212035_100011194427 [0,1,0,0,0,0|3,0,0]=4 6121 B14R0.493 CCCNC(=O)CCCSCCCCF 62a_100000729493_100011194427 [0,1,0,0,0,0|3,0,0]=4 6122 B14R0.493 CCCNC(=O)CCCSCCCCF 62a_100011194427_100000729493 [0,1,0,0,0,0|3,0,0]=4 6123 B14R0.493 CCCNC(=O)CCCSCCCCO 62a_100000210776_100011194427 [0,1,0,0,0,0|3,0,0]=4 6124 B14R0.493 CCCNC(=O)CCCSCCCCO 62a_100011194427_100000210776 [0,1,0,0,0,0|3,0,0]=4 6125 B14R0.493 CCCNC(=O)CCCSCCCOC 62a_100000709357_100011194427 [0,1,0,0,0,0|3,0,0]=4 6126 B14R0.493 CCCNC(=O)CCCSCCCOC 62a_100011194427_100000709357 [0,1,0,0,0,0|3,0,0]=4 6127 B14R0.493 CCCNC(=O)CCCSCCOCC 62a_100000210147_100011194427 [0,1,0,0,0,0|3,0,0]=4 6128 B14R0.493 CCCNC(=O)CCCSCCOCC 62a_100011194427_100011215890 [0,1,0,0,0,0|3,0,0]=4 6129 B14R0.493 CCCNC(=O)CCCSCCSCC 62a_100000757381_100011194427 [0,1,0,0,0,0|3,0,0]=4 6130 B14R0.493 CCCNC(=O)CCCSCCSCC 62a_100011194427_100000757381 [0,1,0,0,0,0|3,0,0]=4 6131 B14R0.493 CCCNC(=O)CNCCCCCCF 2230a_100000174927_100015922095 [0,1,0,0,0,0|3,0,0]=4 6132 B14R0.493 CCCNC(=O)CNCCCCCCO 2230a_100000174927_100000766143 [0,1,0,0,0,0|3,0,0]=4 6133 B14R0.493 CCCNC(=O)CNCCCCCCO 2230a_100000686447_100000183358 [0,1,0,0,0,0|3,0,0]=4 6134 B14R0.493 CCCNC(=O)CNCCCCCCO 34a_100000686447_100000183358 [0,1,0,0,0,0|3,0,0]=4 6135 B14R0.493 CCCNC(=O)CNCCCCCOC 2230a_100000747528_100000183358 [0,1,0,0,0,0|3,0,0]=4 6136 B14R0.493 CCCNC(=O)CNCCCCCOC 34a_100000747528_100000183358 [0,1,0,0,0,0|3,0,0]=4 6137 B14R0.493 CCCNC(=O)CNCCCOCCC 2230a_100011217757_100000183358 [0,1,0,0,0,0|3,0,0]=4 6138 B14R0.493 CCCNC(=O)CNCCCOCCC 34a_100011217757_100000183358 [0,1,0,0,0,0|3,0,0]=4 6139 B14R0.493 CCCNC(=O)COCCCCCCBr 34a_100011215345_100000183358 [0,1,0,0,0,0|3,0,0]=4 6140 B14R0.493 CCCNC(=O)COCCCCCCBr 7a_100011215345_100000183358 [0,1,0,0,0,0|3,0,0]=4 6141 B14R0.493 CCCNC(=O)COCCCCCCCl 34a_100000766143_100000183358 [0,1,0,0,0,0|3,0,0]=4 6142 B14R0.493 CCCNC(=O)COCCCCCCCl 7a_100000766143_100000183358 [0,1,0,0,0,0|3,0,0]=4 6143 B14R0.493 CCCNC(=O)COCCCCCCF 34a_100000732779_100000183358 [0,1,0,0,0,0|3,0,0]=4 6144 B14R0.493 CCCNC(=O)COCCCCCCF 7a_100000732779_100000183358 [0,1,0,0,0,0|3,0,0]=4 6145 B14R0.493 CCCNC(=O)COCCCCCCN 34a_100000686447_100000183358 [0,1,0,0,0,0|3,0,0]=4 6146 B14R0.493 CCCNC(=O)COCCCCCNC 34a_100000722520_100000183358 [0,1,0,0,0,0|3,0,0]=4 6147 B14R0.493 CCCNC(=O)CSCCCCCCF 62a_100000183358_100015922095 [0,1,0,0,0,0|3,0,0]=4 6148 B14R0.493 CCCNC(=O)CSCCCCCCF 62a_100015922095_100000183358 [0,1,0,0,0,0|3,0,0]=4 6149 B14R0.493 CCCNC(=O)CSCCCCCCO 62a_100000183358_100000766143 [0,1,0,0,0,0|3,0,0]=4 6150 B14R0.493 CCCNC(=O)CSCCCCCCO 62a_100000766143_100000183358 [0,1,0,0,0,0|3,0,0]=4 6151 B14R0.493 CCCNC(=O)NCCCCCCCO 2708a_100011996573_100020643023 [0,1,0,0,0,0|3,0,0]=4 6152 B14R0.493 CCCNC(=O)NCCCCCCCO 2708a_100020643023_100011996573 [0,1,0,0,0,0|3,0,0]=4 6153 B14R0.493 CCCNC(=O)NCCCCCCCO 273464a_100011996573_100020643023 [0,1,0,0,0,0|3,0,0]=4 6154 B14R0.493 CCCNC(=O)NCCCCCCCO 273464a_100020643023_100011996573 [0,1,0,0,0,0|3,0,0]=4 6155 B14R0.493 CCCNC(=O)NCCCCCCCO 512a_100011996573_100020643023 [0,1,0,0,0,0|3,0,0]=4 6156 B14R0.493 CCCNC(=O)NCCCCCCCO 512a_100020643023_100011996573 [0,1,0,0,0,0|3,0,0]=4 6157 B14R0.493 CCCOC(=O)CNCCCCCCO 2230a_100000686447_200011215008 [0,1,0,0,0,0|2,0,0]=3 6158 B14R0.493 CCCOC(=O)CNCCCCCCO 34a_100000686447_200011215008 [0,1,0,0,0,0|2,0,0]=3 6159 B14R0.493 CCCOC(=O)CNCCCCCOC 2230a_100000747528_200011215008 [0,1,0,0,0,0|2,0,0]=3 6160 B14R0.493 CCCOC(=O)CNCCCCCOC 34a_100000747528_200011215008 [0,1,0,0,0,0|2,0,0]=3 6161 B14R0.493 CCCOC(=O)CNCCOCCOC 2230a_100000745349_200011215008 [0,1,0,0,0,0|3,0,0]=4 6162 B14R0.493 CCCOC(=O)CNCCOCCOC 34a_100000745349_200011215008 [0,1,0,0,0,0|3,0,0]=4 6163 B14R0.493 CCCOC(=O)COCCCCCCBr 34a_100011215345_200011215008 [0,1,0,0,0,0|2,0,0]=3 6164 B14R0.493 CCCOC(=O)COCCCCCCBr 7a_100011215345_200011215008 [0,1,0,0,0,0|2,0,0]=3 6165 B14R0.493 CCCOC(=O)COCCCCCCCl 34a_100000766143_200011215008 [0,1,0,0,0,0|2,0,0]=3 6166 B14R0.493 CCCOC(=O)COCCCCCCCl 7a_100000766143_200011215008 [0,1,0,0,0,0|2,0,0]=3 6167 B14R0.493 CCCOC(=O)COCCCCCCF 34a_100000732779_200011215008 [0,1,0,0,0,0|2,0,0]=3 6168 B14R0.493 CCCOC(=O)COCCCCCCF 7a_100000732779_200011215008 [0,1,0,0,0,0|2,0,0]=3 6169 B14R0.493 CCCOC(=O)COCCCCCCN 34a_100000686447_200011215008 [0,1,0,0,0,0|2,0,0]=3 6170 B14R0.493 CCCOC(=O)COCCCCCNC 34a_100000722520_200011215008 [0,1,0,0,0,0|2,0,0]=3 6171 B14R0.493 CCCOC(=O)COCCOCCNC 34a_100000228057_200011215008 [0,1,0,0,0,0|3,0,0]=4 6172 B14R0.493 CCCOC(=O)COCCOCCOC 34a_100011215163_200011215008 [0,1,0,0,0,0|3,0,0]=4 6173 B14R0.493 CCCOC(=O)COCCOCCOC 7a_100011215163_200011215008 [0,1,0,0,0,0|3,0,0]=4 6174 B14R0.493 CCCOC(=O)CSCCCCCC#N 62a_100009813376_200011215008 [0,1,0,0,0,0|2,0,1]=4 6175 B14R0.493 CCCOC(=O)CSCCCCCC#N 62a_200011215008_100009813376 [0,1,0,0,0,0|2,0,1]=4 6176 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_100000139337_200011215008 [0,1,0,0,0,0|2,0,1]=4 6177 B14R0.493 CCCOC(=O)CSCCCCCC=O 62a_200011215008_100000139337 [0,1,0,0,0,0|2,0,1]=4 6178 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_100015922095_200011215008 [0,1,0,0,0,0|2,0,0]=3 6179 B14R0.493 CCCOC(=O)CSCCCCCCF 62a_200011215008_100015922095 [0,1,0,0,0,0|2,0,0]=3 6180 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_100000766143_200011215008 [0,1,0,0,0,0|2,0,0]=3 6181 B14R0.493 CCCOC(=O)CSCCCCCCO 62a_200011215008_100000766143 [0,1,0,0,0,0|2,0,0]=3 6182 B14R0.493 CCCOC(=O)CSCCOCCOC 62a_100000695917_200011215008 [0,1,0,0,0,0|3,0,0]=4 6183 B14R0.493 CCCOC(=O)CSCCOCCOC 62a_200011215008_100000695917 [0,1,0,0,0,0|3,0,0]=4 6184 B14R0.493 CCCOC(=O)OCNCCCCCO 34a_100000762737_200000139673 [0,1,0,0,0,0|3,0,0]=4 6185 B14R0.493 CCCOC(=O)OCNCCCOCC 34a_100000210961_200000139673 [0,1,0,0,0,0|3,0,0]=4 6186 B14R0.493 CCCOC(=O)OCOCCCCCBr 34a_100000746331_200000139673 [0,1,0,0,0,0|3,0,0]=4 6187 B14R0.493 CCCOC(=O)OCOCCCCCBr 7a_100000746331_200000139673 [0,1,0,0,0,0|3,0,0]=4 6188 B14R0.493 CCCOC(=O)OCOCCCCCCl 34a_100000746330_200000139673 [0,1,0,0,0,0|3,0,0]=4 6189 B14R0.493 CCCOC(=O)OCOCCCCCCl 7a_100000746330_200000139673 [0,1,0,0,0,0|3,0,0]=4 6190 B14R0.493 CCCOC(=O)OCOCCCCCI 34a_200012148887_200000139673 [0,1,0,0,0,0|3,0,0]=4 6191 B14R0.493 CCCOC(=O)OCOCCCCCI 7a_200012148887_200000139673 [0,1,0,0,0,0|3,0,0]=4 6192 B14R0.493 CCCOC(=O)OCOCCCCCN 34a_100000762737_200000139673 [0,1,0,0,0,0|3,0,0]=4 6193 B14R0.493 CCCOC(=O)OCOCCCCOC 34a_100000740925_200000139673 [0,1,0,0,0,0|3,0,0]=4 6194 B14R0.493 CCCOC(=O)OCOCCCCSC 34a_100011217163_200000139673 [0,1,0,0,0,0|3,0,0]=4 6195 B14R0.493 CCCOC(=O)OCOCCCCSC 7a_100011217163_200000139673 [0,1,0,0,0,0|3,0,0]=4 6196 B14R0.493 CCCOC(=O)OCOCCCOCC 34a_100000757476_200000139673 [0,1,0,0,0,0|3,0,0]=4 6197 B14R0.493 CCCOC(=O)OCOCCCOCC 7a_100000757476_200000139673 [0,1,0,0,0,0|3,0,0]=4 6198 B14R0.493 CCCOC(=O)OCOCCCSCC 34a_100011216438_200000139673 [0,1,0,0,0,0|3,0,0]=4 6199 B14R0.493 CCCOC(=O)OCOCCCSCC 7a_100011216438_200000139673 [0,1,0,0,0,0|3,0,0]=4 6200 B14R0.493 CCCOC(=O)OCOCCSCCC 34a_200000230433_200000139673 [0,1,0,0,0,0|3,0,0]=4 6201 B14R0.493 CCCOC(=O)OCOCCSCCC 7a_200000230433_200000139673 [0,1,0,0,0,0|3,0,0]=4 6202 B14R0.493 CCCOC(=O)OCSCCCCCF 62a_100000729378_200000139673 [0,1,0,0,0,0|3,0,0]=4 6203 B14R0.493 CCCOC(=O)OCSCCCCCO 62a_100000746330_200000139673 [0,1,0,0,0,0|3,0,0]=4 6204 B14R0.493 CCCOC(=O)OCSCCCCOC 62a_100000730899_200000139673 [0,1,0,0,0,0|3,0,0]=4 6205 B14R0.493 CCCOC(=O)OCSCCCOCC 62a_100012232248_200000139673 [0,1,0,0,0,0|3,0,0]=4 6206 B14R0.493 CCCOCCCNCC(=O)OCCC 2230a_100011217757_200011215008 [0,1,0,0,0,0|2,0,0]=3 6207 B14R0.493 CCCOCCCNCC(=O)OCCC 34a_100011217757_200011215008 [0,1,0,0,0,0|2,0,0]=3 6208 B14R0.493 CCCOCCNCOC(=O)OCCC 34a_100161115042_200000139673 [0,1,0,0,0,0|3,0,0]=4 6209 B14R0.493 CCCOCCOCOC(=O)OCCC 34a_100000752267_200000139673 [0,1,0,0,0,0|3,0,0]=4 6210 B14R0.493 CCCOCCOCOC(=O)OCCC 7a_100000752267_200000139673 [0,1,0,0,0,0|3,0,0]=4 6211 B14R0.493 CCCOCCSCOC(=O)OCCC 62a_100011215938_200000139673 [0,1,0,0,0,0|3,0,0]=4 6212 B14R0.493 CCNNC(=O)CCCCCCCCO 22a_100000756455_100000015970 [0,1,0,0,0,0|2,0,0]=3 6213 B14R0.493 CCNNC(=O)NCCCCCCCO 273464a_100011996573_100000756455 [0,1,0,0,0,0|3,0,0]=4 6214 B14R0.493 CCNNC(=O)NCCCCCCCO 512a_100000756455_100011996573 [0,1,0,0,0,0|3,0,0]=4 6215 B14R0.493 CCNNC(=O)NCCCCCCCO 512a_100011996573_100000756455 [0,1,0,0,0,0|3,0,0]=4 6216 B14R0.493 CCOCC(=O)CCCCCCCCO 1458a_100000211967_100000033203 [0,1,0,0,0,0|1,0,0]=2 6217 B14R0.493 CCOCC(=O)CCOCCOCCO 1458a_100000211967_100000032323 [0,1,0,0,0,0|3,0,0]=4 6218 B14R0.493 CCOCC(=O)NCCCCCCCO 240690a_100011996573_100000211967 [0,1,0,0,0,0|2,0,0]=3 6219 B14R0.493 CCOCC(=O)NCCCOCCCO 240690a_100011310245_100000211967 [0,1,0,0,0,0|3,0,0]=4 6220 B14R0.493 CCOCC(=O)NCCCOCCOC 1626a_100000206027_100000211967 [0,1,0,0,0,0|3,0,0]=4 6221 B14R0.493 CCOCC(=O)NCCCOCCOC 240690a_100000206027_100000211967 [0,1,0,0,0,0|3,0,0]=4 6222 B14R0.493 CCOCCOCCNC(=O)COCC 11a_100102712874_100000211967 [0,1,0,0,0,0|3,0,0]=4 6223 B14R0.493 CCOCCOCCNC(=O)COCC 1626a_100102712874_100000211967 [0,1,0,0,0,0|3,0,0]=4 6224 B14R0.493 CCOCCOCCNC(=O)COCC 240690a_100102712874_100000211967 [0,1,0,0,0,0|3,0,0]=4 6225 B14R0.493 CCOCCOCCNC(=O)COCC 527a_100102712874_100000211967 [0,1,0,0,0,0|3,0,0]=4 6226 B14R0.493 CCSCC(=O)CCCCCCCCO 1458a_100000230394_100000033203 [0,1,0,0,0,0|1,1,0]=3 6227 B14R0.493 CCSCC(=O)NCCCCCCCO 240690a_100011996573_100000230394 [0,1,0,0,0,0|2,1,0]=4 6228 B14R0.493 COC=CC(=O)CCCCCCCCO 1458a_100016268678_100000033203 [0,1,0,0,0,0|2,0,1]=4 6229 B14R0.493 COCCC(=O)CCCCCCCCO 1458a_100000749529_100000033203 [0,1,0,0,0,0|2,0,0]=3 6230 B14R0.493 COCCC(=O)NCCCCCCCO 240690a_100011996573_100000749529 [0,1,0,0,0,0|3,0,0]=4 6231 B14R0.493 CSCCC(=O)CCCCCCCCO 1458a_100000174002_100000033203 [0,1,0,0,0,0|2,0,0]=3 6232 B14R0.493 CSCCC(=O)NCCCCCCCO 240690a_100011996573_100000174002 [0,1,0,0,0,0|3,0,0]=4 6233 B14R0.493 N#CCCC(=O)CCCCCCCCO 1458a_100011934036_100000033203 [0,1,0,0,0,0|2,0,1]=4 6234 B14R0.493 O=C(C#CCO)CCCCCCCCO 1458a_100000049017_100000033203 [0,1,0,0,0,0|2,0,1]=4 6235 B14R0.493 O=C(CCCCCCCCO)NCCF 240690a_100000724931_100000015970 [0,1,0,0,0,0|2,0,0]=3 6236 B14R0.493 O=C(CCCCCCCCO)NCCO 240690a_100000210304_100000015970 [0,1,0,0,0,0|2,0,0]=3 6237 B14R0.493 O=C(CNCCCCCCF)NCCF 2230a_100000725713_100015922095 [0,1,0,0,0,0|3,0,0]=4 6238 B14R0.493 O=C(CNCCCCCCO)NCCF 2230a_100000725713_100000766143 [0,1,0,0,0,0|3,0,0]=4 6239 B14R0.493 O=C(NCCF)NCCCCCCCO 2708a_100011996573_100000724931 [0,1,0,0,0,0|3,0,0]=4 6240 B14R0.493 O=C(NCCF)NCCCCCCCO 273464a_100000724931_100011996573 [0,1,0,0,0,0|3,0,0]=4 6241 B14R0.493 O=C(NCCF)NCCCCCCCO 273464a_100011996573_100000724931 [0,1,0,0,0,0|3,0,0]=4 6242 B14R0.493 O=C(NCCF)NCCCCCCCO 512a_100011996573_100000724931 [0,1,0,0,0,0|3,0,0]=4 6243 B14R0.493 O=C(NCCO)NCCCCCCCO 2708a_100011996573_100000210304 [0,1,0,0,0,0|3,0,0]=4 6244 B14R0.493 O=C(NCCO)NCCCCCCCO 273464a_100000210304_100011996573 [0,1,0,0,0,0|3,0,0]=4 6245 B14R0.493 O=C(NCCO)NCCCCCCCO 273464a_100011996573_100000210304 [0,1,0,0,0,0|3,0,0]=4 6246 B14R0.493 O=C(NCCO)NCCCCCCCO 512a_100011996573_100000210304 [0,1,0,0,0,0|3,0,0]=4 6247 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 270084a_100000229939_100000211391 [0,1,0,0,0,0|3,0,0]=4 6248 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 274078a_100000229939_100000211391 [0,1,0,0,0,0|3,0,0]=4 6249 B14R0.1390 CCCCCCCCNS(=O)(=O)CCC 40a_100000229939_100000054278 [0,1,0,0,0,0|3,0,0]=4 6250 B14R0.1390 CCCCCCCSC[Si](C)(C)OCC 62a_100000210614_200000065227 [0,1,0,0,0,0|2,1,0]=4 6251 B14R0.1390 CCCCCCCSC[Si](C)(C)OCC 62a_200000065227_100000210316 [0,1,0,0,0,0|2,1,0]=4 6252 B14R0.1390 CCCCCNCCC[Si](C)(C)OCC 2230a_100000209983_100000070546 [0,1,0,0,0,0|2,1,0]=4 6253 B14R0.1390 CCCCCOCCC[Si](C)(C)OCC 34a_100000210253_100000070546 [0,1,0,0,0,0|2,1,0]=4 6254 B14R0.1390 CCCCCOCCC[Si](C)(C)OCC 7a_100000210253_100000070546 [0,1,0,0,0,0|2,1,0]=4 6255 B14R0.1390 CCCCCSCCC[Si](C)(C)OCC 62a_100000070546_100000210326 [0,1,0,0,0,0|2,1,0]=4 6256 B14R0.1390 CCCCCSCCC[Si](C)(C)OCC 62a_100000210326_100000070546 [0,1,0,0,0,0|2,1,0]=4 6257 B14R0.2432 C#CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000731252 [0,1,0,0,0,0|0,0,3]=4 6258 B14R0.2432 C#CCCCC(=O)CCCC(=O)OCC 1458a_100000690238_100011215271 [0,1,0,0,0,0|0,0,3]=4 6259 B14R0.2432 C=CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000757094 [0,1,0,0,0,0|0,0,3]=4 6260 B14R0.2432 C=CCCCC(=O)CCCC(=O)OCC 1458a_100000766728_100011215271 [0,1,0,0,0,0|0,0,3]=4 6261 B14R0.2432 CC/C=C/CC(=O)CCCC(=O)OCC 1458a_100016274230_100011215271 [0,1,0,0,0,0|0,0,3]=4 6262 B14R0.2432 CC/C=C\CC(=O)CCCC(=O)OCC 1458a_100000210991_100103147603 [0,1,0,0,0,0|0,0,3]=4 6263 B14R0.2432 CCC#CCC(=O)CCCC(=O)OCC 1458a_100000210991_100009813939 [0,1,0,0,0,0|0,0,3]=4 6264 B14R0.2432 CCC#CCC(C)OCCC(=O)OCC 34a_200000035118_100000765890 [0,1,0,0,0,0|1,0,2]=4 6265 B14R0.2432 CCC#CCC(C)OCCC(=O)OCC 7a_200000035118_100011206558 [0,1,0,0,0,0|1,0,2]=4 6266 B14R0.2432 CCCC#CC(=O)CCCC(=O)OCC 1458a_200011218047_100011215271 [0,1,0,0,0,0|0,0,3]=4 6267 B14R0.2432 CCCC=CC(=O)CCCC(=O)OCC 1458a_100000212230_100011215271 [0,1,0,0,0,0|0,0,3]=4 6268 B14R0.2432 CCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210326 [0,1,0,0,0,0|1,0,1]=3 6269 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210326 [0,1,0,0,0,0|0,0,1]=2 6270 B14R0.2432 CCCCCC(=O)CCCC(=O)OCC 1458a_100000212188_100011215271 [0,1,0,0,0,0|0,0,1]=2 6271 B14R0.2432 CCCCCC(=O)CCNC(=O)OCC 1458a_100000212188_200011445536 [0,1,0,0,0,0|1,0,1]=3 6272 B14R0.2432 CCCCCC(=O)CNCC(=O)NCC 2230a_100016988866_200012276598 [0,1,0,0,0,0|2,0,1]=4 6273 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_100000747444_200012276598 [0,1,0,0,0,0|2,0,1]=4 6274 B14R0.2432 CCCCCC(=O)CSCC(=O)CCC 62a_200012276598_100000747444 [0,1,0,0,0,0|2,0,1]=4 6275 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_100000183381_200012276598 [0,1,0,0,0,0|2,0,1]=4 6276 B14R0.2432 CCCCCC(=O)CSCC(=O)NCC 62a_200012276598_100000183381 [0,1,0,0,0,0|2,0,1]=4 6277 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_100000188475_200012276598 [0,1,0,0,0,0|1,0,1]=3 6278 B14R0.2432 CCCCCC(=O)CSCC(=O)OCC 62a_200012276598_100000188475 [0,1,0,0,0,0|1,0,1]=3 6279 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100000212188 [0,1,0,0,0,0|2,0,1]=4 6280 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100000212188 [0,1,0,0,0,0|2,0,1]=4 6281 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100000212188 [0,1,0,0,0,0|2,0,1]=4 6282 B14R0.2432 CCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100000212188 [0,1,0,0,0,0|2,0,1]=4 6283 B14R0.2432 CCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000212188 [0,1,0,0,0,0|1,0,1]=3 6284 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 2230a_100000211957_100000737597 [0,1,0,0,0,0|2,0,0]=3 6285 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000211708 [0,1,0,0,0,0|2,0,0]=3 6286 B14R0.2432 CCCCCC(C)NCCC(=O)NCC 34a_100025743525_200011218191 [0,1,0,0,0,0|2,0,0]=3 6287 B14R0.2432 CCCCCC(C)NCCC(=O)OCC 2230a_100000211957_100011206558 [0,1,0,0,0,0|1,0,0]=2 6288 B14R0.2432 CCCCCC(C)NCOC(=O)CCC 2230a_100000211957_100000034017 [0,1,0,0,0,0|3,0,0]=4 6289 B14R0.2432 CCCCCC(C)OCCC(=O)NCC 7a_100011215632_100000737597 [0,1,0,0,0,0|2,0,0]=3 6290 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 34a_100011215632_100000765890 [0,1,0,0,0,0|1,0,0]=2 6291 B14R0.2432 CCCCCC(C)OCCC(=O)OCC 7a_100011215632_100011206558 [0,1,0,0,0,0|1,0,0]=2 6292 B14R0.2432 CCCCCC(C)OCOC(=O)CCC 34a_100011215632_100000034017 [0,1,0,0,0,0|3,0,0]=4 6293 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_100000737597_200011218191 [0,1,0,0,0,0|2,0,0]=3 6294 B14R0.2432 CCCCCC(C)SCCC(=O)NCC 62a_200011218191_100000737597 [0,1,0,0,0,0|2,0,0]=3 6295 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_100000765890_200011218191 [0,1,0,0,0,0|1,0,0]=2 6296 B14R0.2432 CCCCCC(C)SCCC(=O)OCC 62a_200011218191_100000765890 [0,1,0,0,0,0|1,0,0]=2 6297 B14R0.2432 CCCCCC(C)SCOC(=O)CCC 62a_200011218191_100000034017 [0,1,0,0,0,0|3,0,0]=4 6298 B14R0.2432 CCCCCC(C)SCOC(=O)OCC 62a_200011218191_100000075025 [0,1,0,0,0,0|2,0,0]=3 6299 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 240690a_100015525214_100020618878 [0,1,0,0,0,0|1,0,0]=2 6300 B14R0.2432 CCCCCC(O)CCCC(=O)NCC 527a_100015525214_100020618878 [0,1,0,0,0,0|1,0,0]=2 6301 B14R0.2432 CCCCCC(O)CCCC(=O)NNC 22a_100016993582_100020618878 [0,1,0,0,0,0|2,0,0]=3 6302 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 2230a_100000223495_100016267167 [0,1,0,0,0,0|1,0,2]=4 6303 B14R0.2432 CCCCCN(C)C/C=C/C(=O)OCC 269982a_100000223495_100016267167 [0,1,0,0,0,0|1,0,2]=4 6304 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 2230a_100000223495_100009991533 [0,1,0,0,0,0|1,0,0]=2 6305 B14R0.2432 CCCCCN(C)CCCC(=O)OCC 269982a_100000223495_100009991533 [0,1,0,0,0,0|1,0,0]=2 6306 B14R0.2432 CCCCCN(C)CCNC(=O)OCC 269982a_100000223495_200011445536 [0,1,0,0,0,0|2,0,0]=3 6307 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 11a_100000102301_100000199580 [0,1,0,0,0,0|2,0,1]=4 6308 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 1626a_100000102301_100000199580 [0,1,0,0,0,0|2,0,1]=4 6309 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 240690a_100000102301_100000199580 [0,1,0,0,0,0|2,0,1]=4 6310 B14R0.2432 CCCCNC(=O)CCCC(=O)NCC 527a_100000102301_100000199580 [0,1,0,0,0,0|2,0,1]=4 6311 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 11a_100000102301_100000210991 [0,1,0,0,0,0|1,0,1]=3 6312 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 1626a_100000102301_100000210991 [0,1,0,0,0,0|1,0,1]=3 6313 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 240690a_100000102301_100000210991 [0,1,0,0,0,0|1,0,1]=3 6314 B14R0.2432 CCCCNC(=O)CCCC(=O)OCC 527a_100000102301_100000210991 [0,1,0,0,0,0|1,0,1]=3 6315 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000182744_100000188475 [0,1,0,0,0,0|2,0,1]=4 6316 B14R0.2432 CCCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000182744 [0,1,0,0,0,0|2,0,1]=4 6317 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000188475_100000211628 [0,1,0,0,0,0|2,0,1]=4 6318 B14R0.2432 CCCCOC(=O)CSCC(=O)OCC 62a_100000211628_100000188475 [0,1,0,0,0,0|2,0,1]=4 6319 B14R0.2432 CCCNN=C(C)CCCC(=O)OCC 4a_100000740057_100000032325 [0,1,0,0,0,0|2,0,1]=4 6320 B14R0.2432 CCCNNC(=O)CCCC(=O)OCC 22a_100000740057_100000210991 [0,1,0,0,0,0|2,0,1]=4 6321 B14R0.2432 CCCOCC(=O)CCCC(=O)OCC 1458a_100000745993_100011215271 [0,1,0,0,0,0|1,0,1]=3 6322 B14R0.2432 CCCOCC(=O)CCNC(=O)OCC 1458a_100000745993_200011445536 [0,1,0,0,0,0|2,0,1]=4 6323 B14R0.2432 CCCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000745993 [0,1,0,0,0,0|2,0,1]=4 6324 B14R0.2432 CCCSCC(=O)CCCC(=O)OCC 1458a_100000217233_100011215271 [0,1,0,0,0,0|1,0,1]=3 6325 B14R0.2432 CCCSCC(=O)CCNC(=O)OCC 1458a_100000217233_200011445536 [0,1,0,0,0,0|2,0,1]=4 6326 B14R0.2432 CCCSCC(=O)NCCC(=O)OCC 188690a_100000746078_100000217233 [0,1,0,0,0,0|2,0,1]=4 6327 B14R0.2432 CCCSCC(C)NCCC(=O)NCC 270004a_100025743525_100011343953 [0,1,0,0,0,0|3,0,0]=4 6328 B14R0.2432 CCNC(=O)CCCC(=O)CCCCF 1458a_100000199580_100000729493 [0,1,0,0,0,0|2,0,1]=4 6329 B14R0.2432 CCNC(=O)CCCC(=O)CCCCO 1458a_100000199580_100000210776 [0,1,0,0,0,0|2,0,1]=4 6330 B14R0.2432 CCNC(=O)CCCC(=O)CCCOC 1458a_100000199580_100000740836 [0,1,0,0,0,0|2,0,1]=4 6331 B14R0.2432 CCNC(=O)CCCC(=O)CCOCC 1458a_100000199580_100011215890 [0,1,0,0,0,0|2,0,1]=4 6332 B14R0.2432 CCNC(=O)CCCC(=O)CCSCC 1458a_100000199580_100000757381 [0,1,0,0,0,0|2,0,1]=4 6333 B14R0.2432 CCNC(=O)CCNC(C)CCCSC 270004a_100025743525_100011399439 [0,1,0,0,0,0|3,0,0]=4 6334 B14R0.2432 CCNC(=O)CCNC(C)CCOCC 270004a_100025743525_200011216536 [0,1,0,0,0,0|3,0,0]=4 6335 B14R0.2432 CCNC(=O)CCOC(C)CCCOC 7a_200011539412_100000737597 [0,1,0,0,0,0|3,0,0]=4 6336 B14R0.2432 CCNC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000183381 [0,1,0,0,0,0|3,0,0]=4 6337 B14R0.2432 CCOC(=O)CCCC(=O)CCCC#N 1458a_100000075515_100011215271 [0,1,0,0,0,0|1,0,2]=4 6338 B14R0.2432 CCOC(=O)CCCC(=O)CCCC#N 1458a_100000210991_100000211468 [0,1,0,0,0,0|1,0,2]=4 6339 B14R0.2432 CCOC(=O)CCCC(=O)CCCCF 1458a_100000210991_100000729493 [0,1,0,0,0,0|1,0,1]=3 6340 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000210991_100000210776 [0,1,0,0,0,0|1,0,1]=3 6341 B14R0.2432 CCOC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215271 [0,1,0,0,0,0|1,0,1]=3 6342 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000210991_100000740836 [0,1,0,0,0,0|1,0,1]=3 6343 B14R0.2432 CCOC(=O)CCCC(=O)CCCOC 1458a_100000741012_100011215271 [0,1,0,0,0,0|1,0,1]=3 6344 B14R0.2432 CCOC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011215271 [0,1,0,0,0,0|1,0,1]=3 6345 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000210991_100000757381 [0,1,0,0,0,0|1,0,1]=3 6346 B14R0.2432 CCOC(=O)CCCC(=O)CCSCC 1458a_100000230768_100011215271 [0,1,0,0,0,0|1,0,1]=3 6347 B14R0.2432 CCOC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215271 [0,1,0,0,0,0|2,0,1]=4 6348 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 11a_100015189416_100000210991 [0,1,0,0,0,0|2,0,1]=4 6349 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 1626a_100015189416_100000210991 [0,1,0,0,0,0|2,0,1]=4 6350 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 240690a_100015189416_100000210991 [0,1,0,0,0,0|2,0,1]=4 6351 B14R0.2432 CCOC(=O)CCCC(=O)NCCCF 527a_100015189416_100000210991 [0,1,0,0,0,0|2,0,1]=4 6352 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 240690a_100000182051_100000210991 [0,1,0,0,0,0|2,0,1]=4 6353 B14R0.2432 CCOC(=O)CCCC(=O)NCCCO 527a_100000182051_100000210991 [0,1,0,0,0,0|2,0,1]=4 6354 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 1626a_100000209980_100000210991 [0,1,0,0,0,0|2,0,1]=4 6355 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 240690a_100000209980_100000210991 [0,1,0,0,0,0|2,0,1]=4 6356 B14R0.2432 CCOC(=O)CCCC(=O)NCCOC 527a_100000209980_100000210991 [0,1,0,0,0,0|2,0,1]=4 6357 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 11a_100020590264_100000210991 [0,1,0,0,0,0|2,0,1]=4 6358 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 1626a_100020590264_100000210991 [0,1,0,0,0,0|2,0,1]=4 6359 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 240690a_100020590264_100000210991 [0,1,0,0,0,0|2,0,1]=4 6360 B14R0.2432 CCOC(=O)CCCC(=O)NCCSC 527a_100020590264_100000210991 [0,1,0,0,0,0|2,0,1]=4 6361 B14R0.2432 CCOC(=O)CCCN(C)CCCCO 2230a_100000717598_100009991533 [0,1,0,0,0,0|2,0,0]=3 6362 B14R0.2432 CCOC(=O)CCCN(C)CCCCO 269982a_100000717598_100009991533 [0,1,0,0,0,0|2,0,0]=3 6363 B14R0.2432 CCOC(=O)CCCN(C)CCCOC 2230a_100000224831_100009991533 [0,1,0,0,0,0|2,0,0]=3 6364 B14R0.2432 CCOC(=O)CCCN(C)CCCOC 269982a_100000224831_100009991533 [0,1,0,0,0,0|2,0,0]=3 6365 B14R0.2432 CCOC(=O)CCNC(=O)CCCCO 188690a_100000746078_100000695505 [0,1,0,0,0,0|2,0,1]=4 6366 B14R0.2432 CCOC(=O)CCNC(=O)CCCOC 188690a_100000746078_100000741012 [0,1,0,0,0,0|2,0,1]=4 6367 B14R0.2432 CCOC(=O)CCNC(=O)CCCSC 188690a_100000746078_100000173376 [0,1,0,0,0,0|2,0,1]=4 6368 B14R0.2432 CCOC(=O)CCNC(=O)CCSCC 188690a_100000746078_100000230768 [0,1,0,0,0,0|2,0,1]=4 6369 B14R0.2432 CCOC(=O)CCOC(C)CCCOC 34a_200011539412_100000765890 [0,1,0,0,0,0|2,0,0]=3 6370 B14R0.2432 CCOC(=O)CCOC(C)CCCOC 7a_200011539412_100011206558 [0,1,0,0,0,0|2,0,0]=3 6371 B14R0.2432 CCOC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000188475 [0,1,0,0,0,0|2,0,0]=3 6372 B14R0.2432 CCOC(=O)NCCC(=O)CCCCO 1458a_100000695505_200011445536 [0,1,0,0,0,0|2,0,1]=4 6373 B14R0.2432 CCOC(=O)NCCC(=O)CCCOC 1458a_100000741012_200011445536 [0,1,0,0,0,0|2,0,1]=4 6374 B14R0.2432 CCOC(=O)NCCC(=O)CCCSC 1458a_100000173376_200011445536 [0,1,0,0,0,0|2,0,1]=4 6375 B14R0.2432 CCOC(=O)NCCC(=O)CCSCC 1458a_100000230768_200011445536 [0,1,0,0,0,0|2,0,1]=4 6376 B14R0.2432 CCOC(=O)NCCN(C)CCCCO 269982a_100000717598_200011445536 [0,1,0,0,0,0|3,0,0]=4 6377 B14R0.2432 CCOC(=O)NCCN(C)CCCOC 269982a_100000224831_200011445536 [0,1,0,0,0,0|3,0,0]=4 6378 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215890 [0,1,0,0,0,0|1,0,1]=3 6379 B14R0.2432 CCOCCC(=O)CCCC(=O)OCC 1458a_100000749530_100011215271 [0,1,0,0,0,0|1,0,1]=3 6380 B14R0.2432 CCOCCC(=O)CCNC(=O)OCC 1458a_100000749530_200011445536 [0,1,0,0,0,0|2,0,1]=4 6381 B14R0.2432 CCOCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000749530 [0,1,0,0,0,0|2,0,1]=4 6382 B14R1.26 C#CCCCCCN1CCOC(=O)C1 2230a_100000131268_100012094781 [0,0,0,1,0,0|1,0,2]=4 6383 B14R1.26 C=CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000700193 [0,0,0,1,0,0|1,0,2]=4 6384 B14R1.26 CCCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210681 [0,0,0,1,0,0|3,0,0]=4 6385 B14R1.26 CCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210681 [0,0,0,1,0,0|3,0,0]=4 6386 B14R1.26 CCCCCCCN1CCC=C(C1)C 34a_100000725631_100000210614 [0,0,0,1,0,0|3,0,0]=4 6387 B14R1.26 CCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210681 [0,0,0,1,0,0|2,0,0]=3 6388 B14R1.26 CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210681 [0,0,0,1,0,0|1,0,0]=2 6389 B14R1.26 CCCCCCCN1CCOC(C1)C 2230a_100000729577_100000210681 [0,0,0,1,0,0|2,0,1]=4 6390 B14R1.26 CCCCCCCN1CCOC(C1)C 269982a_100000729577_100000210681 [0,0,0,1,0,0|2,0,1]=4 6391 B14R1.26 CCCCCCCN1CCOC(C1)C 34a_100000729577_100000210614 [0,0,0,1,0,0|2,0,1]=4 6392 B14R1.26 CCCCCCCN1CCOC(C1)O 2230a_100000688207_100000210681 [0,0,0,1,0,0|1,0,2]=4 6393 B14R1.26 CCCCCCCN1CCOC(C1)O 269982a_100000688207_100000210681 [0,0,0,1,0,0|1,0,2]=4 6394 B14R1.26 CCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210314 [0,0,0,1,0,0|2,0,0]=3 6395 B14R1.26 CCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210314 [0,0,0,1,0,0|2,0,0]=3 6396 B14R1.26 CCCCCCNC1CCOC(C1)C 270004a_100000210581_100000755752 [0,0,0,1,0,0|2,0,1]=4 6397 B14R1.26 CCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210314 [0,0,0,1,0,0|2,0,0]=3 6398 B14R1.26 CCCCCCOC1CCOC(C1)C 34a_100011986385_100000210314 [0,0,0,1,0,0|2,0,1]=4 6399 B14R1.26 CCCCCCOC1CCOC(C1)C 7a_100011986385_100000210314 [0,0,0,1,0,0|2,0,1]=4 6400 B14R1.26 CCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210314 [0,0,0,1,0,0|2,0,0]=3 6401 B14R1.26 CCCCCOCC1CCCC(=O)N1 34a_200000102386_100000718602 [0,0,0,1,0,0|3,0,0]=4 6402 B14R1.26 CCCCCOCC1CCNC(=O)C1 34a_100009886756_100000718602 [0,0,0,1,0,0|2,0,0]=3 6403 B14R1.26 CCCCOCCN1CCNC(=O)C1 2230a_100000184651_100000743108 [0,0,0,1,0,0|3,0,0]=4 6404 B14R1.26 CCCCOCCN1CCOC(=O)C1 2230a_100000131268_100000743108 [0,0,0,1,0,0|2,0,0]=3 6405 B14R1.26 CCCCOCNC1CCNC(=O)C1 2230a_100016994916_100011995733 [0,0,0,1,0,0|3,0,0]=4 6406 B14R1.26 CCCCOCNC1CCNC(=O)C1 34a_100016994916_100011995733 [0,0,0,1,0,0|3,0,0]=4 6407 B14R1.26 CCCCOCOC1CCCC(=O)C1 34a_100012613340_100011995733 [0,0,0,1,0,0|3,0,0]=4 6408 B14R1.26 CCCCOCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011995733 [0,0,0,1,0,0|3,0,0]=4 6409 B14R1.26 CCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210303 [0,0,0,1,0,0|3,0,0]=4 6410 B14R1.26 CCCOCCNC1CCNC(=O)C1 2230a_100016994916_100011215938 [0,0,0,1,0,0|3,0,0]=4 6411 B14R1.26 CCCOCCNC1CCNC(=O)C1 34a_100016994916_100011215938 [0,0,0,1,0,0|3,0,0]=4 6412 B14R1.26 CCCOCCOC1CCCC(=O)C1 34a_100012613340_100011215938 [0,0,0,1,0,0|3,0,0]=4 6413 B14R1.26 CCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011215938 [0,0,0,1,0,0|3,0,0]=4 6414 B14R1.26 CCOCCCNC1CCNC(=O)C1 2230a_100016994916_100012232248 [0,0,0,1,0,0|3,0,0]=4 6415 B14R1.26 CCOCCCNC1CCNC(=O)C1 34a_100016994916_100012232248 [0,0,0,1,0,0|3,0,0]=4 6416 B14R1.26 CCOCCCOC1CCCC(=O)C1 34a_100012613340_100012232248 [0,0,0,1,0,0|3,0,0]=4 6417 B14R1.26 CCOCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100012232248 [0,0,0,1,0,0|3,0,0]=4 6418 B14R1.26 CCOCCOCC1CCNC(=O)C1 34a_100009886756_100000210147 [0,0,0,1,0,0|3,0,0]=4 6419 B14R1.26 CCSCCOCC1CCNC(=O)C1 34a_100009886756_100000757381 [0,0,0,1,0,0|3,0,0]=4 6420 B14R1.26 COCCCCNC1CCNC(=O)C1 2230a_100016994916_100000730899 [0,0,0,1,0,0|3,0,0]=4 6421 B14R1.26 COCCCCNC1CCNC(=O)C1 34a_100016994916_100000755781 [0,0,0,1,0,0|3,0,0]=4 6422 B14R1.26 COCCCCOC1CCCC(=O)C1 34a_100012613340_100000755781 [0,0,0,1,0,0|3,0,0]=4 6423 B14R1.26 COCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000755781 [0,0,0,1,0,0|3,0,0]=4 6424 B14R1.26 COCCCOCC1CCNC(=O)C1 34a_100009886756_100000740836 [0,0,0,1,0,0|3,0,0]=4 6425 B14R1.26 COCCOCCN1CCOC(=O)C1 2230a_100000131268_100000695917 [0,0,0,1,0,0|3,0,0]=4 6426 B14R1.26 N#CCCCCCN1CCOC(=O)C1 2230a_100000131268_100009813376 [0,0,0,1,0,0|2,0,1]=4 6427 B14R1.26 O=C1CC(CCN1)COCCCCF 34a_100009886756_100000729493 [0,0,0,1,0,0|3,0,0]=4 6428 B14R1.26 O=C1CC(CCN1)COCCCCO 34a_100009886756_100011216708 [0,0,0,1,0,0|3,0,0]=4 6429 B14R1.26 O=C1CC(CCN1)NCCCCCF 2230a_100016994916_100000729378 [0,0,0,1,0,0|3,0,0]=4 6430 B14R1.26 O=C1CC(CCN1)NCCCCCF 34a_100016994916_100000729378 [0,0,0,1,0,0|3,0,0]=4 6431 B14R1.26 O=C1CC(CCN1)NCCCCCO 2230a_100016994916_100000746330 [0,0,0,1,0,0|3,0,0]=4 6432 B14R1.26 O=C1CC(CCN1)NCCCCCO 34a_100016994916_100000746330 [0,0,0,1,0,0|3,0,0]=4 6433 B14R1.26 O=C1CCCC(C1)OCCCCCF 34a_100012613340_100000729378 [0,0,0,1,0,0|3,0,0]=4 6434 B14R1.26 O=C1CCCC(C1)OCCCCCO 34a_100012613340_100000746330 [0,0,0,1,0,0|3,0,0]=4 6435 B14R1.26 O=C1CN(CCN1)CCCCCCF 2230a_100000184651_100015922095 [0,0,0,1,0,0|3,0,0]=4 6436 B14R1.26 O=C1CN(CCN1)CCCCCCO 2230a_100000184651_100000766143 [0,0,0,1,0,0|3,0,0]=4 6437 B14R1.26 O=C1CN(CCO1)CCCCCCF 2230a_100000131268_100015922095 [0,0,0,1,0,0|2,0,0]=3 6438 B14R1.26 O=C1CN(CCO1)CCCCCCO 2230a_100000131268_100000766143 [0,0,0,1,0,0|2,0,0]=3 6439 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCF 34a_100015189427_100000729378 [0,0,0,1,0,0|3,0,0]=4 6440 B14R1.26 O=C1C[C@@H](CCN1)OCCCCCO 34a_100015189427_100000746330 [0,0,0,1,0,0|3,0,0]=4 6441 B14R1.26 O=CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000139337 [0,0,0,1,0,0|2,0,1]=4 6442 B14R1.40 CCCCCCCCCN1CCCC1 2230a_100000188435_100011214924 [0,0,0,1,0,0|3,0,0]=4 6443 B14R1.40 CCCCCCCCCN1CCCC1 269982a_100000188435_100000210670 [0,0,0,1,0,0|3,0,0]=4 6444 B14R1.40 CCCCCCCCOC1CCCO1 34a_100000085407_100000210759 [0,0,0,1,0,0|2,0,1]=4 6445 B14R1.40 CCCCCCCNCC1CCCO1 2230a_100000229938_100000203698 [0,0,0,1,0,0|2,0,1]=4 6446 B14R1.40 CCCCCCCNCC1OCCO1 2230a_100000036311_100000210681 [0,0,0,1,0,0|1,0,2]=4 6447 B14R1.40 CCCCCCCNCC1OCCO1 2230a_100000229938_100000755774 [0,0,0,1,0,0|1,0,2]=4 6448 B14R1.40 CCCCCCCNCC1OCCO1 34a_100000036311_100000210614 [0,0,0,1,0,0|1,0,2]=4 6449 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210681 [0,0,0,1,0,0|2,0,1]=4 6450 B14R1.40 CCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210614 [0,0,0,1,0,0|2,0,1]=4 6451 B14R1.40 CCCCCCCOCC1=NCCN1 34a_100000210272_100000737910 [0,0,0,1,0,0|3,0,0]=4 6452 B14R1.40 CCCCCCCOCC1=NCCN1 7a_100000210272_100000737910 [0,0,0,1,0,0|3,0,0]=4 6453 B14R1.40 CCCCCCCOCC1CCCO1 34a_100000210270_100000210614 [0,0,0,1,0,0|2,0,1]=4 6454 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210270_100000210614 [0,0,0,1,0,0|2,0,1]=4 6455 B14R1.40 CCCCCCCOCC1CCCO1 7a_100000210272_100000203698 [0,0,0,1,0,0|2,0,1]=4 6456 B14R1.40 CCCCCCCOCC1OCCO1 34a_100000087154_100000210614 [0,0,0,1,0,0|1,0,2]=4 6457 B14R1.40 CCCCCCCOCC1OCCO1 34a_100000210272_100000755774 [0,0,0,1,0,0|1,0,2]=4 6458 B14R1.40 CCCCCCCOCC1OCCO1 7a_100000210272_100000755774 [0,0,0,1,0,0|1,0,2]=4 6459 B14R1.40 CCCCCCCSCC1=NCCN1 62a_100000210614_100000737910 [0,0,0,1,0,0|3,0,0]=4 6460 B14R1.40 CCCCCCCSCC1=NCCN1 62a_100000737910_100000210316 [0,0,0,1,0,0|3,0,0]=4 6461 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000203698_100000210316 [0,0,0,1,0,0|2,0,1]=4 6462 B14R1.40 CCCCCCCSCC1CCCO1 62a_100000210614_100000203698 [0,0,0,1,0,0|2,0,1]=4 6463 B14R1.40 CCCCCCCSCC1OCCO1 62a_100000210614_100000755774 [0,0,0,1,0,0|1,0,2]=4 6464 B14R1.40 CCCCCCCSCC1OCCO1 62a_100000755774_100000210316 [0,0,0,1,0,0|1,0,2]=4 6465 B14R1.40 CCCCCCNCCC1OCCO1 2230a_100000034215_100000210314 [0,0,0,1,0,0|1,0,2]=4 6466 B14R1.40 CCCCCCNCCC1OCCO1 2230a_100000210581_100000740749 [0,0,0,1,0,0|1,0,2]=4 6467 B14R1.40 CCCCCCNCCC1OCCO1 34a_100000034215_100000210314 [0,0,0,1,0,0|1,0,2]=4 6468 B14R1.40 CCCCCCOCCC1OCCO1 34a_100000210259_100000740749 [0,0,0,1,0,0|1,0,2]=4 6469 B14R1.40 CCCCCCOCCC1OCCO1 7a_100000210259_100000740749 [0,0,0,1,0,0|1,0,2]=4 6470 B14R1.40 CCCCCCSCCC1OCCO1 62a_100000210314_100000740749 [0,0,0,1,0,0|1,0,2]=4 6471 B14R1.40 CCCCCNCCCC1OCCO1 2230a_100000209983_100000042513 [0,0,0,1,0,0|1,0,2]=4 6472 B14R1.40 CCCCCOCCCC1OCCO1 34a_100000210253_100009861162 [0,0,0,1,0,0|1,0,2]=4 6473 B14R1.40 CCCCCOCCCC1OCCO1 34a_100009871617_100000718602 [0,0,0,1,0,0|1,0,2]=4 6474 B14R1.40 CCCCCOCCCC1OCCO1 7a_100000210253_100000042513 [0,0,0,1,0,0|1,0,2]=4 6475 B14R1.40 CCCCCOCCCC1OCCO1 7a_100009871617_100000210326 [0,0,0,1,0,0|1,0,2]=4 6476 B14R1.40 CCCCCSCCCC1OCCO1 62a_100000210326_100000042513 [0,0,0,1,0,0|1,0,2]=4 6477 B14R1.40 CCCCNCCCCC1OCCO1 2230a_100000102301_100000034956 [0,0,0,1,0,0|1,0,2]=4 6478 B14R1.40 CCCCNCCCCC1OCCO1 7a_106832991798_100000034956 [0,0,0,1,0,0|1,0,2]=4 6479 B14R1.40 CCCCOCCCCC1OCCO1 34a_100000210227_200009813554 [0,0,0,1,0,0|1,0,2]=4 6480 B14R1.40 CCCCOCCCCC1OCCO1 7a_100000210227_100000034956 [0,0,0,1,0,0|1,0,2]=4 6481 B14R1.40 CCCCSCCCCC1OCCO1 62a_100000210211_100000034956 [0,0,0,1,0,0|1,0,2]=4 6482 B14R1.216 C#CCCCCCOC1CCOC1=O 34a_100000766912_100000211211 [0,0,0,1,0,0|1,0,2]=4 6483 B14R1.216 C#CCCCCCOC1CCOC1=O 7a_100000766912_100000211211 [0,0,0,1,0,0|1,0,2]=4 6484 B14R1.216 C#CCCCCCSC1CCOC1=O 62a_100000211211_100012094781 [0,0,0,1,0,0|1,0,2]=4 6485 B14R1.216 C#CCCCCCSC1CCOC1=O 62a_100012094781_100000211211 [0,0,0,1,0,0|1,0,2]=4 6486 B14R1.216 C=CCCCCCOC1CCOC1=O 34a_100011216702_100000211211 [0,0,0,1,0,0|1,0,2]=4 6487 B14R1.216 C=CCCCCCOC1CCOC1=O 7a_100011216702_100000211211 [0,0,0,1,0,0|1,0,2]=4 6488 B14R1.216 C=CCCCCCSC1CCOC1=O 62a_100000211211_100000700193 [0,0,0,1,0,0|1,0,2]=4 6489 B14R1.216 C=CCCCCCSC1CCOC1=O 62a_100000700193_100000211211 [0,0,0,1,0,0|1,0,2]=4 6490 B14R1.216 CC/C=C/CCCOC1CCOC1=O 34a_100016287902_100000211211 [0,0,0,1,0,0|1,0,2]=4 6491 B14R1.216 CC/C=C/CCCOC1CCOC1=O 7a_100016287902_100000211211 [0,0,0,1,0,0|1,0,2]=4 6492 B14R1.216 CCCC#CCCOC1CCOC1=O 34a_100000042726_100000211211 [0,0,0,1,0,0|1,0,2]=4 6493 B14R1.216 CCCC#CCCOC1CCOC1=O 7a_100000042726_100000211211 [0,0,0,1,0,0|1,0,2]=4 6494 B14R1.216 CCCC/C=C/COC1CCOC1=O 34a_200016272032_100000211211 [0,0,0,1,0,0|1,0,2]=4 6495 B14R1.216 CCCC/C=C/COC1CCOC1=O 7a_200016272032_100000211211 [0,0,0,1,0,0|1,0,2]=4 6496 B14R1.216 CCCCC#CCOC1CCOC1=O 34a_200000034558_100000211211 [0,0,0,1,0,0|1,0,2]=4 6497 B14R1.216 CCCCC#CCOC1CCOC1=O 7a_200000034558_100000211211 [0,0,0,1,0,0|1,0,2]=4 6498 B14R1.216 CCCCCCCNC1CCCC1=O 2230a_100000229938_100000211823 [0,0,0,1,0,0|2,0,0]=3 6499 B14R1.216 CCCCCCCNC1CCNC1=O 2230a_100016995588_100000210681 [0,0,0,1,0,0|2,0,0]=3 6500 B14R1.216 CCCCCCCNC1CCNC1=O 34a_100016995588_100000210614 [0,0,0,1,0,0|2,0,0]=3 6501 B14R1.216 CCCCCCCNC1CCOC1=O 2230a_100000229938_100000211211 [0,0,0,1,0,0|1,0,0]=2 6502 B14R1.216 CCCCCCCNC1CCOC1C 270004a_100000229938_100000691750 [0,0,0,1,0,0|2,0,1]=4 6503 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210681 [0,0,0,1,0,0|3,0,0]=4 6504 B14R1.216 CCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210614 [0,0,0,1,0,0|3,0,0]=4 6505 B14R1.216 CCCCCCCOC1CCCC1=O 34a_100000210272_100000709159 [0,0,0,1,0,0|2,0,0]=3 6506 B14R1.216 CCCCCCCOC1CCCC1=O 34a_200000719330_100000210614 [0,0,0,1,0,0|2,0,0]=3 6507 B14R1.216 CCCCCCCOC1CCCC1=O 7a_100000210272_100000211823 [0,0,0,1,0,0|2,0,0]=3 6508 B14R1.216 CCCCCCCOC1CCOC1=O 34a_100000210272_100000211211 [0,0,0,1,0,0|1,0,0]=2 6509 B14R1.216 CCCCCCCOC1CCOC1=O 7a_100000210272_100000211211 [0,0,0,1,0,0|1,0,0]=2 6510 B14R1.216 CCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210614 [0,0,0,1,0,0|2,0,0]=3 6511 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000210614_100000211823 [0,0,0,1,0,0|2,0,0]=3 6512 B14R1.216 CCCCCCCSC1CCCC1=O 62a_100000211823_100000210316 [0,0,0,1,0,0|2,0,0]=3 6513 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000210614_100000211211 [0,0,0,1,0,0|1,0,0]=2 6514 B14R1.216 CCCCCCCSC1CCOC1=O 62a_100000211211_100000210316 [0,0,0,1,0,0|1,0,0]=2 6515 B14R1.216 CCCCCCOCC1CCNC1=O 34a_100000133458_100000210314 [0,0,0,1,0,0|2,0,0]=3 6516 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000026320_100000210757 [0,0,0,1,0,0|3,0,0]=4 6517 B14R1.216 CCCCCCSCN1CCCC1=O 62a_100000210314_100000026320 [0,0,0,1,0,0|3,0,0]=4 6518 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100000209983_100000739059 [0,0,0,1,0,0|3,0,0]=4 6519 B14R1.216 CCCCCNCCN1CCCC1=O 2230a_100011200922_100000210326 [0,0,0,1,0,0|3,0,0]=4 6520 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100000209983_100000090651 [0,0,0,1,0,0|3,0,0]=4 6521 B14R1.216 CCCCCNCCN1CCNC1=O 2230a_100011207550_100000210326 [0,0,0,1,0,0|3,0,0]=4 6522 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000210253_100000739059 [0,0,0,1,0,0|3,0,0]=4 6523 B14R1.216 CCCCCOCCN1CCCC1=O 34a_100000211209_100000718602 [0,0,0,1,0,0|3,0,0]=4 6524 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000210253_100000739059 [0,0,0,1,0,0|3,0,0]=4 6525 B14R1.216 CCCCCOCCN1CCCC1=O 7a_100000211209_100000210326 [0,0,0,1,0,0|3,0,0]=4 6526 B14R1.216 CCCCCOCCN1CCNC1=O 34a_100000216532_100000718602 [0,0,0,1,0,0|3,0,0]=4 6527 B14R1.216 CCCCCOCCN1CCNC1=O 7a_100000210253_100000090651 [0,0,0,1,0,0|3,0,0]=4 6528 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000210326_100000739059 [0,0,0,1,0,0|3,0,0]=4 6529 B14R1.216 CCCCCSCCN1CCCC1=O 62a_100000739059_100000210326 [0,0,0,1,0,0|3,0,0]=4 6530 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000090651_100000210326 [0,0,0,1,0,0|3,0,0]=4 6531 B14R1.216 CCCCCSCCN1CCNC1=O 62a_100000210326_100000090651 [0,0,0,1,0,0|3,0,0]=4 6532 B14R1.216 CCCCNCCCN1CCCC1=O 2230a_100000210347_100000210211 [0,0,0,1,0,0|3,0,0]=4 6533 B14R1.216 CCCCNCCCN1CCCC1=O 34a_100000210347_100000210210 [0,0,0,1,0,0|3,0,0]=4 6534 B14R1.216 CCCCOCCCN1CCCC1=O 34a_100011216539_100000210210 [0,0,0,1,0,0|3,0,0]=4 6535 B14R1.216 CCCCOCCCN1CCCC1=O 7a_100011216539_100000210211 [0,0,0,1,0,0|3,0,0]=4 6536 B14R1.216 CCCCOCCNC1CCNC1=O 2230a_100016995588_100000743108 [0,0,0,1,0,0|3,0,0]=4 6537 B14R1.216 CCCCOCCNC1CCNC1=O 34a_100016995588_100000743108 [0,0,0,1,0,0|3,0,0]=4 6538 B14R1.216 CCCCOCCOC1CCCC1=O 34a_100000210238_100000709159 [0,0,0,1,0,0|3,0,0]=4 6539 B14R1.216 CCCCOCCOC1CCCC1=O 34a_200000719330_100000743108 [0,0,0,1,0,0|3,0,0]=4 6540 B14R1.216 CCCCOCCOC1CCCC1=O 7a_100000210238_100000211823 [0,0,0,1,0,0|3,0,0]=4 6541 B14R1.216 CCCCOCCOC1CCOC1=O 34a_100000210238_100000211211 [0,0,0,1,0,0|2,0,0]=3 6542 B14R1.216 CCCCOCCOC1CCOC1=O 7a_100000210238_100000211211 [0,0,0,1,0,0|2,0,0]=3 6543 B14R1.216 CCCCOCCO[C@H]1CCNC1=O 34a_100000688343_100000743108 [0,0,0,1,0,0|3,0,0]=4 6544 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000211823_100000743108 [0,0,0,1,0,0|3,0,0]=4 6545 B14R1.216 CCCCOCCSC1CCCC1=O 62a_100000743108_100000211823 [0,0,0,1,0,0|3,0,0]=4 6546 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000211211_100000743108 [0,0,0,1,0,0|2,0,0]=3 6547 B14R1.216 CCCCOCCSC1CCOC1=O 62a_100000743108_100000211211 [0,0,0,1,0,0|2,0,0]=3 6548 B14R1.216 CCCCOCOCC1CCNC1=O 34a_100000133458_100011995733 [0,0,0,1,0,0|3,0,0]=4 6549 B14R1.216 CCCCSCCNC1CCCC1=O 2230a_100025743550_100000211823 [0,0,0,1,0,0|3,0,0]=4 6550 B14R1.216 CCCCSCCNC1CCOC1=O 2230a_100025743550_100000211211 [0,0,0,1,0,0|2,0,0]=3 6551 B14R1.216 CCCCSCCOC1CCCC1=O 34a_200000230436_100000709159 [0,0,0,1,0,0|3,0,0]=4 6552 B14R1.216 CCCCSCCOC1CCCC1=O 7a_200000230436_100000211823 [0,0,0,1,0,0|3,0,0]=4 6553 B14R1.216 CCCCSCCOC1CCOC1=O 34a_200000230436_100000211211 [0,0,0,1,0,0|2,0,0]=3 6554 B14R1.216 CCCCSCCOC1CCOC1=O 7a_200000230436_100000211211 [0,0,0,1,0,0|2,0,0]=3 6555 B14R1.216 CCCOCCCNC1CCCC1=O 2230a_100011217757_100000211823 [0,0,0,1,0,0|3,0,0]=4 6556 B14R1.216 CCCOCCCNC1CCCC1=O 34a_100011217757_100000709159 [0,0,0,1,0,0|3,0,0]=4 6557 B14R1.216 CCCOCCCNC1CCOC1=O 2230a_100011217757_100000211211 [0,0,0,1,0,0|2,0,0]=3 6558 B14R1.216 CCCOCCCNC1CCOC1=O 34a_100011217757_100000211211 [0,0,0,1,0,0|2,0,0]=3 6559 B14R1.216 CCCOCCOCC1CCNC1=O 34a_100000133458_100011215938 [0,0,0,1,0,0|3,0,0]=4 6560 B14R1.216 CCOCCCOCC1CCNC1=O 34a_100000133458_100012232248 [0,0,0,1,0,0|3,0,0]=4 6561 B14R1.216 CNCCCCCOC1CCCC1=O 34a_100000722520_100000709159 [0,0,0,1,0,0|3,0,0]=4 6562 B14R1.216 CNCCCCCOC1CCOC1=O 34a_100000722520_100000211211 [0,0,0,1,0,0|2,0,0]=3 6563 B14R1.216 CNCCOCCOC1CCOC1=O 34a_100000228057_100000211211 [0,0,0,1,0,0|3,0,0]=4 6564 B14R1.216 COCCCCCNC1CCCC1=O 2230a_100000747528_100000211823 [0,0,0,1,0,0|3,0,0]=4 6565 B14R1.216 COCCCCCNC1CCCC1=O 34a_100000747528_100000709159 [0,0,0,1,0,0|3,0,0]=4 6566 B14R1.216 COCCCCCNC1CCOC1=O 2230a_100000747528_100000211211 [0,0,0,1,0,0|2,0,0]=3 6567 B14R1.216 COCCCCCNC1CCOC1=O 34a_100000747528_100000211211 [0,0,0,1,0,0|2,0,0]=3 6568 B14R1.216 COCCCCOCC1CCNC1=O 34a_100000133458_100000755781 [0,0,0,1,0,0|3,0,0]=4 6569 B14R1.216 COCCOCCNC1CCOC1=O 2230a_100000745349_100000211211 [0,0,0,1,0,0|3,0,0]=4 6570 B14R1.216 COCCOCCNC1CCOC1=O 34a_100000745349_100000211211 [0,0,0,1,0,0|3,0,0]=4 6571 B14R1.216 COCCOCCOC1CCOC1=O 34a_100011215163_100000211211 [0,0,0,1,0,0|3,0,0]=4 6572 B14R1.216 COCCOCCOC1CCOC1=O 7a_100011215163_100000211211 [0,0,0,1,0,0|3,0,0]=4 6573 B14R1.216 COCCOCCSC1CCOC1=O 62a_100000211211_100000695917 [0,0,0,1,0,0|3,0,0]=4 6574 B14R1.216 COCCOCCSC1CCOC1=O 62a_100000695917_100000211211 [0,0,0,1,0,0|3,0,0]=4 6575 B14R1.216 N#CCCCCCSC1CCOC1=O 62a_100000211211_100009813376 [0,0,0,1,0,0|2,0,1]=4 6576 B14R1.216 N#CCCCCCSC1CCOC1=O 62a_100009813376_100000211211 [0,0,0,1,0,0|2,0,1]=4 6577 B14R1.216 NCCCCCCOC1CCCC1=O 34a_100000686447_100000709159 [0,0,0,1,0,0|3,0,0]=4 6578 B14R1.216 NCCCCCCOC1CCOC1=O 34a_100000686447_100000211211 [0,0,0,1,0,0|2,0,0]=3 6579 B14R1.216 O=C1CCCC1NCCCCCCO 2230a_100000686447_100000211823 [0,0,0,1,0,0|3,0,0]=4 6580 B14R1.216 O=C1CCCC1NCCCCCCO 34a_100000686447_100000709159 [0,0,0,1,0,0|3,0,0]=4 6581 B14R1.216 O=C1CCCC1OCCCCCCBr 34a_100011215345_100000709159 [0,0,0,1,0,0|3,0,0]=4 6582 B14R1.216 O=C1CCCC1OCCCCCCBr 7a_100011215345_100000211823 [0,0,0,1,0,0|3,0,0]=4 6583 B14R1.216 O=C1CCCC1OCCCCCCCl 34a_100000766143_100000709159 [0,0,0,1,0,0|3,0,0]=4 6584 B14R1.216 O=C1CCCC1OCCCCCCCl 7a_100000766143_100000211823 [0,0,0,1,0,0|3,0,0]=4 6585 B14R1.216 O=C1CCCC1OCCCCCCF 34a_100000732779_100000709159 [0,0,0,1,0,0|3,0,0]=4 6586 B14R1.216 O=C1CCCC1OCCCCCCF 34a_200000719330_100015922095 [0,0,0,1,0,0|3,0,0]=4 6587 B14R1.216 O=C1CCCC1OCCCCCCF 7a_100000732779_100000211823 [0,0,0,1,0,0|3,0,0]=4 6588 B14R1.216 O=C1CCCC1OCCCCCCO 34a_200000719330_100000766143 [0,0,0,1,0,0|3,0,0]=4 6589 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100000211823_100015922095 [0,0,0,1,0,0|3,0,0]=4 6590 B14R1.216 O=C1CCCC1SCCCCCCF 62a_100015922095_100000211823 [0,0,0,1,0,0|3,0,0]=4 6591 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000211823_100000766143 [0,0,0,1,0,0|3,0,0]=4 6592 B14R1.216 O=C1CCCC1SCCCCCCO 62a_100000766143_100000211823 [0,0,0,1,0,0|3,0,0]=4 6593 B14R1.216 O=C1NCCC1COCCCCCF 34a_100000133458_100000729378 [0,0,0,1,0,0|3,0,0]=4 6594 B14R1.216 O=C1NCCC1COCCCCCO 34a_100000133458_100000746330 [0,0,0,1,0,0|3,0,0]=4 6595 B14R1.216 O=C1NCCC1NCCCCCCF 2230a_100016995588_100015922095 [0,0,0,1,0,0|3,0,0]=4 6596 B14R1.216 O=C1NCCC1NCCCCCCF 34a_100016995588_100015922095 [0,0,0,1,0,0|3,0,0]=4 6597 B14R1.216 O=C1NCCC1NCCCCCCO 2230a_100016995588_100000766143 [0,0,0,1,0,0|3,0,0]=4 6598 B14R1.216 O=C1NCCC1NCCCCCCO 34a_100016995588_100000766143 [0,0,0,1,0,0|3,0,0]=4 6599 B14R1.216 O=C1NCC[C@@H]1OCCCCCCF 34a_100000688343_100015922095 [0,0,0,1,0,0|3,0,0]=4 6600 B14R1.216 O=C1NCC[C@@H]1OCCCCCCO 34a_100000688343_100000766143 [0,0,0,1,0,0|3,0,0]=4 6601 B14R1.216 O=C1OCCC1NCCCCCCO 2230a_100000686447_100000211211 [0,0,0,1,0,0|2,0,0]=3 6602 B14R1.216 O=C1OCCC1NCCCCCCO 34a_100000686447_100000211211 [0,0,0,1,0,0|2,0,0]=3 6603 B14R1.216 O=C1OCCC1OCCCCCCBr 34a_100011215345_100000211211 [0,0,0,1,0,0|2,0,0]=3 6604 B14R1.216 O=C1OCCC1OCCCCCCBr 7a_100011215345_100000211211 [0,0,0,1,0,0|2,0,0]=3 6605 B14R1.216 O=C1OCCC1OCCCCCCCl 34a_100000766143_100000211211 [0,0,0,1,0,0|2,0,0]=3 6606 B14R1.216 O=C1OCCC1OCCCCCCCl 7a_100000766143_100000211211 [0,0,0,1,0,0|2,0,0]=3 6607 B14R1.216 O=C1OCCC1OCCCCCCF 34a_100000732779_100000211211 [0,0,0,1,0,0|2,0,0]=3 6608 B14R1.216 O=C1OCCC1OCCCCCCF 7a_100000732779_100000211211 [0,0,0,1,0,0|2,0,0]=3 6609 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100000211211_100015922095 [0,0,0,1,0,0|2,0,0]=3 6610 B14R1.216 O=C1OCCC1SCCCCCCF 62a_100015922095_100000211211 [0,0,0,1,0,0|2,0,0]=3 6611 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000211211_100000766143 [0,0,0,1,0,0|2,0,0]=3 6612 B14R1.216 O=C1OCCC1SCCCCCCO 62a_100000766143_100000211211 [0,0,0,1,0,0|2,0,0]=3 6613 B14R1.216 O=CCCCCCSC1CCOC1=O 62a_100000139337_100000211211 [0,0,0,1,0,0|2,0,1]=4 6614 B14R1.216 O=CCCCCCSC1CCOC1=O 62a_100000211211_100000139337 [0,0,0,1,0,0|2,0,1]=4 6615 B14R1.219 CCCCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210314 [0,0,0,1,0,0|2,0,1]=4 6616 B14R1.219 CCCCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210757 [0,0,0,1,0,0|2,0,1]=4 6617 B14R1.219 CCCCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210314 [0,0,0,1,0,0|2,0,1]=4 6618 B14R1.257 CCNC(=O)CCN1CCC1COC 2230a_100015195929_100000737597 [0,0,0,1,0,0|3,0,0]=4 6619 B14R1.257 CCNC(=O)CCN1CCC1COC 269982a_100015195929_100000737597 [0,0,0,1,0,0|3,0,0]=4 6620 B14R1.257 CCOC(=O)CCN1CCC1COC 2230a_100015195929_100011206558 [0,0,0,1,0,0|2,0,0]=3 6621 B14R1.257 CCOC(=O)CCN1CCC1COC 269982a_100015195929_100011206558 [0,0,0,1,0,0|2,0,0]=3 6622 B14R1.257 CCOC(=O)CCN1CCC1COC 34a_100015195929_100000765890 [0,0,0,1,0,0|2,0,0]=3 6623 B14R1.263 C#CCN1CCCCC1C(=O)OCC 2230a_100016990872_100000038162 [0,0,0,1,0,0|1,0,2]=4 6624 B14R1.263 C=CCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210623 [0,0,0,1,0,0|1,0,2]=4 6625 B14R1.263 C=CCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210623 [0,0,0,1,0,0|1,0,2]=4 6626 B14R1.263 CC=CC(=O)N1CCCCC1CCC 11a_100000701414_100000210699 [0,0,0,1,0,0|2,0,1]=4 6627 B14R1.263 CC=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000210699 [0,0,0,1,0,0|2,0,1]=4 6628 B14R1.263 CC=CC(=O)N1CCCCC1CCC 240690a_100000701414_100000210699 [0,0,0,1,0,0|2,0,1]=4 6629 B14R1.263 CCCC(=O)C1CCCCN1CCC 1458a_100000743559_100000210303 [0,0,0,1,0,0|2,0,0]=3 6630 B14R1.263 CCCC(=O)N1CCCCC1CCC 11a_100000701414_100000211992 [0,0,0,1,0,0|2,0,0]=3 6631 B14R1.263 CCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000211992 [0,0,0,1,0,0|2,0,0]=3 6632 B14R1.263 CCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000211992 [0,0,0,1,0,0|2,0,0]=3 6633 B14R1.263 CCCC(=O)N1CCCCC1CCC 527a_100000701414_100000211992 [0,0,0,1,0,0|2,0,0]=3 6634 B14R1.263 CCCC(=O)N1CCCCC1CCO 240690a_100000211664_100000211992 [0,0,0,1,0,0|3,0,0]=4 6635 B14R1.263 CCCC(=O)N1CCCCC1COC 11a_100015184032_100000211992 [0,0,0,1,0,0|3,0,0]=4 6636 B14R1.263 CCCC(=O)N1CCCCC1COC 1626a_100015184032_100000211992 [0,0,0,1,0,0|3,0,0]=4 6637 B14R1.263 CCCC(=O)N1CCCCC1COC 240690a_100015184032_100000211992 [0,0,0,1,0,0|3,0,0]=4 6638 B14R1.263 CCCC(=O)N1CCCCC1COC 527a_100015184032_100000211992 [0,0,0,1,0,0|3,0,0]=4 6639 B14R1.263 CCCC(=O)N1CCOCC1CCC 11a_102495339903_100000211992 [0,0,0,1,0,0|3,0,0]=4 6640 B14R1.263 CCCC(=O)N1CCOCC1CCC 1626a_102495339903_100000211992 [0,0,0,1,0,0|3,0,0]=4 6641 B14R1.263 CCCC(=O)N1CCOCC1CCC 240690a_102495339903_100000211992 [0,0,0,1,0,0|3,0,0]=4 6642 B14R1.263 CCCC(=O)N1CCOCC1CCC 527a_102495339903_100000211992 [0,0,0,1,0,0|3,0,0]=4 6643 B14R1.263 CCCC1CCCCC1N(C)CCC 270004a_100000747261_100011218038 [0,0,0,1,0,0|3,0,0]=4 6644 B14R1.263 CCCC1CCCCN1C(=O)CCO 240690a_100000701414_100011216618 [0,0,0,1,0,0|3,0,0]=4 6645 B14R1.263 CCCC1CCCCN1C(=O)COC 11a_100000701414_100000210968 [0,0,0,1,0,0|3,0,0]=4 6646 B14R1.263 CCCC1CCCCN1C(=O)COC 1626a_100000701414_100000210968 [0,0,0,1,0,0|3,0,0]=4 6647 B14R1.263 CCCC1CCCCN1C(=O)COC 240690a_100000701414_100000210968 [0,0,0,1,0,0|3,0,0]=4 6648 B14R1.263 CCCC1CCCCN1C(=O)COC 527a_100000701414_100000210968 [0,0,0,1,0,0|3,0,0]=4 6649 B14R1.263 CCCC1CCCCN1C(=O)CSC 11a_100000701414_100000184570 [0,0,0,1,0,0|3,0,0]=4 6650 B14R1.263 CCCC1CCCCN1C(=O)CSC 1626a_100000701414_100000184570 [0,0,0,1,0,0|3,0,0]=4 6651 B14R1.263 CCCC1CCCCN1C(=O)CSC 240690a_100000701414_100000184570 [0,0,0,1,0,0|3,0,0]=4 6652 B14R1.263 CCCC1CCCCN1C(=O)CSC 527a_100000701414_100000184570 [0,0,0,1,0,0|3,0,0]=4 6653 B14R1.263 CCCC1CCCCN1C(=O)NCC 2708a_100015525214_100000701414 [0,0,0,1,0,0|2,0,0]=3 6654 B14R1.263 CCCC1CCCCN1C(=O)NCC 273464a_100015525214_100000701414 [0,0,0,1,0,0|2,0,0]=3 6655 B14R1.263 CCCC1COCCN1C(=O)NCC 2708a_100015525214_102495339903 [0,0,0,1,0,0|3,0,0]=4 6656 B14R1.263 CCCC1COCCN1C(=O)NCC 273464a_100015525214_102495339903 [0,0,0,1,0,0|3,0,0]=4 6657 B14R1.263 CCCN1CCCCC1C(=O)CCF 1458a_100000743559_100011217306 [0,0,0,1,0,0|3,0,0]=4 6658 B14R1.263 CCCN1CCCCC1C(=O)CCO 1458a_100000743559_100000211926 [0,0,0,1,0,0|3,0,0]=4 6659 B14R1.263 CCCN1CCCCC1C(=O)NCC 240690a_100015525214_100000743559 [0,0,0,1,0,0|2,0,0]=3 6660 B14R1.263 CCCN1CCCCC1C(=O)NNC 22a_100016993582_100000743559 [0,0,0,1,0,0|3,0,0]=4 6661 B14R1.263 CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210303 [0,0,0,1,0,0|1,0,0]=2 6662 B14R1.263 CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210303 [0,0,0,1,0,0|1,0,0]=2 6663 B14R1.263 CCCN1CCOC[C@H]1C(=O)OCC 2230a_100015229691_100000210303 [0,0,0,1,0,0|2,0,0]=3 6664 B14R1.263 CCCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000210303 [0,0,0,1,0,0|2,0,0]=3 6665 B14R1.263 CCCN1CCSCC1C(=O)OCC 2230a_100000735462_100000210303 [0,0,0,1,0,0|2,0,0]=3 6666 B14R1.263 CCCN1CCSCC1C(=O)OCC 269982a_100000735462_100000210303 [0,0,0,1,0,0|2,0,0]=3 6667 B14R1.263 CCNC(=O)N1CCCCC1CCO 2708a_100015525214_100000211664 [0,0,0,1,0,0|3,0,0]=4 6668 B14R1.263 CCNC(=O)N1CCCCC1CCO 273464a_100015525214_100000211664 [0,0,0,1,0,0|3,0,0]=4 6669 B14R1.263 CCNC(=O)N1CCCCC1COC 2708a_100015525214_100015184032 [0,0,0,1,0,0|3,0,0]=4 6670 B14R1.263 CCNC(=O)N1CCCCC1COC 273464a_100015525214_100015184032 [0,0,0,1,0,0|3,0,0]=4 6671 B14R1.263 CCOC(=O)C1CCCCC1OCC 7a_100000038711_100000210202 [0,0,0,1,0,0|1,0,0]=2 6672 B14R1.263 CCOC(=O)C1CCCCC1OCF 7a_100000038711_100015361967 [0,0,0,1,0,0|2,0,0]=3 6673 B14R1.263 CCOC(=O)C1CCCCN1CC#N 2230a_100016990872_100011215382 [0,0,0,1,0,0|2,0,1]=4 6674 B14R1.263 CCOC(=O)C1CCCCN1CC#N 269982a_100016990872_100011214920 [0,0,0,1,0,0|2,0,1]=4 6675 B14R1.263 CCOC(=O)C1CCCCN1CC=O 2230a_100016990872_200015260668 [0,0,0,1,0,0|2,0,1]=4 6676 B14R1.263 CCOC(=O)C1CCCCN1CC=O 269982a_100016990872_200015260668 [0,0,0,1,0,0|2,0,1]=4 6677 B14R1.263 CCOC(=O)C1CCCCN1CCF 2230a_100016990872_100011217306 [0,0,0,1,0,0|2,0,0]=3 6678 B14R1.263 CCOC(=O)C1CCCCN1CCF 269982a_100016990872_100011217306 [0,0,0,1,0,0|2,0,0]=3 6679 B14R1.263 CCOC(=O)C1CCCCN1CCO 2230a_100016990872_100000211926 [0,0,0,1,0,0|2,0,0]=3 6680 B14R1.263 CCOC(=O)C1CCCCN1CCO 269982a_100016990872_100000211926 [0,0,0,1,0,0|2,0,0]=3 6681 B14R1.263 CCOC(=O)C1CCCCN1COC 2230a_100016990872_100000766300 [0,0,0,1,0,0|2,0,0]=3 6682 B14R1.263 CCOC(=O)C1CCCCN1COC 269982a_100016990872_100000766300 [0,0,0,1,0,0|2,0,0]=3 6683 B14R1.263 CCOC(=O)C1CCCCN1CSC 2230a_100016990872_100011218213 [0,0,0,1,0,0|2,0,0]=3 6684 B14R1.263 CCOC(=O)C1CCCCN1CSC 269982a_100016990872_100011218213 [0,0,0,1,0,0|2,0,0]=3 6685 B14R1.263 CCOC(=O)C1CSCCN1CCF 2230a_100000735462_100011217306 [0,0,0,1,0,0|3,0,0]=4 6686 B14R1.263 CCOC(=O)C1CSCCN1CCF 269982a_100000735462_100011217306 [0,0,0,1,0,0|3,0,0]=4 6687 B14R1.263 CCOC(=O)C1CSCCN1CCO 2230a_100000735462_100000211926 [0,0,0,1,0,0|3,0,0]=4 6688 B14R1.263 CCOC(=O)C1CSCCN1CCO 269982a_100000735462_100000211926 [0,0,0,1,0,0|3,0,0]=4 6689 B14R1.263 CCOC(=O)C1CSCCN1COC 2230a_100000735462_100000766300 [0,0,0,1,0,0|3,0,0]=4 6690 B14R1.263 CCOC(=O)C1CSCCN1COC 269982a_100000735462_100000766300 [0,0,0,1,0,0|3,0,0]=4 6691 B14R1.263 CCOC(=O)C1CSCCN1CSC 2230a_100000735462_100011218213 [0,0,0,1,0,0|3,0,0]=4 6692 B14R1.263 CCOC(=O)C1CSCCN1CSC 269982a_100000735462_100011218213 [0,0,0,1,0,0|3,0,0]=4 6693 B14R1.263 CCOC(=O)[C@@H]1COCCN1CCF 2230a_100015229691_100011217306 [0,0,0,1,0,0|3,0,0]=4 6694 B14R1.263 CCOC(=O)[C@@H]1COCCN1CCF 269982a_100015229691_100011217306 [0,0,0,1,0,0|3,0,0]=4 6695 B14R1.263 CCOC(=O)[C@@H]1COCCN1CCO 2230a_100015229691_100000211926 [0,0,0,1,0,0|3,0,0]=4 6696 B14R1.263 CCOC(=O)[C@@H]1COCCN1CCO 269982a_100015229691_100000211926 [0,0,0,1,0,0|3,0,0]=4 6697 B14R1.263 CCOC(=O)[C@@H]1COCCN1COC 2230a_100015229691_100000766300 [0,0,0,1,0,0|3,0,0]=4 6698 B14R1.263 CCOC(=O)[C@@H]1COCCN1COC 269982a_100015229691_100000766300 [0,0,0,1,0,0|3,0,0]=4 6699 B14R1.263 CCOC(=O)[C@@H]1COCCN1CSC 2230a_100015229691_100011218213 [0,0,0,1,0,0|3,0,0]=4 6700 B14R1.263 CCOC(=O)[C@@H]1COCCN1CSC 269982a_100015229691_100011218213 [0,0,0,1,0,0|3,0,0]=4 6701 B14R1.273 CCCC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000747444 [0,0,0,1,0,0|3,0,0]=4 6702 B14R1.273 CCCC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000747444 [0,0,0,1,0,0|3,0,0]=4 6703 B14R1.273 CCNC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000183381 [0,0,0,1,0,0|3,0,0]=4 6704 B14R1.273 CCNC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000183381 [0,0,0,1,0,0|3,0,0]=4 6705 B14R1.273 CCNC(=O)CN1CCC[C@H]1COC 34a_100020646714_100000183381 [0,0,0,1,0,0|3,0,0]=4 6706 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 2230a_100020646714_100000188475 [0,0,0,1,0,0|2,0,0]=3 6707 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000188475 [0,0,0,1,0,0|2,0,0]=3 6708 B14R1.273 CCOC(=O)CN1CCC[C@H]1COC 34a_100020646714_100000188475 [0,0,0,1,0,0|2,0,0]=3 6709 B14R1.520 C#CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000184674 [0,0,0,1,0,0|1,0,2]=4 6710 B14R1.520 C#CCC(=O)CCCC1CCCCC1 1458a_100011220946_100011713725 [0,0,0,1,0,0|1,0,2]=4 6711 B14R1.520 C=CCC(=O)CCCC1CCCCC1 1458a_100000210193_100011713725 [0,0,0,1,0,0|1,0,2]=4 6712 B14R1.520 C=CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210623 [0,0,0,1,0,0|1,0,2]=4 6713 B14R1.520 C=COC(=O)CNCC1CCCCC1 2230a_100000210473_100000036128 [0,0,0,1,0,0|1,0,2]=4 6714 B14R1.520 C=COC(=O)CNCC1CCCCC1 34a_100000210473_100000036128 [0,0,0,1,0,0|1,0,2]=4 6715 B14R1.520 C=COC(=O)COCC1CCCCC1 34a_100000212181_100000036128 [0,0,0,1,0,0|1,0,2]=4 6716 B14R1.520 C=COC(=O)CSCC1CCCCC1 62a_100000036128_100000211423 [0,0,0,1,0,0|1,0,2]=4 6717 B14R1.520 C=COC(=O)CSCC1CCCCC1 62a_100000211423_100000036128 [0,0,0,1,0,0|1,0,2]=4 6718 B14R1.520 CC#CC(=O)CCCC1CCCCC1 1458a_100000763181_100011713725 [0,0,0,1,0,0|1,0,1]=3 6719 B14R1.520 CC#CC(=O)CCCN1CCCCC1 1458a_100000763181_100000690320 [0,0,0,1,0,0|2,0,1]=4 6720 B14R1.520 CC#CC(=O)CCOC1CCCCC1 1458a_100000763181_100011211530 [0,0,0,1,0,0|2,0,1]=4 6721 B14R1.520 CC=CC(=O)CCCC1CCCCC1 1458a_100000210699_100011713725 [0,0,0,1,0,0|1,0,1]=3 6722 B14R1.520 CC=CC(=O)CCCN1CCCCC1 1458a_100000210699_100000690320 [0,0,0,1,0,0|2,0,1]=4 6723 B14R1.520 CC=CC(=O)CCOC1CCCCC1 1458a_100000210699_100011211530 [0,0,0,1,0,0|2,0,1]=4 6724 B14R1.520 CC=CC(=O)NCCC1CCCCC1 11a_100000738074_100000210699 [0,0,0,1,0,0|2,0,1]=4 6725 B14R1.520 CC=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000210699 [0,0,0,1,0,0|2,0,1]=4 6726 B14R1.520 CC=CC(=O)NCCC1CCCCC1 240690a_100000738074_100000210699 [0,0,0,1,0,0|2,0,1]=4 6727 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210303 [0,0,0,1,0,0|1,0,0]=2 6728 B14R1.520 CCCC(=O)CCCC1CCCCC1 1458a_100000211992_100011713725 [0,0,0,1,0,0|1,0,0]=2 6729 B14R1.520 CCCC(=O)CCCN1CCCCC1 1458a_100000211992_100000690320 [0,0,0,1,0,0|2,0,0]=3 6730 B14R1.520 CCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210303 [0,0,0,1,0,0|2,0,0]=3 6731 B14R1.520 CCCC(=O)CCCN1CCOCC1 1458a_100000211992_100000748698 [0,0,0,1,0,0|3,0,0]=4 6732 B14R1.520 CCCC(=O)CCOC1CCCCC1 1458a_100000211992_100011211530 [0,0,0,1,0,0|2,0,0]=3 6733 B14R1.520 CCCC(=O)CCOC1CCCCO1 1458a_100000211992_100000744793 [0,0,0,1,0,0|3,0,0]=4 6734 B14R1.520 CCCC(=O)CNCC1CCCCC1 2230a_100000210473_100000747444 [0,0,0,1,0,0|2,0,0]=3 6735 B14R1.520 CCCC(=O)CNCC1CCCCO1 2230a_100000174945_100000747444 [0,0,0,1,0,0|3,0,0]=4 6736 B14R1.520 CCCC(=O)CNCC1CCCOC1 2230a_100000720124_100000747444 [0,0,0,1,0,0|3,0,0]=4 6737 B14R1.520 CCCC(=O)CNCC1CCOCC1 2230a_100000746373_100000747444 [0,0,0,1,0,0|3,0,0]=4 6738 B14R1.520 CCCC(=O)CNCC1CCSCC1 2230a_100015188806_100000747444 [0,0,0,1,0,0|3,0,0]=4 6739 B14R1.520 CCCC(=O)COCC1CCCCC1 7a_100000212181_100000747444 [0,0,0,1,0,0|2,0,0]=3 6740 B14R1.520 CCCC(=O)COCC1CCCCO1 1458a_100011223378_100000210303 [0,0,0,1,0,0|3,0,0]=4 6741 B14R1.520 CCCC(=O)COCC1CCCCO1 7a_100000211370_100000747444 [0,0,0,1,0,0|3,0,0]=4 6742 B14R1.520 CCCC(=O)COCC1CCSCC1 7a_100000070558_100000747444 [0,0,0,1,0,0|3,0,0]=4 6743 B14R1.520 CCCC(=O)CSCC1CCCCC1 62a_100000211423_100000747444 [0,0,0,1,0,0|2,0,0]=3 6744 B14R1.520 CCCC(=O)CSCC1CCCCC1 62a_100000747444_100000211423 [0,0,0,1,0,0|2,0,0]=3 6745 B14R1.520 CCCC(=O)CSCC1CCCCO1 62a_100000211543_100000747444 [0,0,0,1,0,0|3,0,0]=4 6746 B14R1.520 CCCC(=O)CSCC1CCCCO1 62a_100000747444_100000211543 [0,0,0,1,0,0|3,0,0]=4 6747 B14R1.520 CCCC(=O)CSCC1CCCOC1 62a_100000741521_100000747444 [0,0,0,1,0,0|3,0,0]=4 6748 B14R1.520 CCCC(=O)CSCC1CCCOC1 62a_100000747444_100000741521 [0,0,0,1,0,0|3,0,0]=4 6749 B14R1.520 CCCC(=O)CSCC1CCOCC1 62a_100000747444_100000749018 [0,0,0,1,0,0|3,0,0]=4 6750 B14R1.520 CCCC(=O)CSCC1CCOCC1 62a_100000754603_100000747444 [0,0,0,1,0,0|3,0,0]=4 6751 B14R1.520 CCCC(=O)NCCC1CCCCC1 11a_100000738074_100000211992 [0,0,0,1,0,0|2,0,0]=3 6752 B14R1.520 CCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000211992 [0,0,0,1,0,0|2,0,0]=3 6753 B14R1.520 CCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000211992 [0,0,0,1,0,0|2,0,0]=3 6754 B14R1.520 CCCC(=O)NCCC1CCCCC1 527a_100000738074_100000211992 [0,0,0,1,0,0|2,0,0]=3 6755 B14R1.520 CCCC(=O)NCCC1CCCCO1 11a_100015183643_100000211992 [0,0,0,1,0,0|3,0,0]=4 6756 B14R1.520 CCCC(=O)NCCC1CCCCO1 1626a_100015183643_100000211992 [0,0,0,1,0,0|3,0,0]=4 6757 B14R1.520 CCCC(=O)NCCC1CCCCO1 240690a_100015183643_100000211992 [0,0,0,1,0,0|3,0,0]=4 6758 B14R1.520 CCCC(=O)NCCC1CCCCO1 527a_100015183643_100000211992 [0,0,0,1,0,0|3,0,0]=4 6759 B14R1.520 CCCC(=O)NCCC1CCOCC1 11a_100000755988_100000211992 [0,0,0,1,0,0|3,0,0]=4 6760 B14R1.520 CCCC(=O)NCCC1CCOCC1 1626a_100000755988_100000211992 [0,0,0,1,0,0|3,0,0]=4 6761 B14R1.520 CCCC(=O)NCCC1CCOCC1 240690a_100000755988_100000211992 [0,0,0,1,0,0|3,0,0]=4 6762 B14R1.520 CCCC(=O)NCCC1CCOCC1 527a_100000755988_100000211992 [0,0,0,1,0,0|3,0,0]=4 6763 B14R1.520 CCCC(=O)NCCN1CCCCC1 240690a_100000216509_100000211992 [0,0,0,1,0,0|3,0,0]=4 6764 B14R1.520 CCCC(=O)NCCN1CCCCC1 527a_100000216509_100000211992 [0,0,0,1,0,0|3,0,0]=4 6765 B14R1.520 CCCC(=O)NNCC1CCCCC1 22a_100000740227_100000211992 [0,0,0,1,0,0|3,0,0]=4 6766 B14R1.520 CCCC(=O)OCNC1CCCCC1 2230a_100000182618_100000034017 [0,0,0,1,0,0|3,0,0]=4 6767 B14R1.520 CCCC(=O)OCNC1CCCCC1 34a_100000182618_100000034017 [0,0,0,1,0,0|3,0,0]=4 6768 B14R1.520 CCCC(=O)OCOC1CCCCC1 34a_100000210231_100000034017 [0,0,0,1,0,0|3,0,0]=4 6769 B14R1.520 CCCC(=O)OCSC1CCCCC1 62a_100000210327_100000034017 [0,0,0,1,0,0|3,0,0]=4 6770 B14R1.520 CCCN(C)CCCC1CCCCC1 2230a_100000747261_100011713725 [0,0,0,1,0,0|3,0,0]=4 6771 B14R1.520 CCCN(C)CCCC1CCCCC1 269982a_100000747261_100011713725 [0,0,0,1,0,0|3,0,0]=4 6772 B14R1.520 CCNC(=O)CCCC1CCCCC1 11a_100015525214_100000211478 [0,0,0,1,0,0|1,0,0]=2 6773 B14R1.520 CCNC(=O)CCCC1CCCCC1 240690a_100015525214_100000211478 [0,0,0,1,0,0|1,0,0]=2 6774 B14R1.520 CCNC(=O)CCCC1CCCCC1 527a_100015525214_100000211478 [0,0,0,1,0,0|1,0,0]=2 6775 B14R1.520 CCNC(=O)CCCN1CCCCC1 240690a_100015525214_100000742516 [0,0,0,1,0,0|2,0,0]=3 6776 B14R1.520 CCNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737597 [0,0,0,1,0,0|2,0,0]=3 6777 B14R1.520 CCNC(=O)CCNC1CCCCC1 270004a_100025743525_100000210434 [0,0,0,1,0,0|2,0,0]=3 6778 B14R1.520 CCNC(=O)CCNC1CCCCC1 34a_100025743525_100000210327 [0,0,0,1,0,0|2,0,0]=3 6779 B14R1.520 CCNC(=O)CCNC1CCCOC1 2230a_100000719290_100000737597 [0,0,0,1,0,0|3,0,0]=4 6780 B14R1.520 CCNC(=O)CCNC1CCCOC1 270004a_100025743525_100000753404 [0,0,0,1,0,0|3,0,0]=4 6781 B14R1.520 CCNC(=O)CCNC1CCCOC1 34a_100025743525_100000693364 [0,0,0,1,0,0|3,0,0]=4 6782 B14R1.520 CCNC(=O)CCNC1CCCSC1 270004a_100025743525_100000057913 [0,0,0,1,0,0|3,0,0]=4 6783 B14R1.520 CCNC(=O)CCNC1CCNCC1 270004a_100025743525_100015192401 [0,0,0,1,0,0|3,0,0]=4 6784 B14R1.520 CCNC(=O)CCNC1CCOCC1 2230a_100000741149_100000737597 [0,0,0,1,0,0|3,0,0]=4 6785 B14R1.520 CCNC(=O)CCNC1CCOCC1 270004a_100025743525_100011217826 [0,0,0,1,0,0|3,0,0]=4 6786 B14R1.520 CCNC(=O)CCNC1CCSCC1 2230a_100000748639_100000737597 [0,0,0,1,0,0|3,0,0]=4 6787 B14R1.520 CCNC(=O)CCNC1CCSCC1 270004a_100025743525_100000203788 [0,0,0,1,0,0|3,0,0]=4 6788 B14R1.520 CCNC(=O)CCNC1CCSCC1 34a_100025743525_100000069128 [0,0,0,1,0,0|3,0,0]=4 6789 B14R1.520 CCNC(=O)CCOC1CCCCC1 7a_100000210231_100000737597 [0,0,0,1,0,0|2,0,0]=3 6790 B14R1.520 CCNC(=O)CCOC1CCCSC1 7a_100015962668_100000737597 [0,0,0,1,0,0|3,0,0]=4 6791 B14R1.520 CCNC(=O)CCOC1CCSCC1 7a_100000731022_100000737597 [0,0,0,1,0,0|3,0,0]=4 6792 B14R1.520 CCNC(=O)CCSC1CCCCC1 62a_100000210327_100000737597 [0,0,0,1,0,0|2,0,0]=3 6793 B14R1.520 CCNC(=O)CCSC1CCCCC1 62a_100000737597_100000210327 [0,0,0,1,0,0|2,0,0]=3 6794 B14R1.520 CCNC(=O)CCSC1CCCOC1 62a_100000737597_100000693364 [0,0,0,1,0,0|3,0,0]=4 6795 B14R1.520 CCNC(=O)CCSC1CCOCC1 62a_100000737597_100011324220 [0,0,0,1,0,0|3,0,0]=4 6796 B14R1.520 CCNC(=O)CCSC1CCSCC1 62a_100000737597_100000069128 [0,0,0,1,0,0|3,0,0]=4 6797 B14R1.520 CCNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183381 [0,0,0,1,0,0|2,0,0]=3 6798 B14R1.520 CCNC(=O)CNCC1CCCCC1 2230a_100016988866_100000211423 [0,0,0,1,0,0|2,0,0]=3 6799 B14R1.520 CCNC(=O)CNCC1CCCCC1 34a_100000210473_100000183381 [0,0,0,1,0,0|2,0,0]=3 6800 B14R1.520 CCNC(=O)CNCC1CCCCO1 2230a_100000174945_100000183381 [0,0,0,1,0,0|3,0,0]=4 6801 B14R1.520 CCNC(=O)CNCC1CCCCO1 2230a_100016988866_100000211543 [0,0,0,1,0,0|3,0,0]=4 6802 B14R1.520 CCNC(=O)CNCC1CCCCO1 34a_100000174945_100000183381 [0,0,0,1,0,0|3,0,0]=4 6803 B14R1.520 CCNC(=O)CNCC1CCCOC1 2230a_100000720124_100000183381 [0,0,0,1,0,0|3,0,0]=4 6804 B14R1.520 CCNC(=O)CNCC1CCCOC1 2230a_100016988866_100000741521 [0,0,0,1,0,0|3,0,0]=4 6805 B14R1.520 CCNC(=O)CNCC1CCCOC1 34a_100000720124_100000183381 [0,0,0,1,0,0|3,0,0]=4 6806 B14R1.520 CCNC(=O)CNCC1CCOCC1 2230a_100000746373_100000183381 [0,0,0,1,0,0|3,0,0]=4 6807 B14R1.520 CCNC(=O)CNCC1CCOCC1 2230a_100016988866_100000754603 [0,0,0,1,0,0|3,0,0]=4 6808 B14R1.520 CCNC(=O)CNCC1CCOCC1 34a_100000746373_100000183381 [0,0,0,1,0,0|3,0,0]=4 6809 B14R1.520 CCNC(=O)CNCC1CCSCC1 2230a_100015188806_100000183381 [0,0,0,1,0,0|3,0,0]=4 6810 B14R1.520 CCNC(=O)CNCC1CCSCC1 270004a_100016988866_100000067145 [0,0,0,1,0,0|3,0,0]=4 6811 B14R1.520 CCNC(=O)CNCC1CCSCC1 34a_100015188806_100000183381 [0,0,0,1,0,0|3,0,0]=4 6812 B14R1.520 CCNC(=O)COCC1CCCCC1 34a_100000212181_100000183381 [0,0,0,1,0,0|2,0,0]=3 6813 B14R1.520 CCNC(=O)COCC1CCCCC1 7a_100000212181_100000183381 [0,0,0,1,0,0|2,0,0]=3 6814 B14R1.520 CCNC(=O)COCC1CCCCN1 34a_100000210821_100000183381 [0,0,0,1,0,0|3,0,0]=4 6815 B14R1.520 CCNC(=O)COCC1CCCCO1 11a_100015525214_100011223378 [0,0,0,1,0,0|3,0,0]=4 6816 B14R1.520 CCNC(=O)COCC1CCCCO1 240690a_100015525214_100011223378 [0,0,0,1,0,0|3,0,0]=4 6817 B14R1.520 CCNC(=O)COCC1CCCCO1 34a_100000211370_100000183381 [0,0,0,1,0,0|3,0,0]=4 6818 B14R1.520 CCNC(=O)COCC1CCCCO1 527a_100015525214_100011223378 [0,0,0,1,0,0|3,0,0]=4 6819 B14R1.520 CCNC(=O)COCC1CCCCO1 7a_100000211370_100000183381 [0,0,0,1,0,0|3,0,0]=4 6820 B14R1.520 CCNC(=O)COCC1CCCNC1 34a_100000211344_100000183381 [0,0,0,1,0,0|3,0,0]=4 6821 B14R1.520 CCNC(=O)COCC1CCCOC1 34a_100000741520_100000183381 [0,0,0,1,0,0|3,0,0]=4 6822 B14R1.520 CCNC(=O)COCC1CCNCC1 34a_100000738675_100000183381 [0,0,0,1,0,0|3,0,0]=4 6823 B14R1.520 CCNC(=O)COCC1CCOCC1 34a_100000749013_100000183381 [0,0,0,1,0,0|3,0,0]=4 6824 B14R1.520 CCNC(=O)COCC1CCSCC1 34a_100000070558_100000183381 [0,0,0,1,0,0|3,0,0]=4 6825 B14R1.520 CCNC(=O)COCC1CCSCC1 7a_100000070558_100000183381 [0,0,0,1,0,0|3,0,0]=4 6826 B14R1.520 CCNC(=O)CSCC1CCCCC1 62a_100000183381_100000211423 [0,0,0,1,0,0|2,0,0]=3 6827 B14R1.520 CCNC(=O)CSCC1CCCCC1 62a_100000211423_100000183381 [0,0,0,1,0,0|2,0,0]=3 6828 B14R1.520 CCNC(=O)CSCC1CCCCO1 62a_100000183381_100000211543 [0,0,0,1,0,0|3,0,0]=4 6829 B14R1.520 CCNC(=O)CSCC1CCCCO1 62a_100000211543_100000183381 [0,0,0,1,0,0|3,0,0]=4 6830 B14R1.520 CCNC(=O)CSCC1CCCOC1 62a_100000183381_100000741521 [0,0,0,1,0,0|3,0,0]=4 6831 B14R1.520 CCNC(=O)CSCC1CCCOC1 62a_100000741521_100000183381 [0,0,0,1,0,0|3,0,0]=4 6832 B14R1.520 CCNC(=O)CSCC1CCOCC1 62a_100000183381_100000749018 [0,0,0,1,0,0|3,0,0]=4 6833 B14R1.520 CCNC(=O)CSCC1CCOCC1 62a_100000754603_100000183381 [0,0,0,1,0,0|3,0,0]=4 6834 B14R1.520 CCNC(=O)NCCC1CCCCC1 2708a_100000738074_100015525214 [0,0,0,1,0,0|2,0,0]=3 6835 B14R1.520 CCNC(=O)NCCC1CCCCC1 2708a_100015525214_100000738074 [0,0,0,1,0,0|2,0,0]=3 6836 B14R1.520 CCNC(=O)NCCC1CCCCC1 273464a_100000738074_100015525214 [0,0,0,1,0,0|2,0,0]=3 6837 B14R1.520 CCNC(=O)NCCC1CCCCC1 273464a_100015525214_100000738074 [0,0,0,1,0,0|2,0,0]=3 6838 B14R1.520 CCNC(=O)NCCC1CCCCC1 512a_100000738074_100015525214 [0,0,0,1,0,0|2,0,0]=3 6839 B14R1.520 CCNC(=O)NCCC1CCCCC1 512a_100015525214_100000738074 [0,0,0,1,0,0|2,0,0]=3 6840 B14R1.520 CCNC(=O)NCCC1CCCCO1 2708a_100015183643_100015525214 [0,0,0,1,0,0|3,0,0]=4 6841 B14R1.520 CCNC(=O)NCCC1CCCCO1 2708a_100015525214_100015183643 [0,0,0,1,0,0|3,0,0]=4 6842 B14R1.520 CCNC(=O)NCCC1CCCCO1 273464a_100015183643_100015525214 [0,0,0,1,0,0|3,0,0]=4 6843 B14R1.520 CCNC(=O)NCCC1CCCCO1 273464a_100015525214_100015183643 [0,0,0,1,0,0|3,0,0]=4 6844 B14R1.520 CCNC(=O)NCCC1CCCCO1 512a_100015183643_100015525214 [0,0,0,1,0,0|3,0,0]=4 6845 B14R1.520 CCNC(=O)NCCC1CCCCO1 512a_100015525214_100015183643 [0,0,0,1,0,0|3,0,0]=4 6846 B14R1.520 CCNC(=O)NCCC1CCOCC1 2708a_100000755988_100015525214 [0,0,0,1,0,0|3,0,0]=4 6847 B14R1.520 CCNC(=O)NCCC1CCOCC1 2708a_100015525214_100000755988 [0,0,0,1,0,0|3,0,0]=4 6848 B14R1.520 CCNC(=O)NCCC1CCOCC1 273464a_100000755988_100015525214 [0,0,0,1,0,0|3,0,0]=4 6849 B14R1.520 CCNC(=O)NCCC1CCOCC1 273464a_100015525214_100000755988 [0,0,0,1,0,0|3,0,0]=4 6850 B14R1.520 CCNC(=O)NCCC1CCOCC1 512a_100000755988_100015525214 [0,0,0,1,0,0|3,0,0]=4 6851 B14R1.520 CCNC(=O)NCCC1CCOCC1 512a_100015525214_100000755988 [0,0,0,1,0,0|3,0,0]=4 6852 B14R1.520 CCNC(=O)NCCN1CCCCC1 2708a_100015525214_100000216509 [0,0,0,1,0,0|3,0,0]=4 6853 B14R1.520 CCNC(=O)NCCN1CCCCC1 273464a_100000216509_100015525214 [0,0,0,1,0,0|3,0,0]=4 6854 B14R1.520 CCNC(=O)NCCN1CCCCC1 273464a_100015525214_100000216509 [0,0,0,1,0,0|3,0,0]=4 6855 B14R1.520 CCNC(=O)NNCC1CCCCC1 273464a_100015525214_100000740227 [0,0,0,1,0,0|3,0,0]=4 6856 B14R1.520 CCNC(=O)NNCC1CCCCC1 512a_100015525214_100000740227 [0,0,0,1,0,0|3,0,0]=4 6857 B14R1.520 CCOC(=O)C=NNC1CCCCC1 4a_100000709804_100000742314 [0,0,0,1,0,0|2,0,1]=4 6858 B14R1.520 CCOC(=O)CCCN1CC=CCC1 2230a_100000698166_100009991533 [0,0,0,1,0,0|1,0,2]=4 6859 B14R1.520 CCOC(=O)CCCN1CC=CCC1 269982a_100000698166_100009991533 [0,0,0,1,0,0|1,0,2]=4 6860 B14R1.520 CCOC(=O)CCCN1CC=CCC1 34a_100000698166_100009991533 [0,0,0,1,0,0|1,0,2]=4 6861 B14R1.520 CCOC(=O)CCCN1CCCOC1 2230a_100000131196_100009991533 [0,0,0,1,0,0|2,0,0]=3 6862 B14R1.520 CCOC(=O)CCCN1CCCOC1 269982a_100000131196_100009991533 [0,0,0,1,0,0|2,0,0]=3 6863 B14R1.520 CCOC(=O)CCCN1CCCOC1 34a_100000131196_100009991533 [0,0,0,1,0,0|2,0,0]=3 6864 B14R1.520 CCOC(=O)CCCN1CCOCC1 2230a_100015191051_100009991533 [0,0,0,1,0,0|2,0,0]=3 6865 B14R1.520 CCOC(=O)CCCN1CCOCC1 269982a_100015191051_100009991533 [0,0,0,1,0,0|2,0,0]=3 6866 B14R1.520 CCOC(=O)CCCN1CCOCC1 34a_100015191051_100009991533 [0,0,0,1,0,0|2,0,0]=3 6867 B14R1.520 CCOC(=O)CCCN1CCSCC1 2230a_100000737611_100009991533 [0,0,0,1,0,0|2,0,0]=3 6868 B14R1.520 CCOC(=O)CCCN1CCSCC1 269982a_100000737611_100009991533 [0,0,0,1,0,0|2,0,0]=3 6869 B14R1.520 CCOC(=O)CCNC1CCCCC1 2230a_100000182618_100011206558 [0,0,0,1,0,0|1,0,0]=2 6870 B14R1.520 CCOC(=O)CCNC1CCCCC1 34a_100000182618_100000765890 [0,0,0,1,0,0|1,0,0]=2 6871 B14R1.520 CCOC(=O)CCNC1CCCOC1 2230a_100000719290_100011206558 [0,0,0,1,0,0|2,0,0]=3 6872 B14R1.520 CCOC(=O)CCNC1CCCOC1 34a_100000719290_100000765890 [0,0,0,1,0,0|2,0,0]=3 6873 B14R1.520 CCOC(=O)CCNC1CCOCC1 2230a_100000741149_100011206558 [0,0,0,1,0,0|2,0,0]=3 6874 B14R1.520 CCOC(=O)CCNC1CCOCC1 34a_100000741149_100000765890 [0,0,0,1,0,0|2,0,0]=3 6875 B14R1.520 CCOC(=O)CCNC1CCSCC1 2230a_100000748639_100011206558 [0,0,0,1,0,0|2,0,0]=3 6876 B14R1.520 CCOC(=O)CCNC1CCSCC1 34a_100000748639_100000765890 [0,0,0,1,0,0|2,0,0]=3 6877 B14R1.520 CCOC(=O)CCOC1C=CCCC1 34a_100011215024_100000765890 [0,0,0,1,0,0|1,0,2]=4 6878 B14R1.520 CCOC(=O)CCOC1CC=CCC1 34a_100000073881_100000765890 [0,0,0,1,0,0|1,0,2]=4 6879 B14R1.520 CCOC(=O)CCOC1CCCCC1 34a_100000210231_100000765890 [0,0,0,1,0,0|1,0,0]=2 6880 B14R1.520 CCOC(=O)CCOC1CCCCC1 7a_100000210231_100011206558 [0,0,0,1,0,0|1,0,0]=2 6881 B14R1.520 CCOC(=O)CCOC1CCCCO1 34a_100000033831_100000765890 [0,0,0,1,0,0|2,0,0]=3 6882 B14R1.520 CCOC(=O)CCOC1CCCOC1 34a_100000754041_100000765890 [0,0,0,1,0,0|2,0,0]=3 6883 B14R1.520 CCOC(=O)CCOC1CCCSC1 7a_100015962668_100011206558 [0,0,0,1,0,0|2,0,0]=3 6884 B14R1.520 CCOC(=O)CCOC1CCOCC1 34a_100000744328_100000765890 [0,0,0,1,0,0|2,0,0]=3 6885 B14R1.520 CCOC(=O)CCOC1CCSCC1 34a_100000731022_100000765890 [0,0,0,1,0,0|2,0,0]=3 6886 B14R1.520 CCOC(=O)CCOC1CCSCC1 7a_100000731022_100011206558 [0,0,0,1,0,0|2,0,0]=3 6887 B14R1.520 CCOC(=O)CCSC1C=CCCC1 62a_100000751183_100000765890 [0,0,0,1,0,0|1,0,2]=4 6888 B14R1.520 CCOC(=O)CCSC1C=CCCC1 62a_100000765890_100000751183 [0,0,0,1,0,0|1,0,2]=4 6889 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000210327_100000765890 [0,0,0,1,0,0|1,0,0]=2 6890 B14R1.520 CCOC(=O)CCSC1CCCCC1 62a_100000765890_100000210327 [0,0,0,1,0,0|1,0,0]=2 6891 B14R1.520 CCOC(=O)CCSC1CCCOC1 62a_100000765890_100000693364 [0,0,0,1,0,0|2,0,0]=3 6892 B14R1.520 CCOC(=O)CCSC1CCOCC1 62a_100000765890_100011324220 [0,0,0,1,0,0|2,0,0]=3 6893 B14R1.520 CCOC(=O)CCSC1CCSCC1 62a_100000765890_100000069128 [0,0,0,1,0,0|2,0,0]=3 6894 B14R1.520 CCOC(=O)CNCC1CCCCC1 2230a_100000210473_100000188475 [0,0,0,1,0,0|1,0,0]=2 6895 B14R1.520 CCOC(=O)CNCC1CCCCC1 34a_100000210473_100000188475 [0,0,0,1,0,0|1,0,0]=2 6896 B14R1.520 CCOC(=O)CNCC1CCCCO1 2230a_100000174945_100000188475 [0,0,0,1,0,0|2,0,0]=3 6897 B14R1.520 CCOC(=O)CNCC1CCCCO1 34a_100000174945_100000188475 [0,0,0,1,0,0|2,0,0]=3 6898 B14R1.520 CCOC(=O)CNCC1CCCOC1 2230a_100000720124_100000188475 [0,0,0,1,0,0|2,0,0]=3 6899 B14R1.520 CCOC(=O)CNCC1CCCOC1 34a_100000720124_100000188475 [0,0,0,1,0,0|2,0,0]=3 6900 B14R1.520 CCOC(=O)CNCC1CCOCC1 2230a_100000746373_100000188475 [0,0,0,1,0,0|2,0,0]=3 6901 B14R1.520 CCOC(=O)CNCC1CCOCC1 34a_100000746373_100000188475 [0,0,0,1,0,0|2,0,0]=3 6902 B14R1.520 CCOC(=O)CNCC1CCSCC1 2230a_100015188806_100000188475 [0,0,0,1,0,0|2,0,0]=3 6903 B14R1.520 CCOC(=O)CNCC1CCSCC1 34a_100015188806_100000188475 [0,0,0,1,0,0|2,0,0]=3 6904 B14R1.520 CCOC(=O)CNC[C@H]1COCCO1 2230a_100010981119_100000188475 [0,0,0,1,0,0|3,0,0]=4 6905 B14R1.520 CCOC(=O)CNC[C@H]1COCCO1 34a_100010981119_100000188475 [0,0,0,1,0,0|3,0,0]=4 6906 B14R1.520 CCOC(=O)COCC1CC=CCC1 34a_100000210713_100000188475 [0,0,0,1,0,0|1,0,2]=4 6907 B14R1.520 CCOC(=O)COCC1CCCCC1 34a_100000212181_100000188475 [0,0,0,1,0,0|1,0,0]=2 6908 B14R1.520 CCOC(=O)COCC1CCCCC1 7a_100000212181_100000188475 [0,0,0,1,0,0|1,0,0]=2 6909 B14R1.520 CCOC(=O)COCC1CCCCN1 34a_100000210821_100000188475 [0,0,0,1,0,0|2,0,0]=3 6910 B14R1.520 CCOC(=O)COCC1CCCCO1 34a_100000211370_100000188475 [0,0,0,1,0,0|2,0,0]=3 6911 B14R1.520 CCOC(=O)COCC1CCCCO1 7a_100000211370_100000188475 [0,0,0,1,0,0|2,0,0]=3 6912 B14R1.520 CCOC(=O)COCC1CCCNC1 34a_100000211344_100000188475 [0,0,0,1,0,0|2,0,0]=3 6913 B14R1.520 CCOC(=O)COCC1CCCOC1 34a_100000741520_100000188475 [0,0,0,1,0,0|2,0,0]=3 6914 B14R1.520 CCOC(=O)COCC1CCNCC1 34a_100000738675_100000188475 [0,0,0,1,0,0|2,0,0]=3 6915 B14R1.520 CCOC(=O)COCC1CCOCC1 34a_100000749013_100000188475 [0,0,0,1,0,0|2,0,0]=3 6916 B14R1.520 CCOC(=O)COCC1CCSCC1 34a_100000070558_100000188475 [0,0,0,1,0,0|2,0,0]=3 6917 B14R1.520 CCOC(=O)COCC1CCSCC1 7a_100000070558_100000188475 [0,0,0,1,0,0|2,0,0]=3 6918 B14R1.520 CCOC(=O)COC[C@@H]1CNCCO1 34a_100015189573_100000188475 [0,0,0,1,0,0|3,0,0]=4 6919 B14R1.520 CCOC(=O)COC[C@@H]1COCCN1 34a_100000717676_100000188475 [0,0,0,1,0,0|3,0,0]=4 6920 B14R1.520 CCOC(=O)COC[C@H]1COCCO1 34a_100009875890_100000188475 [0,0,0,1,0,0|3,0,0]=4 6921 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000188475_100000211423 [0,0,0,1,0,0|1,0,0]=2 6922 B14R1.520 CCOC(=O)CSCC1CCCCC1 62a_100000211423_100000188475 [0,0,0,1,0,0|1,0,0]=2 6923 B14R1.520 CCOC(=O)CSCC1CCCCO1 62a_100000188475_100000211543 [0,0,0,1,0,0|2,0,0]=3 6924 B14R1.520 CCOC(=O)CSCC1CCCCO1 62a_100000211543_100000188475 [0,0,0,1,0,0|2,0,0]=3 6925 B14R1.520 CCOC(=O)CSCC1CCCOC1 62a_100000188475_100000741521 [0,0,0,1,0,0|2,0,0]=3 6926 B14R1.520 CCOC(=O)CSCC1CCCOC1 62a_100000741521_100000188475 [0,0,0,1,0,0|2,0,0]=3 6927 B14R1.520 CCOC(=O)CSCC1CCOCC1 62a_100000188475_100000749018 [0,0,0,1,0,0|2,0,0]=3 6928 B14R1.520 CCOC(=O)CSCC1CCOCC1 62a_100000754603_100000188475 [0,0,0,1,0,0|2,0,0]=3 6929 B14R1.520 CCOC(=O)NCCN1CCCOC1 269982a_100000131196_200011445536 [0,0,0,1,0,0|3,0,0]=4 6930 B14R1.520 CCOC(=O)NCCN1CCOCC1 269982a_100015191051_200011445536 [0,0,0,1,0,0|3,0,0]=4 6931 B14R1.520 CCOC(=O)NCCN1CCSCC1 269982a_100000737611_200011445536 [0,0,0,1,0,0|3,0,0]=4 6932 B14R1.520 CCOC(=O)OCSC1CCCCC1 62a_100000210327_100000075025 [0,0,0,1,0,0|2,0,0]=3 6933 B14R1.520 CNNC(=O)CCCC1CCCCC1 22a_100016993582_100000211478 [0,0,0,1,0,0|2,0,0]=3 6934 B14R1.520 CNNC(=O)CCCN1CCCCC1 22a_100016993582_100000742516 [0,0,0,1,0,0|3,0,0]=4 6935 B14R1.520 CNNC(=O)NCCC1CCCCC1 273464a_100000738074_100016993582 [0,0,0,1,0,0|3,0,0]=4 6936 B14R1.520 CNNC(=O)NCCC1CCCCC1 512a_100000738074_100016993582 [0,0,0,1,0,0|3,0,0]=4 6937 B14R1.520 CNNC(=O)NCCC1CCCCC1 512a_100016993582_100000738074 [0,0,0,1,0,0|3,0,0]=4 6938 B14R1.520 COCC(=O)CCCC1CCCCC1 1458a_100000210968_100011713725 [0,0,0,1,0,0|2,0,0]=3 6939 B14R1.520 COCC(=O)CCCN1CCCCC1 1458a_100000210968_100000690320 [0,0,0,1,0,0|3,0,0]=4 6940 B14R1.520 COCC(=O)CCOC1CCCCC1 1458a_100000210968_100011211530 [0,0,0,1,0,0|3,0,0]=4 6941 B14R1.520 COCC(=O)NCCC1CCCCC1 11a_100000738074_100000210968 [0,0,0,1,0,0|3,0,0]=4 6942 B14R1.520 COCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210968 [0,0,0,1,0,0|3,0,0]=4 6943 B14R1.520 COCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210968 [0,0,0,1,0,0|3,0,0]=4 6944 B14R1.520 COCC(=O)NCCC1CCCCC1 527a_100000738074_100000210968 [0,0,0,1,0,0|3,0,0]=4 6945 B14R1.520 CSCC(=O)CCCC1CCCCC1 1458a_100000184570_100011713725 [0,0,0,1,0,0|2,0,0]=3 6946 B14R1.520 CSCC(=O)CCCN1CCCCC1 1458a_100000184570_100000690320 [0,0,0,1,0,0|3,0,0]=4 6947 B14R1.520 CSCC(=O)CCOC1CCCCC1 1458a_100000184570_100011211530 [0,0,0,1,0,0|3,0,0]=4 6948 B14R1.520 CSCC(=O)NCCC1CCCCC1 11a_100000738074_100000184570 [0,0,0,1,0,0|3,0,0]=4 6949 B14R1.520 CSCC(=O)NCCC1CCCCC1 1626a_100000738074_100000184570 [0,0,0,1,0,0|3,0,0]=4 6950 B14R1.520 CSCC(=O)NCCC1CCCCC1 240690a_100000738074_100000184570 [0,0,0,1,0,0|3,0,0]=4 6951 B14R1.520 CSCC(=O)NCCC1CCCCC1 527a_100000738074_100000184570 [0,0,0,1,0,0|3,0,0]=4 6952 B14R1.520 N#CCC(=O)CCCC1CCCCC1 1458a_100000211478_100011214920 [0,0,0,1,0,0|2,0,1]=4 6953 B14R1.520 N#CCC(=O)CCCC1CCCCC1 1458a_100051588842_100011713725 [0,0,0,1,0,0|2,0,1]=4 6954 B14R1.520 O=C(C=CBr)CCCC1CCCCC1 1458a_100016273825_100011713725 [0,0,0,1,0,0|2,0,1]=4 6955 B14R1.520 O=C(C=CCl)CCCC1CCCCC1 1458a_200016279998_100011713725 [0,0,0,1,0,0|2,0,1]=4 6956 B14R1.520 O=C(C=CI)CCCC1CCCCC1 1458a_100016256311_100011713725 [0,0,0,1,0,0|2,0,1]=4 6957 B14R1.520 O=C(CCF)CCCC1CCCCC1 1458a_100000211478_100011217306 [0,0,0,1,0,0|2,0,0]=3 6958 B14R1.520 O=C(CCF)CCCN1CCCCC1 1458a_100000742516_100011217306 [0,0,0,1,0,0|3,0,0]=4 6959 B14R1.520 O=C(CCO)CCCC1CCCCC1 1458a_100000211478_100000211926 [0,0,0,1,0,0|2,0,0]=3 6960 B14R1.520 O=C(CCO)CCCC1CCCCC1 1458a_100011216618_100011713725 [0,0,0,1,0,0|2,0,0]=3 6961 B14R1.520 O=C(CCO)CCCN1CCCCC1 1458a_100000742516_100000211926 [0,0,0,1,0,0|3,0,0]=4 6962 B14R1.520 O=C(CCO)CCCN1CCCCC1 1458a_100011216618_100000690320 [0,0,0,1,0,0|3,0,0]=4 6963 B14R1.520 O=C(CCO)CCOC1CCCCC1 1458a_100011216618_100011211530 [0,0,0,1,0,0|3,0,0]=4 6964 B14R1.520 O=C(CCO)NCCC1CCCCC1 240690a_100000738074_100011216618 [0,0,0,1,0,0|3,0,0]=4 6965 B14R1.520 O=C(CNCC1CCCCC1)NCO 2230a_100000210473_100000185155 [0,0,0,1,0,0|3,0,0]=4 6966 B14R1.520 O=C(CNCC1CCCCC1)NCO 34a_100000210473_100000185155 [0,0,0,1,0,0|3,0,0]=4 6967 B14R1.520 O=C(COCC1CCCCC1)NCO 34a_100000212181_100000185155 [0,0,0,1,0,0|3,0,0]=4 6968 B14R1.520 O=C(COCC1CCCCC1)NCO 7a_100000212181_100000185155 [0,0,0,1,0,0|3,0,0]=4 6969 B14R1.520 O=C(CSCC1CCCCC1)NCO 62a_100000185155_100000211423 [0,0,0,1,0,0|3,0,0]=4 6970 B14R1.520 O=C(CSCC1CCCCC1)NCO 62a_100000211423_100000185155 [0,0,0,1,0,0|3,0,0]=4 6971 B14R1.598 C=COC(=O)CNC1CCCCC1C 2230a_100000211402_100000036128 [0,0,0,1,0,0|1,0,2]=4 6972 B14R1.598 C=COC(=O)CNC1CCCCC1C 34a_100000211402_100000036128 [0,0,0,1,0,0|1,0,2]=4 6973 B14R1.598 C=COC(=O)COC1CCCCC1C 34a_100000211207_100000036128 [0,0,0,1,0,0|1,0,2]=4 6974 B14R1.598 CC#CC(=O)CCC1CCCCN1C 1458a_100000763181_100000211948 [0,0,0,1,0,0|2,0,1]=4 6975 B14R1.598 CC1CCCCC1NCC(=O)NCO 2230a_100000211402_100000185155 [0,0,0,1,0,0|3,0,0]=4 6976 B14R1.598 CC1CCCCC1NCC(=O)NCO 34a_100000211402_100000185155 [0,0,0,1,0,0|3,0,0]=4 6977 B14R1.598 CC1CCCCC1OCC(=O)CCF 1458a_100011223357_100011217306 [0,0,0,1,0,0|3,0,0]=4 6978 B14R1.598 CC1CCCCC1OCC(=O)CCO 1458a_100011223357_100000211926 [0,0,0,1,0,0|3,0,0]=4 6979 B14R1.598 CC1CCCCC1OCC(=O)NCO 34a_100000211207_100000185155 [0,0,0,1,0,0|3,0,0]=4 6980 B14R1.598 CC1CCCCC1OCC(=O)NCO 7a_100000211207_100000185155 [0,0,0,1,0,0|3,0,0]=4 6981 B14R1.598 CC=CC(=O)CCC1CCCCN1C 1458a_100000210699_100000211948 [0,0,0,1,0,0|2,0,1]=4 6982 B14R1.598 CCCC(=O)CCC1CCCCN1C 1458a_100000211992_100000211948 [0,0,0,1,0,0|2,0,0]=3 6983 B14R1.598 CCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210303 [0,0,0,1,0,0|2,0,0]=3 6984 B14R1.598 CCCC(=O)CNC1CCCCC1C 2230a_100000211402_100000747444 [0,0,0,1,0,0|2,0,0]=3 6985 B14R1.598 CCCC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747444 [0,0,0,1,0,0|3,0,0]=4 6986 B14R1.598 CCCC(=O)COC1CCCCC1C 1458a_100011223357_100000210303 [0,0,0,1,0,0|2,0,0]=3 6987 B14R1.598 CCCC(=O)COC1CCCCC1C 7a_100000211207_100000747444 [0,0,0,1,0,0|2,0,0]=3 6988 B14R1.598 CCCC(=O)COC1CCCCC1Cl 7a_100000038908_100000747444 [0,0,0,1,0,0|3,0,0]=4 6989 B14R1.598 CCCC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747444 [0,0,0,1,0,0|3,0,0]=4 6990 B14R1.598 CCCC(=O)CSC1CCCCC1F 62a_100000747444_100015423560 [0,0,0,1,0,0|3,0,0]=4 6991 B14R1.598 CCCC(=O)CSC1CCCCC1F 62a_100015423560_100000747444 [0,0,0,1,0,0|3,0,0]=4 6992 B14R1.598 CCCC(=O)CSC1CCCCC1O 62a_100000038908_100000747444 [0,0,0,1,0,0|3,0,0]=4 6993 B14R1.598 CCCC(=O)CSC1CCCCC1O 62a_100000747444_100000038908 [0,0,0,1,0,0|3,0,0]=4 6994 B14R1.598 CCCC(=O)NCC1CCCCC1O 240690a_100011216029_100000211992 [0,0,0,1,0,0|3,0,0]=4 6995 B14R1.598 CCCC(=O)NCC1CCCCC1O 527a_100011216029_100000211992 [0,0,0,1,0,0|3,0,0]=4 6996 B14R1.598 CCCC(=O)NCC1CCCCN1C 240690a_100011228421_100000211992 [0,0,0,1,0,0|3,0,0]=4 6997 B14R1.598 CCCC(=O)NCC1CCCCN1C 527a_100011228421_100000211992 [0,0,0,1,0,0|3,0,0]=4 6998 B14R1.598 CCCC(=O)OCN1CCCCC1C 2230a_100000211376_100000034017 [0,0,0,1,0,0|3,0,0]=4 6999 B14R1.598 CCCC(=O)OCN1CCCCC1C 269982a_100000211376_100000034017 [0,0,0,1,0,0|3,0,0]=4 7000 B14R1.598 CCCC(=O)OCN1CCCCC1C 34a_100000211376_100000034017 [0,0,0,1,0,0|3,0,0]=4 7001 B14R1.598 CCNC(=O)CCC1CCCCN1C 240690a_100015525214_100000718493 [0,0,0,1,0,0|2,0,0]=3 7002 B14R1.598 CCNC(=O)CCC1CCCCN1C 527a_100015525214_100000718493 [0,0,0,1,0,0|2,0,0]=3 7003 B14R1.598 CCNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737597 [0,0,0,1,0,0|2,0,0]=3 7004 B14R1.598 CCNC(=O)CCN1CCCCC1C 240690a_100015525214_100000727554 [0,0,0,1,0,0|2,0,0]=3 7005 B14R1.598 CCNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737597 [0,0,0,1,0,0|2,0,0]=3 7006 B14R1.598 CCNC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000737597 [0,0,0,1,0,0|3,0,0]=4 7007 B14R1.598 CCNC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000737597 [0,0,0,1,0,0|3,0,0]=4 7008 B14R1.598 CCNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183381 [0,0,0,1,0,0|2,0,0]=3 7009 B14R1.598 CCNC(=O)CNC1CCCCC1C 270004a_100016988866_100000210921 [0,0,0,1,0,0|2,0,0]=3 7010 B14R1.598 CCNC(=O)CNC1CCCCC1C 34a_100000211402_100000183381 [0,0,0,1,0,0|2,0,0]=3 7011 B14R1.598 CCNC(=O)CNC1CCNCC1C 270004a_100016988866_100000703950 [0,0,0,1,0,0|3,0,0]=4 7012 B14R1.598 CCNC(=O)CNC1CCOCC1C 270004a_100016988866_100000755695 [0,0,0,1,0,0|3,0,0]=4 7013 B14R1.598 CCNC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000183381 [0,0,0,1,0,0|3,0,0]=4 7014 B14R1.598 CCNC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000183381 [0,0,0,1,0,0|3,0,0]=4 7015 B14R1.598 CCNC(=O)COC1CCCCC1C 11a_100015525214_100011223357 [0,0,0,1,0,0|2,0,0]=3 7016 B14R1.598 CCNC(=O)COC1CCCCC1C 240690a_100015525214_100011223357 [0,0,0,1,0,0|2,0,0]=3 7017 B14R1.598 CCNC(=O)COC1CCCCC1C 34a_100000211207_100000183381 [0,0,0,1,0,0|2,0,0]=3 7018 B14R1.598 CCNC(=O)COC1CCCCC1C 527a_100015525214_100011223357 [0,0,0,1,0,0|2,0,0]=3 7019 B14R1.598 CCNC(=O)COC1CCCCC1C 7a_100000211207_100000183381 [0,0,0,1,0,0|2,0,0]=3 7020 B14R1.598 CCNC(=O)COC1CCCCC1Cl 34a_100000038908_100000183381 [0,0,0,1,0,0|3,0,0]=4 7021 B14R1.598 CCNC(=O)COC1CCCCC1Cl 7a_100000038908_100000183381 [0,0,0,1,0,0|3,0,0]=4 7022 B14R1.598 CCNC(=O)COC1CCNCC1C 34a_100011998114_100000183381 [0,0,0,1,0,0|3,0,0]=4 7023 B14R1.598 CCNC(=O)COC1CNCCC1C 34a_100000696640_100000183381 [0,0,0,1,0,0|3,0,0]=4 7024 B14R1.598 CCNC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000183381 [0,0,0,1,0,0|3,0,0]=4 7025 B14R1.598 CCNC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000183381 [0,0,0,1,0,0|3,0,0]=4 7026 B14R1.598 CCNC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000183381 [0,0,0,1,0,0|3,0,0]=4 7027 B14R1.598 CCNC(=O)CSC1CCCCC1F 62a_100000183381_100015423560 [0,0,0,1,0,0|3,0,0]=4 7028 B14R1.598 CCNC(=O)CSC1CCCCC1F 62a_100015423560_100000183381 [0,0,0,1,0,0|3,0,0]=4 7029 B14R1.598 CCNC(=O)CSC1CCCCC1O 62a_100000038908_100000183381 [0,0,0,1,0,0|3,0,0]=4 7030 B14R1.598 CCNC(=O)CSC1CCCCC1O 62a_100000183381_100000038908 [0,0,0,1,0,0|3,0,0]=4 7031 B14R1.598 CCNC(=O)NCC1CCCCC1O 2708a_100015525214_100011216029 [0,0,0,1,0,0|3,0,0]=4 7032 B14R1.598 CCNC(=O)NCC1CCCCC1O 273464a_100015525214_100011216029 [0,0,0,1,0,0|3,0,0]=4 7033 B14R1.598 CCNC(=O)NCC1CCCCC1O 512a_100015525214_100011216029 [0,0,0,1,0,0|3,0,0]=4 7034 B14R1.598 CCNC(=O)NCC1CCCCN1C 2708a_100011228421_100015525214 [0,0,0,1,0,0|3,0,0]=4 7035 B14R1.598 CCNC(=O)NCC1CCCCN1C 2708a_100015525214_100011228421 [0,0,0,1,0,0|3,0,0]=4 7036 B14R1.598 CCNC(=O)NCC1CCCCN1C 273464a_100011228421_100015525214 [0,0,0,1,0,0|3,0,0]=4 7037 B14R1.598 CCNC(=O)NCC1CCCCN1C 273464a_100015525214_100011228421 [0,0,0,1,0,0|3,0,0]=4 7038 B14R1.598 CCNC(=O)NCC1CCCCN1C 512a_100011228421_100015525214 [0,0,0,1,0,0|3,0,0]=4 7039 B14R1.598 CCNC(=O)NCC1CCCCN1C 512a_100015525214_100011228421 [0,0,0,1,0,0|3,0,0]=4 7040 B14R1.598 CCOC(=O)CCN1CCCCC1C 2230a_100000211376_100011206558 [0,0,0,1,0,0|1,0,0]=2 7041 B14R1.598 CCOC(=O)CCN1CCCCC1C 269982a_100000211376_100011206558 [0,0,0,1,0,0|1,0,0]=2 7042 B14R1.598 CCOC(=O)CCN1CCCCC1C 34a_100000211376_100000765890 [0,0,0,1,0,0|1,0,0]=2 7043 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100011206558 [0,0,0,1,0,0|2,0,0]=3 7044 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100011206558 [0,0,0,1,0,0|2,0,0]=3 7045 B14R1.598 CCOC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000765890 [0,0,0,1,0,0|2,0,0]=3 7046 B14R1.598 CCOC(=O)CNC1CCCCC1C 2230a_100000211402_100000188475 [0,0,0,1,0,0|1,0,0]=2 7047 B14R1.598 CCOC(=O)CNC1CCCCC1C 34a_100000211402_100000188475 [0,0,0,1,0,0|1,0,0]=2 7048 B14R1.598 CCOC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000188475 [0,0,0,1,0,0|2,0,0]=3 7049 B14R1.598 CCOC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000188475 [0,0,0,1,0,0|2,0,0]=3 7050 B14R1.598 CCOC(=O)CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100000188475 [0,0,0,1,0,0|3,0,0]=4 7051 B14R1.598 CCOC(=O)CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100000188475 [0,0,0,1,0,0|3,0,0]=4 7052 B14R1.598 CCOC(=O)CN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000188475 [0,0,0,1,0,0|3,0,0]=4 7053 B14R1.598 CCOC(=O)CN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000188475 [0,0,0,1,0,0|3,0,0]=4 7054 B14R1.598 CCOC(=O)COC1CCCCC1=O 34a_100011214950_100000188475 [0,0,0,1,0,0|2,0,1]=4 7055 B14R1.598 CCOC(=O)COC1CCCCC1C 34a_100000211207_100000188475 [0,0,0,1,0,0|1,0,0]=2 7056 B14R1.598 CCOC(=O)COC1CCCCC1C 7a_100000211207_100000188475 [0,0,0,1,0,0|1,0,0]=2 7057 B14R1.598 CCOC(=O)COC1CCCCC1Cl 34a_100000038908_100000188475 [0,0,0,1,0,0|2,0,0]=3 7058 B14R1.598 CCOC(=O)COC1CCCCC1Cl 7a_100000038908_100000188475 [0,0,0,1,0,0|2,0,0]=3 7059 B14R1.598 CCOC(=O)COC1CCNCC1C 34a_100011998114_100000188475 [0,0,0,1,0,0|2,0,0]=3 7060 B14R1.598 CCOC(=O)COC1CNCCC1C 34a_100000696640_100000188475 [0,0,0,1,0,0|2,0,0]=3 7061 B14R1.598 CCOC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000188475 [0,0,0,1,0,0|2,0,0]=3 7062 B14R1.598 CCOC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000188475 [0,0,0,1,0,0|2,0,0]=3 7063 B14R1.598 CCOC(=O)CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000188475 [0,0,0,1,0,0|3,0,0]=4 7064 B14R1.598 CCOC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000188475 [0,0,0,1,0,0|2,0,0]=3 7065 B14R1.598 CCOC(=O)CO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000188475 [0,0,0,1,0,0|3,0,0]=4 7066 B14R1.598 CCOC(=O)CO[C@H]1COCC[C@H]1N 34a_100016994285_100000188475 [0,0,0,1,0,0|3,0,0]=4 7067 B14R1.598 CCOC(=O)CSC1CCCCC1=O 62a_100000188475_100000204591 [0,0,0,1,0,0|2,0,1]=4 7068 B14R1.598 CCOC(=O)CSC1CCCCC1=O 62a_100000204591_100000188475 [0,0,0,1,0,0|2,0,1]=4 7069 B14R1.598 CCOC(=O)CSC1CCCCC1F 62a_100000188475_100015423560 [0,0,0,1,0,0|2,0,0]=3 7070 B14R1.598 CCOC(=O)CSC1CCCCC1F 62a_100015423560_100000188475 [0,0,0,1,0,0|2,0,0]=3 7071 B14R1.598 CCOC(=O)CSC1CCCCC1O 62a_100000038908_100000188475 [0,0,0,1,0,0|2,0,0]=3 7072 B14R1.598 CCOC(=O)CSC1CCCCC1O 62a_100000188475_100000038908 [0,0,0,1,0,0|2,0,0]=3 7073 B14R1.598 CN1CCCCC1CCC(=O)CCF 1458a_100000718493_100011217306 [0,0,0,1,0,0|3,0,0]=4 7074 B14R1.598 CN1CCCCC1CCC(=O)CCO 1458a_100000718493_100000211926 [0,0,0,1,0,0|3,0,0]=4 7075 B14R1.598 CN1CCCCC1CCC(=O)CCO 1458a_100011216618_100000211948 [0,0,0,1,0,0|3,0,0]=4 7076 B14R1.598 CNNC(=O)CCC1CCCCN1C 22a_100016993582_100000718493 [0,0,0,1,0,0|3,0,0]=4 7077 B14R1.598 CNNC(=O)CCN1CCCCC1C 22a_100016993582_100000727554 [0,0,0,1,0,0|3,0,0]=4 7078 B14R1.598 CNNC(=O)COC1CCCCC1C 22a_100016993582_100011223357 [0,0,0,1,0,0|3,0,0]=4 7079 B14R1.598 COCC(=O)CCC1CCCCN1C 1458a_100000210968_100000211948 [0,0,0,1,0,0|3,0,0]=4 7080 B14R1.598 CSCC(=O)CCC1CCCCN1C 1458a_100000184570_100000211948 [0,0,0,1,0,0|3,0,0]=4 7081 B14R1.609 C=COC(=O)CNCCC1CCCC1 2230a_100000739158_100000036128 [0,0,0,1,0,0|1,0,2]=4 7082 B14R1.609 C=COC(=O)CNCCC1CCCC1 34a_100000739158_100000036128 [0,0,0,1,0,0|1,0,2]=4 7083 B14R1.609 C=COC(=O)COCCC1CCCC1 34a_100000749090_100000036128 [0,0,0,1,0,0|1,0,2]=4 7084 B14R1.609 C=COC(=O)CSCCC1CCCC1 62a_100000036128_100000760354 [0,0,0,1,0,0|1,0,2]=4 7085 B14R1.609 C=COC(=O)CSCCC1CCCC1 62a_100000760354_100000036128 [0,0,0,1,0,0|1,0,2]=4 7086 B14R1.609 CC=CC(=O)NCCCC1CCCC1 11a_100000736752_100000210699 [0,0,0,1,0,0|2,0,1]=4 7087 B14R1.609 CC=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000210699 [0,0,0,1,0,0|2,0,1]=4 7088 B14R1.609 CC=CC(=O)NCCCC1CCCC1 240690a_100000736752_100000210699 [0,0,0,1,0,0|2,0,1]=4 7089 B14R1.609 CCCC(=O)CCCCC1OCCO1 1458a_100000211992_100000034956 [0,0,0,1,0,0|3,0,0]=4 7090 B14R1.609 CCCC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_100000210303 [0,0,0,1,0,0|3,0,0]=4 7091 B14R1.609 CCCC(=O)CNCCC1CCCC1 2230a_100000739158_100000747444 [0,0,0,1,0,0|2,0,0]=3 7092 B14R1.609 CCCC(=O)COCCC1CCCC1 7a_100000749090_100000747444 [0,0,0,1,0,0|2,0,0]=3 7093 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000747444_100000760354 [0,0,0,1,0,0|2,0,0]=3 7094 B14R1.609 CCCC(=O)CSCCC1CCCC1 62a_100000760354_100000747444 [0,0,0,1,0,0|2,0,0]=3 7095 B14R1.609 CCCC(=O)CSCCN1CCCC1 1458a_200015187850_100000210303 [0,0,0,1,0,0|3,0,0]=4 7096 B14R1.609 CCCC(=O)CSCCN1CCCC1 62a_100000700749_100000747444 [0,0,0,1,0,0|3,0,0]=4 7097 B14R1.609 CCCC(=O)CSCCN1CCCC1 62a_100000747444_100000004467 [0,0,0,1,0,0|3,0,0]=4 7098 B14R1.609 CCCC(=O)NCCCC1CCCC1 11a_100000736752_100000211992 [0,0,0,1,0,0|2,0,0]=3 7099 B14R1.609 CCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000211992 [0,0,0,1,0,0|2,0,0]=3 7100 B14R1.609 CCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000211992 [0,0,0,1,0,0|2,0,0]=3 7101 B14R1.609 CCCC(=O)NCCCC1CCCC1 527a_100000736752_100000211992 [0,0,0,1,0,0|2,0,0]=3 7102 B14R1.609 CCCC(=O)NCCCN1CCCC1 240690a_100000204695_100000211992 [0,0,0,1,0,0|3,0,0]=4 7103 B14R1.609 CCCC(=O)NCCOC1CCCC1 11a_100000741755_100000211992 [0,0,0,1,0,0|3,0,0]=4 7104 B14R1.609 CCCC(=O)NCCOC1CCCC1 1626a_100000741755_100000211992 [0,0,0,1,0,0|3,0,0]=4 7105 B14R1.609 CCCC(=O)NCCOC1CCCC1 240690a_100000741755_100000211992 [0,0,0,1,0,0|3,0,0]=4 7106 B14R1.609 CCCC(=O)NCCOC1CCCC1 527a_100000741755_100000211992 [0,0,0,1,0,0|3,0,0]=4 7107 B14R1.609 CCCC(=O)OCNCC1CCCC1 2230a_100000737975_100000034017 [0,0,0,1,0,0|3,0,0]=4 7108 B14R1.609 CCCC(=O)OCNCC1CCCC1 34a_100000737975_100000034017 [0,0,0,1,0,0|3,0,0]=4 7109 B14R1.609 CCCC(=O)OCOCC1CCCC1 34a_100000742336_100000034017 [0,0,0,1,0,0|3,0,0]=4 7110 B14R1.609 CCCC(=O)OCSCC1CCCC1 62a_100000740388_100000034017 [0,0,0,1,0,0|3,0,0]=4 7111 B14R1.609 CCNC(=O)CCCC[C@@H]1CCSS1 11a_100015525214_100009816572 [0,0,0,1,0,0|3,0,0]=4 7112 B14R1.609 CCNC(=O)CCCC[C@@H]1CCSS1 240690a_100015525214_100009816572 [0,0,0,1,0,0|3,0,0]=4 7113 B14R1.609 CCNC(=O)CCCC[C@@H]1CCSS1 527a_100015525214_100009816572 [0,0,0,1,0,0|3,0,0]=4 7114 B14R1.609 CCNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737597 [0,0,0,1,0,0|2,0,0]=3 7115 B14R1.609 CCNC(=O)CCNCC1CCCC1 269862a_100025743525_100000746403 [0,0,0,1,0,0|2,0,0]=3 7116 B14R1.609 CCNC(=O)CCNCC1CCCC1 34a_100025743525_100000740388 [0,0,0,1,0,0|2,0,0]=3 7117 B14R1.609 CCNC(=O)CCNCC1CCOC1 2230a_100000737293_100000737597 [0,0,0,1,0,0|3,0,0]=4 7118 B14R1.609 CCNC(=O)CCNCC1CCOC1 34a_100025743525_100011261433 [0,0,0,1,0,0|3,0,0]=4 7119 B14R1.609 CCNC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000737597 [0,0,0,1,0,0|3,0,0]=4 7120 B14R1.609 CCNC(=O)CCOCC1CCCC1 7a_100000742336_100000737597 [0,0,0,1,0,0|2,0,0]=3 7121 B14R1.609 CCNC(=O)CCOCC1CCCO1 7a_100000210270_100000737597 [0,0,0,1,0,0|3,0,0]=4 7122 B14R1.609 CCNC(=O)CCSCC1CCCC1 62a_100000737597_100000740388 [0,0,0,1,0,0|2,0,0]=3 7123 B14R1.609 CCNC(=O)CCSCC1CCCC1 62a_100000740388_100000737597 [0,0,0,1,0,0|2,0,0]=3 7124 B14R1.609 CCNC(=O)CCSCC1CCCO1 62a_100000203698_100000737597 [0,0,0,1,0,0|3,0,0]=4 7125 B14R1.609 CCNC(=O)CCSCC1CCCO1 62a_100000737597_100000203698 [0,0,0,1,0,0|3,0,0]=4 7126 B14R1.609 CCNC(=O)CCSCC1CCOC1 62a_100000702531_100000737597 [0,0,0,1,0,0|3,0,0]=4 7127 B14R1.609 CCNC(=O)CCSCC1CCOC1 62a_100000737597_100000702531 [0,0,0,1,0,0|3,0,0]=4 7128 B14R1.609 CCNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183381 [0,0,0,1,0,0|2,0,0]=3 7129 B14R1.609 CCNC(=O)CNCCC1CCCC1 2230a_100016988866_100000760354 [0,0,0,1,0,0|2,0,0]=3 7130 B14R1.609 CCNC(=O)CNCCC1CCCC1 34a_100000739158_100000183381 [0,0,0,1,0,0|2,0,0]=3 7131 B14R1.609 CCNC(=O)COCCC1CCCC1 34a_100000749090_100000183381 [0,0,0,1,0,0|2,0,0]=3 7132 B14R1.609 CCNC(=O)COCCC1CCCC1 7a_100000749090_100000183381 [0,0,0,1,0,0|2,0,0]=3 7133 B14R1.609 CCNC(=O)COCCC1CCNC1 34a_100016987287_100000183381 [0,0,0,1,0,0|3,0,0]=4 7134 B14R1.609 CCNC(=O)COCCC1CCOC1 34a_100011879284_100000183381 [0,0,0,1,0,0|3,0,0]=4 7135 B14R1.609 CCNC(=O)CSCCC1CCCC1 62a_100000183381_100000760354 [0,0,0,1,0,0|2,0,0]=3 7136 B14R1.609 CCNC(=O)CSCCC1CCCC1 62a_100000760354_100000183381 [0,0,0,1,0,0|2,0,0]=3 7137 B14R1.609 CCNC(=O)CSCCN1CCCC1 11a_100015525214_200015187850 [0,0,0,1,0,0|3,0,0]=4 7138 B14R1.609 CCNC(=O)CSCCN1CCCC1 240690a_100015525214_200015187850 [0,0,0,1,0,0|3,0,0]=4 7139 B14R1.609 CCNC(=O)CSCCN1CCCC1 62a_100000183381_100000004467 [0,0,0,1,0,0|3,0,0]=4 7140 B14R1.609 CCNC(=O)CSCCN1CCCC1 62a_100000700749_100000183381 [0,0,0,1,0,0|3,0,0]=4 7141 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100000736752_100015525214 [0,0,0,1,0,0|2,0,0]=3 7142 B14R1.609 CCNC(=O)NCCCC1CCCC1 2708a_100015525214_100000736752 [0,0,0,1,0,0|2,0,0]=3 7143 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100000736752_100015525214 [0,0,0,1,0,0|2,0,0]=3 7144 B14R1.609 CCNC(=O)NCCCC1CCCC1 273464a_100015525214_100000736752 [0,0,0,1,0,0|2,0,0]=3 7145 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100000736752_100015525214 [0,0,0,1,0,0|2,0,0]=3 7146 B14R1.609 CCNC(=O)NCCCC1CCCC1 512a_100015525214_100000736752 [0,0,0,1,0,0|2,0,0]=3 7147 B14R1.609 CCNC(=O)NCCCN1CCCC1 2708a_100000204695_100015525214 [0,0,0,1,0,0|3,0,0]=4 7148 B14R1.609 CCNC(=O)NCCCN1CCCC1 2708a_100015525214_100000204695 [0,0,0,1,0,0|3,0,0]=4 7149 B14R1.609 CCNC(=O)NCCCN1CCCC1 273464a_100000204695_100015525214 [0,0,0,1,0,0|3,0,0]=4 7150 B14R1.609 CCNC(=O)NCCCN1CCCC1 273464a_100015525214_100000204695 [0,0,0,1,0,0|3,0,0]=4 7151 B14R1.609 CCNC(=O)NCCOC1CCCC1 2708a_100000741755_100015525214 [0,0,0,1,0,0|3,0,0]=4 7152 B14R1.609 CCNC(=O)NCCOC1CCCC1 2708a_100015525214_100000741755 [0,0,0,1,0,0|3,0,0]=4 7153 B14R1.609 CCNC(=O)NCCOC1CCCC1 273464a_100000741755_100015525214 [0,0,0,1,0,0|3,0,0]=4 7154 B14R1.609 CCNC(=O)NCCOC1CCCC1 273464a_100015525214_100000741755 [0,0,0,1,0,0|3,0,0]=4 7155 B14R1.609 CCNC(=O)NCCOC1CCCC1 512a_100000741755_100015525214 [0,0,0,1,0,0|3,0,0]=4 7156 B14R1.609 CCNC(=O)NCCOC1CCCC1 512a_100015525214_100000741755 [0,0,0,1,0,0|3,0,0]=4 7157 B14R1.609 CCOC(=O)/C=C/CNC1CCCC1 2230a_100000211070_100016267167 [0,0,0,1,0,0|1,0,2]=4 7158 B14R1.609 CCOC(=O)/C=C/CNC1CCCC1 34a_100000211070_100016267167 [0,0,0,1,0,0|1,0,2]=4 7159 B14R1.609 CCOC(=O)/C=C/COC1CCCC1 34a_100000210269_100016267167 [0,0,0,1,0,0|1,0,2]=4 7160 B14R1.609 CCOC(=O)/C=C/COC1CCCC1 7a_100000210269_100016267167 [0,0,0,1,0,0|1,0,2]=4 7161 B14R1.609 CCOC(=O)/C=C/CSC1CCCC1 62a_100011217020_100016267167 [0,0,0,1,0,0|1,0,2]=4 7162 B14R1.609 CCOC(=O)/C=C/CSC1CCCC1 62a_100016267167_100000179811 [0,0,0,1,0,0|1,0,2]=4 7163 B14R1.609 CCOC(=O)CCCCN1CC=CC1 269982a_100015195280_100000750268 [0,0,0,1,0,0|1,0,2]=4 7164 B14R1.609 CCOC(=O)CCCCN1CCCC1 2230a_100000188435_100000750268 [0,0,0,1,0,0|1,0,0]=2 7165 B14R1.609 CCOC(=O)CCCCN1CCCC1 269982a_100000188435_100000750268 [0,0,0,1,0,0|1,0,0]=2 7166 B14R1.609 CCOC(=O)CCCCN1CCSC1 2230a_100011215254_100000750268 [0,0,0,1,0,0|2,0,0]=3 7167 B14R1.609 CCOC(=O)CCCCN1CCSC1 269982a_100011215254_100000750268 [0,0,0,1,0,0|2,0,0]=3 7168 B14R1.609 CCOC(=O)CCCNC1CC=CC1 2230a_100015188752_100009991533 [0,0,0,1,0,0|1,0,2]=4 7169 B14R1.609 CCOC(=O)CCCNC1CCCC1 2230a_100000211070_100009991533 [0,0,0,1,0,0|1,0,0]=2 7170 B14R1.609 CCOC(=O)CCCNC1CCCC1 34a_100000211070_100009991533 [0,0,0,1,0,0|1,0,0]=2 7171 B14R1.609 CCOC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100009991533 [0,0,0,1,0,0|2,0,0]=3 7172 B14R1.609 CCOC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100009991533 [0,0,0,1,0,0|2,0,0]=3 7173 B14R1.609 CCOC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100009991533 [0,0,0,1,0,0|2,0,0]=3 7174 B14R1.609 CCOC(=O)CCCOC1CCCC1 34a_100000210269_100009991533 [0,0,0,1,0,0|1,0,0]=2 7175 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100000210269_100011215271 [0,0,0,1,0,0|1,0,0]=2 7176 B14R1.609 CCOC(=O)CCCOC1CCCC1 7a_100012001163_100000179811 [0,0,0,1,0,0|1,0,0]=2 7177 B14R1.609 CCOC(=O)CCCOC1CCCO1 34a_100000085407_100009991533 [0,0,0,1,0,0|2,0,0]=3 7178 B14R1.609 CCOC(=O)CCCOC1CCOC1 7a_100012001163_100000731011 [0,0,0,1,0,0|2,0,0]=3 7179 B14R1.609 CCOC(=O)CCCOC1CCSC1 7a_100011232664_100011215271 [0,0,0,1,0,0|2,0,0]=3 7180 B14R1.609 CCOC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100009991533 [0,0,0,1,0,0|2,0,0]=3 7181 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100009991533_100000179811 [0,0,0,1,0,0|1,0,0]=2 7182 B14R1.609 CCOC(=O)CCCSC1CCCC1 62a_100011217020_100009991533 [0,0,0,1,0,0|1,0,0]=2 7183 B14R1.609 CCOC(=O)CCCSC1CCOC1 62a_100009991533_100000690089 [0,0,0,1,0,0|2,0,0]=3 7184 B14R1.609 CCOC(=O)CCNCC1CCCC1 2230a_100000737975_100011206558 [0,0,0,1,0,0|1,0,0]=2 7185 B14R1.609 CCOC(=O)CCNCC1CCCC1 34a_100000737975_100000765890 [0,0,0,1,0,0|1,0,0]=2 7186 B14R1.609 CCOC(=O)CCNCC1CCOC1 2230a_100000737293_100011206558 [0,0,0,1,0,0|2,0,0]=3 7187 B14R1.609 CCOC(=O)CCNCC1CCOC1 34a_100000737293_100000765890 [0,0,0,1,0,0|2,0,0]=3 7188 B14R1.609 CCOC(=O)CCNCC1OCCO1 2230a_100000036311_100011206558 [0,0,0,1,0,0|3,0,0]=4 7189 B14R1.609 CCOC(=O)CCNCC1OCCO1 34a_100000036311_100000765890 [0,0,0,1,0,0|3,0,0]=4 7190 B14R1.609 CCOC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100011206558 [0,0,0,1,0,0|2,0,0]=3 7191 B14R1.609 CCOC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000765890 [0,0,0,1,0,0|2,0,0]=3 7192 B14R1.609 CCOC(=O)CCOCC1CC=CC1 34a_100000688395_100000765890 [0,0,0,1,0,0|1,0,2]=4 7193 B14R1.609 CCOC(=O)CCOCC1CCCC1 34a_100000742336_100000765890 [0,0,0,1,0,0|1,0,0]=2 7194 B14R1.609 CCOC(=O)CCOCC1CCCC1 7a_100000742336_100011206558 [0,0,0,1,0,0|1,0,0]=2 7195 B14R1.609 CCOC(=O)CCOCC1CCCO1 34a_100000210270_100000765890 [0,0,0,1,0,0|2,0,0]=3 7196 B14R1.609 CCOC(=O)CCOCC1CCCO1 7a_100000210270_100011206558 [0,0,0,1,0,0|2,0,0]=3 7197 B14R1.609 CCOC(=O)CCOCC1CCNC1 34a_100000748654_100000765890 [0,0,0,1,0,0|2,0,0]=3 7198 B14R1.609 CCOC(=O)CCOCC1CCOC1 34a_100000740260_100000765890 [0,0,0,1,0,0|2,0,0]=3 7199 B14R1.609 CCOC(=O)CCOCC1COCO1 34a_100011216627_100000765890 [0,0,0,1,0,0|3,0,0]=4 7200 B14R1.609 CCOC(=O)CCOCC1OCCO1 34a_100000087154_100000765890 [0,0,0,1,0,0|3,0,0]=4 7201 B14R1.609 CCOC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000765890 [0,0,0,1,0,0|2,0,0]=3 7202 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000740388_100000765890 [0,0,0,1,0,0|1,0,0]=2 7203 B14R1.609 CCOC(=O)CCSCC1CCCC1 62a_100000765890_100000740388 [0,0,0,1,0,0|1,0,0]=2 7204 B14R1.609 CCOC(=O)CCSCC1CCCO1 62a_100000203698_100000765890 [0,0,0,1,0,0|2,0,0]=3 7205 B14R1.609 CCOC(=O)CCSCC1CCCO1 62a_100000765890_100000203698 [0,0,0,1,0,0|2,0,0]=3 7206 B14R1.609 CCOC(=O)CCSCC1CCOC1 62a_100000702531_100000765890 [0,0,0,1,0,0|2,0,0]=3 7207 B14R1.609 CCOC(=O)CCSCC1CCOC1 62a_100000765890_100000702531 [0,0,0,1,0,0|2,0,0]=3 7208 B14R1.609 CCOC(=O)CCSCC1OCCO1 62a_100000755774_100000765890 [0,0,0,1,0,0|3,0,0]=4 7209 B14R1.609 CCOC(=O)CCSCC1OCCO1 62a_100000765890_100000755774 [0,0,0,1,0,0|3,0,0]=4 7210 B14R1.609 CCOC(=O)CNCCC1CCCC1 2230a_100000739158_100000188475 [0,0,0,1,0,0|1,0,0]=2 7211 B14R1.609 CCOC(=O)CNCCC1CCCC1 34a_100000739158_100000188475 [0,0,0,1,0,0|1,0,0]=2 7212 B14R1.609 CCOC(=O)CNCCC1OCCO1 2230a_100000034215_100000188475 [0,0,0,1,0,0|3,0,0]=4 7213 B14R1.609 CCOC(=O)CNCCC1OCCO1 34a_100000034215_100000188475 [0,0,0,1,0,0|3,0,0]=4 7214 B14R1.609 CCOC(=O)COCCC1CCCC1 34a_100000749090_100000188475 [0,0,0,1,0,0|1,0,0]=2 7215 B14R1.609 CCOC(=O)COCCC1CCCC1 7a_100000749090_100000188475 [0,0,0,1,0,0|1,0,0]=2 7216 B14R1.609 CCOC(=O)COCCC1CCNC1 34a_100016987287_100000188475 [0,0,0,1,0,0|2,0,0]=3 7217 B14R1.609 CCOC(=O)COCCC1CCOC1 34a_100011879284_100000188475 [0,0,0,1,0,0|2,0,0]=3 7218 B14R1.609 CCOC(=O)COCCN1CCCC1 2230a_100000188435_100000088970 [0,0,0,1,0,0|2,0,0]=3 7219 B14R1.609 CCOC(=O)COCCN1CCCC1 269982a_100000188435_100000088970 [0,0,0,1,0,0|2,0,0]=3 7220 B14R1.609 CCOC(=O)COCCN1CCSC1 2230a_100011215254_100000088970 [0,0,0,1,0,0|3,0,0]=4 7221 B14R1.609 CCOC(=O)COCCN1CCSC1 269982a_100011215254_100000088970 [0,0,0,1,0,0|3,0,0]=4 7222 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000188475_100000760354 [0,0,0,1,0,0|1,0,0]=2 7223 B14R1.609 CCOC(=O)CSCCC1CCCC1 62a_100000760354_100000188475 [0,0,0,1,0,0|1,0,0]=2 7224 B14R1.609 CCOC(=O)CSCCC1OCCO1 62a_100000188475_100000740749 [0,0,0,1,0,0|3,0,0]=4 7225 B14R1.609 CCOC(=O)CSCCN1CCCC1 62a_100000188475_100000004467 [0,0,0,1,0,0|2,0,0]=3 7226 B14R1.609 CCOC(=O)CSCCN1CCCC1 62a_100000700749_100000188475 [0,0,0,1,0,0|2,0,0]=3 7227 B14R1.609 CCOC(=O)NCCOC1CCCC1 34a_100000158857_100000179811 [0,0,0,1,0,0|2,0,0]=3 7228 B14R1.609 CCOC(=O)NCCOC1CCCC1 7a_100000210269_200011445536 [0,0,0,1,0,0|2,0,0]=3 7229 B14R1.609 CCOC(=O)NCCOC1CCOC1 34a_100000158857_100000690089 [0,0,0,1,0,0|3,0,0]=4 7230 B14R1.609 CCOC(=O)NCCOC1CCSC1 7a_100011232664_200011445536 [0,0,0,1,0,0|3,0,0]=4 7231 B14R1.609 CCOC(=O)NCCSC1CCCC1 62a_100011217020_200011445536 [0,0,0,1,0,0|2,0,0]=3 7232 B14R1.609 CCOC(=O)OCSCC1CCCC1 62a_100000740388_100000075025 [0,0,0,1,0,0|2,0,0]=3 7233 B14R1.609 CCOC(=O)OCSCC1CCCO1 62a_100000203698_100000075025 [0,0,0,1,0,0|3,0,0]=4 7234 B14R1.609 CCOC(=O)OCSCC1CCOC1 62a_100000702531_100000075025 [0,0,0,1,0,0|3,0,0]=4 7235 B14R1.609 CNNC(=O)NCCCC1CCCC1 273464a_100000736752_100016993582 [0,0,0,1,0,0|3,0,0]=4 7236 B14R1.609 CNNC(=O)NCCCC1CCCC1 512a_100000736752_100016993582 [0,0,0,1,0,0|3,0,0]=4 7237 B14R1.609 CNNC(=O)NCCCC1CCCC1 512a_100016993582_100000736752 [0,0,0,1,0,0|3,0,0]=4 7238 B14R1.609 COCC(=O)NCCCC1CCCC1 11a_100000736752_100000210968 [0,0,0,1,0,0|3,0,0]=4 7239 B14R1.609 COCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210968 [0,0,0,1,0,0|3,0,0]=4 7240 B14R1.609 COCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210968 [0,0,0,1,0,0|3,0,0]=4 7241 B14R1.609 COCC(=O)NCCCC1CCCC1 527a_100000736752_100000210968 [0,0,0,1,0,0|3,0,0]=4 7242 B14R1.609 CSCC(=O)NCCCC1CCCC1 11a_100000736752_100000184570 [0,0,0,1,0,0|3,0,0]=4 7243 B14R1.609 CSCC(=O)NCCCC1CCCC1 1626a_100000736752_100000184570 [0,0,0,1,0,0|3,0,0]=4 7244 B14R1.609 CSCC(=O)NCCCC1CCCC1 240690a_100000736752_100000184570 [0,0,0,1,0,0|3,0,0]=4 7245 B14R1.609 CSCC(=O)NCCCC1CCCC1 527a_100000736752_100000184570 [0,0,0,1,0,0|3,0,0]=4 7246 B14R1.609 O=C(CCO)NCCCC1CCCC1 240690a_100000736752_100011216618 [0,0,0,1,0,0|3,0,0]=4 7247 B14R1.609 O=C(CNCCC1CCCC1)NCO 2230a_100000739158_100000185155 [0,0,0,1,0,0|3,0,0]=4 7248 B14R1.609 O=C(CNCCC1CCCC1)NCO 34a_100000739158_100000185155 [0,0,0,1,0,0|3,0,0]=4 7249 B14R1.609 O=C(COCCC1CCCC1)NCO 34a_100000749090_100000185155 [0,0,0,1,0,0|3,0,0]=4 7250 B14R1.609 O=C(COCCC1CCCC1)NCO 7a_100000749090_100000185155 [0,0,0,1,0,0|3,0,0]=4 7251 B14R1.609 O=C(CSCCC1CCCC1)NCO 62a_100000185155_100000760354 [0,0,0,1,0,0|3,0,0]=4 7252 B14R1.609 O=C(CSCCC1CCCC1)NCO 62a_100000760354_100000185155 [0,0,0,1,0,0|3,0,0]=4 7253 B14R1.611 CCOC(=O)/C=C/COCC1CC1C 34a_100000744939_100016267167 [0,0,0,1,0,0|1,0,2]=4 7254 B14R1.611 CCOC(=O)/C=C/COCC1CC1C 7a_100000744939_100016267167 [0,0,0,1,0,0|1,0,2]=4 7255 B14R1.611 CCOC(=O)CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000750268 [0,0,0,1,0,0|2,0,0]=3 7256 B14R1.611 CCOC(=O)CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000750268 [0,0,0,1,0,0|2,0,0]=3 7257 B14R1.611 CCOC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000750268 [0,0,0,1,0,0|2,0,0]=3 7258 B14R1.611 CCOC(=O)CCCOCC1CC1C 34a_100000744939_100009991533 [0,0,0,1,0,0|1,0,0]=2 7259 B14R1.611 CCOC(=O)CCCOCC1CC1C 7a_100000744939_100011215271 [0,0,0,1,0,0|1,0,0]=2 7260 B14R1.611 CCOC(=O)COCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000088970 [0,0,0,1,0,0|3,0,0]=4 7261 B14R1.611 CCOC(=O)COCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000088970 [0,0,0,1,0,0|3,0,0]=4 7262 B14R1.611 CCOC(=O)COCCN[C@@H]1C[C@H]1F 34a_100025746932_100000088970 [0,0,0,1,0,0|3,0,0]=4 7263 B14R1.611 CCOC(=O)NCCOCC1CC1C 7a_100000744939_200011445536 [0,0,0,1,0,0|2,0,0]=3 7264 B14R1.612 CCOC(=O)/C=C/CNCC1CCC1 2230a_100000738700_100016267167 [0,0,0,1,0,0|1,0,2]=4 7265 B14R1.612 CCOC(=O)/C=C/CNCC1CCC1 34a_100000738700_100016267167 [0,0,0,1,0,0|1,0,2]=4 7266 B14R1.612 CCOC(=O)/C=C/COCC1CCC1 34a_100000760304_100016267167 [0,0,0,1,0,0|1,0,2]=4 7267 B14R1.612 CCOC(=O)/C=C/CSCC1CCC1 62a_100000763275_100016267167 [0,0,0,1,0,0|1,0,2]=4 7268 B14R1.612 CCOC(=O)/C=C/CSCC1CCC1 62a_100016267167_100000763275 [0,0,0,1,0,0|1,0,2]=4 7269 B14R1.612 CCOC(=O)CCCCCN1CCC1 269982a_100000754969_100000755133 [0,0,0,1,0,0|1,0,0]=2 7270 B14R1.612 CCOC(=O)CCCCNC1CCC1 2230a_100000749019_100000750268 [0,0,0,1,0,0|1,0,0]=2 7271 B14R1.612 CCOC(=O)CCCCNC1CCC1 34a_100000749019_100000750268 [0,0,0,1,0,0|1,0,0]=2 7272 B14R1.612 CCOC(=O)CCCCNC1COC1 2230a_100016991112_100000750268 [0,0,0,1,0,0|2,0,0]=3 7273 B14R1.612 CCOC(=O)CCCCOC1CCC1 34a_100000748187_100000750268 [0,0,0,1,0,0|1,0,0]=2 7274 B14R1.612 CCOC(=O)CCCCOC1CSC1 7a_100000072292_100000750268 [0,0,0,1,0,0|2,0,0]=3 7275 B14R1.612 CCOC(=O)CCCCSC1CCC1 62a_100000750268_100000749161 [0,0,0,1,0,0|1,0,0]=2 7276 B14R1.612 CCOC(=O)CCCCSC1COC1 62a_100000750268_100009818527 [0,0,0,1,0,0|2,0,0]=3 7277 B14R1.612 CCOC(=O)CCCNCC1CCC1 2230a_100000738700_100009991533 [0,0,0,1,0,0|1,0,0]=2 7278 B14R1.612 CCOC(=O)CCCNCC1CCC1 34a_100000738700_100009991533 [0,0,0,1,0,0|1,0,0]=2 7279 B14R1.612 CCOC(=O)CCCNCC1COC1 2230a_100015281925_100009991533 [0,0,0,1,0,0|2,0,0]=3 7280 B14R1.612 CCOC(=O)CCCNCC1COC1 34a_100015281925_100009991533 [0,0,0,1,0,0|2,0,0]=3 7281 B14R1.612 CCOC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100009991533 [0,0,0,1,0,0|2,0,0]=3 7282 B14R1.612 CCOC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100009991533 [0,0,0,1,0,0|2,0,0]=3 7283 B14R1.612 CCOC(=O)CCCOCC1CCC1 34a_100000760304_100009991533 [0,0,0,1,0,0|1,0,0]=2 7284 B14R1.612 CCOC(=O)CCCOCC1CCC1 7a_100012001163_100000763275 [0,0,0,1,0,0|1,0,0]=2 7285 B14R1.612 CCOC(=O)CCCOCC1CCO1 34a_100000039022_100009991533 [0,0,0,1,0,0|2,0,0]=3 7286 B14R1.612 CCOC(=O)CCCOCC1CCO1 7a_100012001163_100000103362 [0,0,0,1,0,0|2,0,0]=3 7287 B14R1.612 CCOC(=O)CCCOCC1CNC1 34a_100016987283_100009991533 [0,0,0,1,0,0|2,0,0]=3 7288 B14R1.612 CCOC(=O)CCCOCC1COC1 34a_100000060846_100009991533 [0,0,0,1,0,0|2,0,0]=3 7289 B14R1.612 CCOC(=O)CCCOCC1COC1 7a_100012001163_100010264016 [0,0,0,1,0,0|2,0,0]=3 7290 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100000763275_100009991533 [0,0,0,1,0,0|1,0,0]=2 7291 B14R1.612 CCOC(=O)CCCSCC1CCC1 62a_100009991533_100000763275 [0,0,0,1,0,0|1,0,0]=2 7292 B14R1.612 CCOC(=O)CCCSCC1CCO1 62a_100000103362_100009991533 [0,0,0,1,0,0|2,0,0]=3 7293 B14R1.612 CCOC(=O)CCCSCC1CCO1 62a_100009991533_100000103362 [0,0,0,1,0,0|2,0,0]=3 7294 B14R1.612 CCOC(=O)CCCSCC1COC1 62a_100009991533_100010264016 [0,0,0,1,0,0|2,0,0]=3 7295 B14R1.612 CCOC(=O)CCCSCC1COC1 62a_100010264016_100009991533 [0,0,0,1,0,0|2,0,0]=3 7296 B14R1.612 CCOC(=O)CCOCCC1COC1 34a_100009855314_100000765890 [0,0,0,1,0,0|2,0,0]=3 7297 B14R1.612 CCOC(=O)COCCCN1CCC1 269982a_100000754969_100009893628 [0,0,0,1,0,0|2,0,0]=3 7298 B14R1.612 CCOC(=O)COCCNC1CCC1 2230a_100000749019_100000088970 [0,0,0,1,0,0|2,0,0]=3 7299 B14R1.612 CCOC(=O)COCCNC1CCC1 34a_100000749019_100000088970 [0,0,0,1,0,0|2,0,0]=3 7300 B14R1.612 CCOC(=O)COCCNC1COC1 2230a_100016991112_100000088970 [0,0,0,1,0,0|3,0,0]=4 7301 B14R1.612 CCOC(=O)COCCOC1CCC1 34a_100000748187_100000088970 [0,0,0,1,0,0|2,0,0]=3 7302 B14R1.612 CCOC(=O)COCCOC1CSC1 7a_100000072292_100000088970 [0,0,0,1,0,0|3,0,0]=4 7303 B14R1.612 CCOC(=O)COCCSC1CCC1 62a_100000088970_100000749161 [0,0,0,1,0,0|2,0,0]=3 7304 B14R1.612 CCOC(=O)COCCSC1COC1 62a_100000088970_100009818527 [0,0,0,1,0,0|3,0,0]=4 7305 B14R1.612 CCOC(=O)CSCCOC1COC1 7a_200000230590_100009818527 [0,0,0,1,0,0|3,0,0]=4 7306 B14R1.612 CCOC(=O)NCCOCC1CCC1 34a_100000158857_100000763275 [0,0,0,1,0,0|2,0,0]=3 7307 B14R1.612 CCOC(=O)NCCOCC1CCO1 34a_100000158857_100000103362 [0,0,0,1,0,0|3,0,0]=4 7308 B14R1.612 CCOC(=O)NCCOCC1COC1 34a_100000158857_100010264016 [0,0,0,1,0,0|3,0,0]=4 7309 B14R1.612 CCOC(=O)NCCSCC1CCC1 62a_100000763275_200011445536 [0,0,0,1,0,0|2,0,0]=3 7310 B14R1.612 CCOC(=O)NCCSCC1CCO1 62a_100000103362_200011445536 [0,0,0,1,0,0|3,0,0]=4 7311 B14R1.612 CCOC(=O)NCCSCC1COC1 62a_100010264016_200011445536 [0,0,0,1,0,0|3,0,0]=4 7312 B14R1.635 C#CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000688953 [0,0,0,1,0,0|1,0,2]=4 7313 B14R1.635 C#CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000730999 [0,0,0,1,0,0|1,0,2]=4 7314 B14R1.635 C#CCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000038162 [0,0,0,1,0,0|1,0,2]=4 7315 B14R1.635 C/C=C/CN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100102629194 [0,0,0,1,0,0|1,0,2]=4 7316 B14R1.635 C=CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000754431 [0,0,0,1,0,0|1,0,2]=4 7317 B14R1.635 C=CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000754431 [0,0,0,1,0,0|1,0,2]=4 7318 B14R1.635 C=CCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100015514636 [0,0,0,1,0,0|1,0,2]=4 7319 B14R1.635 CC#CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000748600 [0,0,0,1,0,0|1,0,2]=4 7320 B14R1.635 CC=CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000070051 [0,0,0,1,0,0|1,0,2]=4 7321 B14R1.635 CCCCC1CCCC1N(C)CCC 270004a_100000747261_100000750825 [0,0,0,1,0,0|3,0,0]=4 7322 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210211 [0,0,0,1,0,0|2,0,0]=3 7323 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210211 [0,0,0,1,0,0|2,0,0]=3 7324 B14R1.635 CCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210210 [0,0,0,1,0,0|2,0,0]=3 7325 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210211 [0,0,0,1,0,0|1,0,0]=2 7326 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210211 [0,0,0,1,0,0|1,0,0]=2 7327 B14R1.635 CCCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210211 [0,0,0,1,0,0|2,0,0]=3 7328 B14R1.635 CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210303 [0,0,0,1,0,0|1,0,0]=2 7329 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCF 2230a_100020641767_100011934791 [0,0,0,1,0,0|3,0,0]=4 7330 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCF 269982a_100020641767_100011934791 [0,0,0,1,0,0|3,0,0]=4 7331 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCF 34a_100020641767_100011934791 [0,0,0,1,0,0|3,0,0]=4 7332 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCO 2230a_100020641767_100000230001 [0,0,0,1,0,0|3,0,0]=4 7333 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCO 269982a_100020641767_100011215043 [0,0,0,1,0,0|3,0,0]=4 7334 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCCO 34a_100020641767_100000230001 [0,0,0,1,0,0|3,0,0]=4 7335 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCOC 2230a_100020641767_100011201679 [0,0,0,1,0,0|3,0,0]=4 7336 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCOC 269982a_100020641767_100000233755 [0,0,0,1,0,0|3,0,0]=4 7337 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCOC 34a_100020641767_100011201679 [0,0,0,1,0,0|3,0,0]=4 7338 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCSC 2230a_100020641767_100000751147 [0,0,0,1,0,0|3,0,0]=4 7339 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCSC 269982a_100020641767_100000212216 [0,0,0,1,0,0|3,0,0]=4 7340 B14R1.635 CCNC(=O)[C@@H]1CCCN1CCSC 34a_100020641767_100000212216 [0,0,0,1,0,0|3,0,0]=4 7341 B14R1.635 CCNC(=O)[C@@H]1CCCN1COCC 269982a_100020641767_100000739092 [0,0,0,1,0,0|3,0,0]=4 7342 B14R1.635 CCNN=C1CCCC1C(=O)OCC 4a_100000756455_100000183750 [0,0,0,1,0,0|2,0,1]=4 7343 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCC#N 2230a_100000703725_100011215226 [0,0,0,1,0,0|2,0,1]=4 7344 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCC#N 269982a_100000703725_100011215226 [0,0,0,1,0,0|2,0,1]=4 7345 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCCF 2230a_100000703725_100011934791 [0,0,0,1,0,0|2,0,0]=3 7346 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCCF 269982a_100000703725_100011934791 [0,0,0,1,0,0|2,0,0]=3 7347 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCCO 2230a_100000703725_100000230001 [0,0,0,1,0,0|2,0,0]=3 7348 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCCO 269982a_100000703725_100011215043 [0,0,0,1,0,0|2,0,0]=3 7349 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCOC 2230a_100000703725_100011201679 [0,0,0,1,0,0|2,0,0]=3 7350 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCOC 269982a_100000703725_100000233755 [0,0,0,1,0,0|2,0,0]=3 7351 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCSC 2230a_100000703725_100000751147 [0,0,0,1,0,0|2,0,0]=3 7352 B14R1.635 CCOC(=O)[C@@H]1CCCN1CCSC 269982a_100000703725_100000212216 [0,0,0,1,0,0|2,0,0]=3 7353 B14R1.635 CCOC(=O)[C@@H]1CCC[C@@H]1OCC#N 7a_200015395474_100011215382 [0,0,0,1,0,0|2,0,1]=4 7354 B14R1.635 CCOC(=O)[C@@H]1CCC[C@@H]1OCC=O 7a_200015395474_200015260668 [0,0,0,1,0,0|2,0,1]=4 7355 B14R1.635 CCOC(=O)[C@@H]1CCC[C@@H]1OCCF 7a_200015395474_100011217306 [0,0,0,1,0,0|2,0,0]=3 7356 B14R1.635 CCOC(=O)[C@@H]1CCC[C@@H]1OCCO 7a_200015395474_100000211926 [0,0,0,1,0,0|2,0,0]=3 7357 B14R1.635 CCOC(=O)[C@@H]1CSCN1CCCF 269982a_100016989239_100011934791 [0,0,0,1,0,0|3,0,0]=4 7358 B14R1.635 CCOC(=O)[C@@H]1CSCN1CCCO 269982a_100016989239_100011215043 [0,0,0,1,0,0|3,0,0]=4 7359 B14R1.635 CCOC(=O)[C@@H]1CSCN1CCOC 269982a_100016989239_100000233755 [0,0,0,1,0,0|3,0,0]=4 7360 B14R1.635 CCOC(=O)[C@@H]1CSCN1CCSC 269982a_100016989239_100000212216 [0,0,0,1,0,0|3,0,0]=4 7361 B14R1.635 CCOCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000739092 [0,0,0,1,0,0|2,0,0]=3 7362 B14R1.635 CCOCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000739092 [0,0,0,1,0,0|3,0,0]=4 7363 B14R1.767 CCCCCCCCCN1CC(C1)C 2230a_100000702820_100011214924 [0,0,0,1,0,0|3,0,0]=4 7364 B14R1.767 CCCCCCCCCN1CC(C1)C 269982a_100000702820_100000210670 [0,0,0,1,0,0|3,0,0]=4 7365 B14R1.767 CCCCCCCCCN1CC(C1)C 34a_100000702820_100011214924 [0,0,0,1,0,0|3,0,0]=4 7366 B14R1.774 CCCCNCC1CCC(=CC1C)C 269862a_100000102301_100000075207 [0,0,0,1,0,0|3,0,0]=4 7367 B14R1.898 CCCCCN1CCCC(C1)OCC 2230a_100000745229_100000210326 [0,0,0,1,0,0|2,0,1]=4 7368 B14R1.898 CCCCCN1CCCC(C1)OCC 269982a_100000745229_100000210215 [0,0,0,1,0,0|2,0,1]=4 7369 B14R1.898 CCCCCN1CCCC(C1)OCC 34a_100000745229_100000718602 [0,0,0,1,0,0|2,0,1]=4 7370 B14R1.947 CCCC(=O)NCC1CCCN1CC 11a_100000211693_100000211992 [0,0,0,1,0,0|3,0,0]=4 7371 B14R1.947 CCCC(=O)NCC1CCCN1CC 1626a_100000211693_100000211992 [0,0,0,1,0,0|3,0,0]=4 7372 B14R1.947 CCCC(=O)NCC1CCCN1CC 240690a_100000211693_100000211992 [0,0,0,1,0,0|3,0,0]=4 7373 B14R1.947 CCCC(=O)NCC1CCCN1CC 527a_100000211693_100000211992 [0,0,0,1,0,0|3,0,0]=4 7374 B14R1.947 CCCC(=O)OCN1CCCC1CC 2230a_100000754278_100000034017 [0,0,0,1,0,0|3,0,0]=4 7375 B14R1.947 CCCC(=O)OCN1CCCC1CC 269982a_100000754278_100000034017 [0,0,0,1,0,0|3,0,0]=4 7376 B14R1.947 CCCC(=O)OCN1CCCC1CC 34a_100000754278_100000034017 [0,0,0,1,0,0|3,0,0]=4 7377 B14R1.947 CCNC(=O)CCN1CCCC1CC 2230a_100000754278_100000737597 [0,0,0,1,0,0|2,0,0]=3 7378 B14R1.947 CCNC(=O)CCN1CCCC1CC 269982a_100000754278_100000737597 [0,0,0,1,0,0|2,0,0]=3 7379 B14R1.947 CCNC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000737597 [0,0,0,1,0,0|3,0,0]=4 7380 B14R1.947 CCNC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000737597 [0,0,0,1,0,0|3,0,0]=4 7381 B14R1.947 CCNC(=O)CNC1CCCC1CC 270004a_100016988866_100000749056 [0,0,0,1,0,0|2,0,0]=3 7382 B14R1.947 CCNC(=O)NCC1CCCN1CC 2708a_100015525214_100000211693 [0,0,0,1,0,0|3,0,0]=4 7383 B14R1.947 CCNC(=O)NCC1CCCN1CC 273464a_100000211693_100015525214 [0,0,0,1,0,0|3,0,0]=4 7384 B14R1.947 CCNC(=O)NCC1CCCN1CC 273464a_100015525214_100000211693 [0,0,0,1,0,0|3,0,0]=4 7385 B14R1.947 CCNC(=O)NCC1CCCN1CC 512a_100000211693_100015525214 [0,0,0,1,0,0|3,0,0]=4 7386 B14R1.947 CCNC(=O)NCC1CCCN1CC 512a_100015525214_100000211693 [0,0,0,1,0,0|3,0,0]=4 7387 B14R1.947 CCOC(=O)CCN1CC=CC1CC 2230a_100000730860_100011206558 [0,0,0,1,0,0|1,0,2]=4 7388 B14R1.947 CCOC(=O)CCN1CC=CC1CC 269982a_100000730860_100011206558 [0,0,0,1,0,0|1,0,2]=4 7389 B14R1.947 CCOC(=O)CCN1CC=CC1CC 34a_100000730860_100000765890 [0,0,0,1,0,0|1,0,2]=4 7390 B14R1.947 CCOC(=O)CCN1CCCC1C#N 2230a_100000701862_100011206558 [0,0,0,1,0,0|2,0,1]=4 7391 B14R1.947 CCOC(=O)CCN1CCCC1CC 2230a_100000754278_100011206558 [0,0,0,1,0,0|1,0,0]=2 7392 B14R1.947 CCOC(=O)CCN1CCCC1CC 269982a_100000754278_100011206558 [0,0,0,1,0,0|1,0,0]=2 7393 B14R1.947 CCOC(=O)CCN1CCCC1CC 34a_100000754278_100000765890 [0,0,0,1,0,0|1,0,0]=2 7394 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1C#N 2230a_106645074975_100011206558 [0,0,0,1,0,0|2,0,1]=4 7395 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1C#N 269982a_106645074975_100011206558 [0,0,0,1,0,0|2,0,1]=4 7396 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100011206558 [0,0,0,1,0,0|2,0,0]=3 7397 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100011206558 [0,0,0,1,0,0|2,0,0]=3 7398 B14R1.947 CCOC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000765890 [0,0,0,1,0,0|2,0,0]=3 7399 B14R1.947 CCOC(=O)CO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000188475 [0,0,0,1,0,0|2,0,1]=4 7400 B14R1.947 CCOC(=O)CO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100000188475 [0,0,0,1,0,0|2,0,1]=4 7401 B14R1.948 CCCC(=O)NCCC1CCCN1C 240690a_100011219722_100000211992 [0,0,0,1,0,0|3,0,0]=4 7402 B14R1.948 CCCC(=O)NCCC1CCCN1C 527a_100011219722_100000211992 [0,0,0,1,0,0|3,0,0]=4 7403 B14R1.948 CCCC(=O)OCOC1CCCC1C 34a_100011216460_100000034017 [0,0,0,1,0,0|3,0,0]=4 7404 B14R1.948 CCNC(=O)CCNC1CCCC1C 269862a_100025743525_100000752053 [0,0,0,1,0,0|2,0,0]=3 7405 B14R1.948 CCNC(=O)CCNC1CCOC1C 270004a_100025743525_100000691750 [0,0,0,1,0,0|3,0,0]=4 7406 B14R1.948 CCNC(=O)CCOC1CCCC1C 7a_100011216460_100000737597 [0,0,0,1,0,0|2,0,0]=3 7407 B14R1.948 CCNC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000737597_200016002552 [0,0,0,1,0,0|3,0,0]=4 7408 B14R1.948 CCNC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000737597 [0,0,0,1,0,0|3,0,0]=4 7409 B14R1.948 CCNC(=O)COCC1CCCN1C 34a_100000743107_100000183381 [0,0,0,1,0,0|3,0,0]=4 7410 B14R1.948 CCNC(=O)NCCC1CCCN1C 2708a_100011219722_100015525214 [0,0,0,1,0,0|3,0,0]=4 7411 B14R1.948 CCNC(=O)NCCC1CCCN1C 2708a_100015525214_100011219722 [0,0,0,1,0,0|3,0,0]=4 7412 B14R1.948 CCNC(=O)NCCC1CCCN1C 273464a_100011219722_100015525214 [0,0,0,1,0,0|3,0,0]=4 7413 B14R1.948 CCNC(=O)NCCC1CCCN1C 273464a_100015525214_100011219722 [0,0,0,1,0,0|3,0,0]=4 7414 B14R1.948 CCNC(=O)NCCC1CCCN1C 512a_100011219722_100015525214 [0,0,0,1,0,0|3,0,0]=4 7415 B14R1.948 CCNC(=O)NCCC1CCCN1C 512a_100015525214_100011219722 [0,0,0,1,0,0|3,0,0]=4 7416 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@@H]1C 2230a_100020605311_100016267167 [0,0,0,1,0,0|1,0,2]=4 7417 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@@H]1C 269982a_100020605311_100016267167 [0,0,0,1,0,0|1,0,2]=4 7418 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 2230a_100015189458_100016267167 [0,0,0,1,0,0|1,0,2]=4 7419 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 269982a_100015189458_100016267167 [0,0,0,1,0,0|1,0,2]=4 7420 B14R1.948 CCOC(=O)/C=C/CN1CCC[C@H]1C 34a_100015189458_100016267167 [0,0,0,1,0,0|1,0,2]=4 7421 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100009991533 [0,0,0,1,0,0|1,0,0]=2 7422 B14R1.948 CCOC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100009991533 [0,0,0,1,0,0|1,0,0]=2 7423 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100009991533 [0,0,0,1,0,0|1,0,0]=2 7424 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100009991533 [0,0,0,1,0,0|1,0,0]=2 7425 B14R1.948 CCOC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100009991533 [0,0,0,1,0,0|1,0,0]=2 7426 B14R1.948 CCOC(=O)CCCN1CCSC1C 2230a_200011216479_100009991533 [0,0,0,1,0,0|2,0,0]=3 7427 B14R1.948 CCOC(=O)CCCN1CCSC1C 269982a_200011216479_100009991533 [0,0,0,1,0,0|2,0,0]=3 7428 B14R1.948 CCOC(=O)CCCN1CCSC1C 34a_200011216479_100009991533 [0,0,0,1,0,0|2,0,0]=3 7429 B14R1.948 CCOC(=O)CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100011206558 [0,0,0,1,0,0|3,0,0]=4 7430 B14R1.948 CCOC(=O)CCOC1CCCC1=O 34a_200000719330_100000765890 [0,0,0,1,0,0|2,0,1]=4 7431 B14R1.948 CCOC(=O)CCOC1CCCC1C 34a_100011216460_100000765890 [0,0,0,1,0,0|1,0,0]=2 7432 B14R1.948 CCOC(=O)CCOC1CCCC1C 7a_100011216460_100011206558 [0,0,0,1,0,0|1,0,0]=2 7433 B14R1.948 CCOC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000765890 [0,0,0,1,0,0|2,0,0]=3 7434 B14R1.948 CCOC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000765890 [0,0,0,1,0,0|2,0,0]=3 7435 B14R1.948 CCOC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000765890 [0,0,0,1,0,0|2,0,0]=3 7436 B14R1.948 CCOC(=O)CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000765890 [0,0,0,1,0,0|3,0,0]=4 7437 B14R1.948 CCOC(=O)CCSC1CCCC1=O 62a_100000211823_100000765890 [0,0,0,1,0,0|2,0,1]=4 7438 B14R1.948 CCOC(=O)CCSC1CCCC1=O 62a_100000765890_100000211823 [0,0,0,1,0,0|2,0,1]=4 7439 B14R1.948 CCOC(=O)CCSC1COCC1O 62a_100000765890_200000725654 [0,0,0,1,0,0|3,0,0]=4 7440 B14R1.948 CCOC(=O)CCSC1COCC1O 62a_200000725654_100000765890 [0,0,0,1,0,0|3,0,0]=4 7441 B14R1.948 CCOC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000765890_200016002552 [0,0,0,1,0,0|2,0,0]=3 7442 B14R1.948 CCOC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000765890 [0,0,0,1,0,0|2,0,0]=3 7443 B14R1.948 CCOC(=O)COCC1CCCN1C 34a_100000743107_100000188475 [0,0,0,1,0,0|2,0,0]=3 7444 B14R1.948 CCOC(=O)NCCN1CCC[C@@H]1C 269982a_100020605311_200011445536 [0,0,0,1,0,0|2,0,0]=3 7445 B14R1.948 CCOC(=O)NCCN1CCC[C@H]1C 269982a_100015189458_200011445536 [0,0,0,1,0,0|2,0,0]=3 7446 B14R1.948 CCOC(=O)NCCN1CCSC1C 269982a_200011216479_200011445536 [0,0,0,1,0,0|3,0,0]=4 7447 B14R1.948 CCOC(=O)OCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000075025 [0,0,0,1,0,0|3,0,0]=4 7448 B14R1.955 CCNC(=O)CCNCCCC1CO1 34a_100025743525_100000733510 [0,0,0,1,0,0|3,0,0]=4 7449 B14R1.955 CCNC(=O)CCSCCCC1CO1 62a_100000733510_100000737597 [0,0,0,1,0,0|3,0,0]=4 7450 B14R1.955 CCNC(=O)CCSCCCC1CO1 62a_100000737597_100000733510 [0,0,0,1,0,0|3,0,0]=4 7451 B14R1.955 CCOC(=O)/C=C/CNCCC1CC1 34a_100000764129_100016267167 [0,0,0,1,0,0|1,0,2]=4 7452 B14R1.955 CCOC(=O)/C=C/COCCC1CC1 34a_100000754188_100016267167 [0,0,0,1,0,0|1,0,2]=4 7453 B14R1.955 CCOC(=O)/C=C/COCCC1CC1 7a_100000754188_100016267167 [0,0,0,1,0,0|1,0,2]=4 7454 B14R1.955 CCOC(=O)/C=C/CSCCC1CC1 62a_100000764125_100016267167 [0,0,0,1,0,0|1,0,2]=4 7455 B14R1.955 CCOC(=O)/C=C/CSCCC1CC1 62a_100016267167_100000764125 [0,0,0,1,0,0|1,0,2]=4 7456 B14R1.955 CCOC(=O)CCCCCNC1CC1 34a_100000212008_100000755133 [0,0,0,1,0,0|1,0,0]=2 7457 B14R1.955 CCOC(=O)CCCCCSC1CC1 62a_100000755133_100000211595 [0,0,0,1,0,0|1,0,0]=2 7458 B14R1.955 CCOC(=O)CCCCNCC1CC1 2230a_100000735609_100000750268 [0,0,0,1,0,0|1,0,0]=2 7459 B14R1.955 CCOC(=O)CCCCNCC1CC1 34a_100000735609_100000750268 [0,0,0,1,0,0|1,0,0]=2 7460 B14R1.955 CCOC(=O)CCCCOCC1CC1 34a_100000211283_100000750268 [0,0,0,1,0,0|1,0,0]=2 7461 B14R1.955 CCOC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100000750268 [0,0,0,1,0,0|2,0,0]=3 7462 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000750268_100000742324 [0,0,0,1,0,0|1,0,0]=2 7463 B14R1.955 CCOC(=O)CCCCSCC1CC1 62a_100000756562_100000750268 [0,0,0,1,0,0|1,0,0]=2 7464 B14R1.955 CCOC(=O)CCCCSCC1CO1 62a_100000750268_102125554688 [0,0,0,1,0,0|2,0,0]=3 7465 B14R1.955 CCOC(=O)CCCCSCC1CO1 62a_102125554688_100000750268 [0,0,0,1,0,0|2,0,0]=3 7466 B14R1.955 CCOC(=O)CCCCSCC1CS1 62a_100000031435_100000750268 [0,0,0,1,0,0|2,0,0]=3 7467 B14R1.955 CCOC(=O)CCCCSCC1CS1 62a_100000750268_100000031435 [0,0,0,1,0,0|2,0,0]=3 7468 B14R1.955 CCOC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000750268 [0,0,0,1,0,0|2,0,0]=3 7469 B14R1.955 CCOC(=O)CCCCSC[C@@H]1CO1 62a_100000750268_100000745022 [0,0,0,1,0,0|2,0,0]=3 7470 B14R1.955 CCOC(=O)CCCNCCC1CC1 34a_100000764129_100009991533 [0,0,0,1,0,0|1,0,0]=2 7471 B14R1.955 CCOC(=O)CCCOCCC1CC1 34a_100000754188_100009991533 [0,0,0,1,0,0|1,0,0]=2 7472 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100000754188_100011215271 [0,0,0,1,0,0|1,0,0]=2 7473 B14R1.955 CCOC(=O)CCCOCCC1CC1 7a_100012001163_100000764125 [0,0,0,1,0,0|1,0,0]=2 7474 B14R1.955 CCOC(=O)CCCOCCC1CO1 7a_100012001163_100000732470 [0,0,0,1,0,0|2,0,0]=3 7475 B14R1.955 CCOC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100009991533 [0,0,0,1,0,0|2,0,0]=3 7476 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100000764125_100009991533 [0,0,0,1,0,0|1,0,0]=2 7477 B14R1.955 CCOC(=O)CCCSCCC1CC1 62a_100009991533_100000764125 [0,0,0,1,0,0|1,0,0]=2 7478 B14R1.955 CCOC(=O)CCCSCCC1CO1 62a_100000732470_100009991533 [0,0,0,1,0,0|2,0,0]=3 7479 B14R1.955 CCOC(=O)CCCSCCC1CO1 62a_100009991533_100000732470 [0,0,0,1,0,0|2,0,0]=3 7480 B14R1.955 CCOC(=O)CCOCC#CC1CC1 34a_100000083941_100000765890 [0,0,0,1,0,0|1,0,2]=4 7481 B14R1.955 CCOC(=O)CCOCC#CC1CC1 7a_100000083941_100011206558 [0,0,0,1,0,0|1,0,2]=4 7482 B14R1.955 CCOC(=O)CCOCCNC1CC1 34a_100000738766_100000765890 [0,0,0,1,0,0|2,0,0]=3 7483 B14R1.955 CCOC(=O)CCSCC#CC1CC1 62a_100000765890_100009895102 [0,0,0,1,0,0|1,0,2]=4 7484 B14R1.955 CCOC(=O)CCSCC#CC1CC1 62a_100009895102_100000765890 [0,0,0,1,0,0|1,0,2]=4 7485 B14R1.955 CCOC(=O)CCSCCCC1CO1 62a_100000733510_100000765890 [0,0,0,1,0,0|2,0,0]=3 7486 B14R1.955 CCOC(=O)CCSCCCC1CO1 62a_100000765890_100000733510 [0,0,0,1,0,0|2,0,0]=3 7487 B14R1.955 CCOC(=O)COCCCNC1CC1 34a_100000212008_100009893628 [0,0,0,1,0,0|2,0,0]=3 7488 B14R1.955 CCOC(=O)COCCCSC1CC1 62a_100009893628_100000211595 [0,0,0,1,0,0|2,0,0]=3 7489 B14R1.955 CCOC(=O)COCCNCC1CC1 2230a_100000735609_100000088970 [0,0,0,1,0,0|2,0,0]=3 7490 B14R1.955 CCOC(=O)COCCNCC1CC1 34a_100000735609_100000088970 [0,0,0,1,0,0|2,0,0]=3 7491 B14R1.955 CCOC(=O)COCCOCC1CC1 34a_100000211283_100000088970 [0,0,0,1,0,0|2,0,0]=3 7492 B14R1.955 CCOC(=O)COCCOC[C@@H]1CO1 34a_100000757423_100000088970 [0,0,0,1,0,0|3,0,0]=4 7493 B14R1.955 CCOC(=O)COCCSCC1CC1 62a_100000088970_100000742324 [0,0,0,1,0,0|2,0,0]=3 7494 B14R1.955 CCOC(=O)COCCSCC1CC1 62a_100000756562_100000088970 [0,0,0,1,0,0|2,0,0]=3 7495 B14R1.955 CCOC(=O)COCCSCC1CO1 62a_100000088970_102125554688 [0,0,0,1,0,0|3,0,0]=4 7496 B14R1.955 CCOC(=O)COCCSCC1CO1 62a_102125554688_100000088970 [0,0,0,1,0,0|3,0,0]=4 7497 B14R1.955 CCOC(=O)COCCSCC1CS1 62a_100000031435_100000088970 [0,0,0,1,0,0|3,0,0]=4 7498 B14R1.955 CCOC(=O)COCCSCC1CS1 62a_100000088970_100000031435 [0,0,0,1,0,0|3,0,0]=4 7499 B14R1.955 CCOC(=O)COCCSC[C@@H]1CO1 62a_100000088970_100000745022 [0,0,0,1,0,0|3,0,0]=4 7500 B14R1.955 CCOC(=O)COCCSC[C@@H]1CO1 62a_100000745022_100000088970 [0,0,0,1,0,0|3,0,0]=4 7501 B14R1.955 CCOC(=O)CSCCOCC1CC1 7a_200000230590_100000742324 [0,0,0,1,0,0|2,0,0]=3 7502 B14R1.955 CCOC(=O)CSCCOCC1CO1 7a_200000230590_102125554688 [0,0,0,1,0,0|3,0,0]=4 7503 B14R1.955 CCOC(=O)CSCCOCC1CS1 7a_200000230590_100000031435 [0,0,0,1,0,0|3,0,0]=4 7504 B14R1.955 CCOC(=O)CSCCOC[C@@H]1CO1 7a_200000230590_100000745022 [0,0,0,1,0,0|3,0,0]=4 7505 B14R1.955 CCOC(=O)NCCOCCC1CC1 34a_100000158857_100000694398 [0,0,0,1,0,0|2,0,0]=3 7506 B14R1.955 CCOC(=O)NCCOCCC1CC1 7a_100000754188_200011445536 [0,0,0,1,0,0|2,0,0]=3 7507 B14R1.955 CCOC(=O)NCCOCCC1CO1 34a_100000158857_100000732470 [0,0,0,1,0,0|3,0,0]=4 7508 B14R1.955 CCOC(=O)NCCSCCC1CC1 62a_100000764125_200011445536 [0,0,0,1,0,0|2,0,0]=3 7509 B14R1.955 CCOC(=O)NCCSCCC1CO1 62a_100000732470_200011445536 [0,0,0,1,0,0|3,0,0]=4 7510 B14R1.955 CCOC(=O)OCSCCCC1CO1 62a_100000733510_100000075025 [0,0,0,1,0,0|3,0,0]=4 7511 B14R1.963 CCOC(=O)CCCCN1CCC1C 269982a_100000755817_100000750268 [0,0,0,1,0,0|1,0,0]=2 7512 B14R1.963 CCOC(=O)CCCCN1CCC1C 34a_100000755817_100000750268 [0,0,0,1,0,0|1,0,0]=2 7513 B14R1.963 CCOC(=O)CCCOC1CCC1=O 7a_100012001163_100009892977 [0,0,0,1,0,0|2,0,1]=4 7514 B14R1.963 CCOC(=O)CCCSC1CCC1=O 62a_100009892977_100009991533 [0,0,0,1,0,0|2,0,1]=4 7515 B14R1.963 CCOC(=O)CCCSC1CCC1=O 62a_100009991533_100009892977 [0,0,0,1,0,0|2,0,1]=4 7516 B14R1.963 CCOC(=O)COCCN1CCC1C 269982a_100000755817_100000088970 [0,0,0,1,0,0|2,0,0]=3 7517 B14R1.963 CCOC(=O)COCCN1CCC1C 34a_100000755817_100000088970 [0,0,0,1,0,0|2,0,0]=3 7518 B14R1.963 CCOC(=O)CSCCC1CCC1=O 62a_100000188475_200016118888 [0,0,0,1,0,0|2,0,1]=4 7519 B14R1.963 CCOC(=O)CSCCC1CCC1=O 62a_200016118888_100000188475 [0,0,0,1,0,0|2,0,1]=4 7520 B14R1.965 C#CC1CCCCN1CC(=O)OCC 2230a_200020621307_100000188475 [0,0,0,1,0,0|1,0,2]=4 7521 B14R1.965 C#CC1CCCCN1CC(=O)OCC 269982a_200020621307_100000188475 [0,0,0,1,0,0|1,0,2]=4 7522 B14R1.965 C#CC1CCCCN1CC(=O)OCC 34a_200020621307_100000188475 [0,0,0,1,0,0|1,0,2]=4 7523 B14R1.965 C=COC(=O)CN1CCCCC1CC 2230a_100000210034_100000036128 [0,0,0,1,0,0|1,0,2]=4 7524 B14R1.965 C=COC(=O)CN1CCCCC1CC 269982a_100000210034_100000036128 [0,0,0,1,0,0|1,0,2]=4 7525 B14R1.965 C=COC(=O)CN1CCCCC1CC 34a_100000210034_100000036128 [0,0,0,1,0,0|1,0,2]=4 7526 B14R1.965 CCC1CCCCN1CC(=O)NCO 2230a_100000210034_100000185155 [0,0,0,1,0,0|3,0,0]=4 7527 B14R1.965 CCC1CCCCN1CC(=O)NCO 269982a_100000210034_100000185155 [0,0,0,1,0,0|3,0,0]=4 7528 B14R1.965 CCC1CCCCN1CC(=O)NCO 34a_100000210034_100000185155 [0,0,0,1,0,0|3,0,0]=4 7529 B14R1.965 CCCC(=O)CN1CCCCC1CC 2230a_100000210034_100000747444 [0,0,0,1,0,0|2,0,0]=3 7530 B14R1.965 CCCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747444 [0,0,0,1,0,0|2,0,0]=3 7531 B14R1.965 CCCC(=O)CN1CCCCC1CO 2230a_100000210821_100000747444 [0,0,0,1,0,0|3,0,0]=4 7532 B14R1.965 CCCC(=O)CN1CCCCC1CO 269982a_100000210821_100000747444 [0,0,0,1,0,0|3,0,0]=4 7533 B14R1.965 CCCC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000747444 [0,0,0,1,0,0|3,0,0]=4 7534 B14R1.965 CCCC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000747444 [0,0,0,1,0,0|3,0,0]=4 7535 B14R1.965 CCCC(=O)NC1CCCCC1OC 11a_100011208099_100000211992 [0,0,0,1,0,0|3,0,0]=4 7536 B14R1.965 CCCC(=O)NC1CCCCC1OC 1626a_100011208099_100000211992 [0,0,0,1,0,0|3,0,0]=4 7537 B14R1.965 CCCC(=O)NC1CCCCC1OC 240690a_100011208099_100000211992 [0,0,0,1,0,0|3,0,0]=4 7538 B14R1.965 CCCC(=O)NC1CCCCC1OC 527a_100011208099_100000211992 [0,0,0,1,0,0|3,0,0]=4 7539 B14R1.965 CCNC(=O)CN1CCCCC1CC 2230a_100000210034_100000183381 [0,0,0,1,0,0|2,0,0]=3 7540 B14R1.965 CCNC(=O)CN1CCCCC1CC 269982a_100000210034_100000183381 [0,0,0,1,0,0|2,0,0]=3 7541 B14R1.965 CCNC(=O)CN1CCCCC1CC 34a_100000210034_100000183381 [0,0,0,1,0,0|2,0,0]=3 7542 B14R1.965 CCNC(=O)CN1CCCCC1CO 2230a_100000210821_100000183381 [0,0,0,1,0,0|3,0,0]=4 7543 B14R1.965 CCNC(=O)CN1CCCCC1CO 269982a_100000210821_100000183381 [0,0,0,1,0,0|3,0,0]=4 7544 B14R1.965 CCNC(=O)CN1CCCCC1CO 34a_100000210821_100000183381 [0,0,0,1,0,0|3,0,0]=4 7545 B14R1.965 CCNC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000183381 [0,0,0,1,0,0|3,0,0]=4 7546 B14R1.965 CCNC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000183381 [0,0,0,1,0,0|3,0,0]=4 7547 B14R1.965 CCNC(=O)CN1CCOC[C@@H]1CC 34a_100016988097_100000183381 [0,0,0,1,0,0|3,0,0]=4 7548 B14R1.965 CCNC(=O)NC1CCCCC1OC 2708a_100011208099_100015525214 [0,0,0,1,0,0|3,0,0]=4 7549 B14R1.965 CCNC(=O)NC1CCCCC1OC 2708a_100015525214_100011208099 [0,0,0,1,0,0|3,0,0]=4 7550 B14R1.965 CCNC(=O)NC1CCCCC1OC 273464a_100011208099_100015525214 [0,0,0,1,0,0|3,0,0]=4 7551 B14R1.965 CCNC(=O)NC1CCCCC1OC 273464a_100015525214_100011208099 [0,0,0,1,0,0|3,0,0]=4 7552 B14R1.965 CCNC(=O)NC1CCCCC1OC 512a_100011208099_100015525214 [0,0,0,1,0,0|3,0,0]=4 7553 B14R1.965 CCNC(=O)NC1CCCCC1OC 512a_100015525214_100011208099 [0,0,0,1,0,0|3,0,0]=4 7554 B14R1.965 CCOC(=O)CC1CCCCN1CC 2230a_100116209990_100000210202 [0,0,0,1,0,0|1,0,0]=2 7555 B14R1.965 CCOC(=O)CC1CCCCN1CC 269982a_100116209990_100000204670 [0,0,0,1,0,0|1,0,0]=2 7556 B14R1.965 CCOC(=O)CC1CCCCN1CF 269982a_100116209990_100015361967 [0,0,0,1,0,0|2,0,0]=3 7557 B14R1.965 CCOC(=O)CN1CCCCC1C#N 34a_100016989756_100000188475 [0,0,0,1,0,0|2,0,1]=4 7558 B14R1.965 CCOC(=O)CN1CCCCC1CC 2230a_100000210034_100000188475 [0,0,0,1,0,0|1,0,0]=2 7559 B14R1.965 CCOC(=O)CN1CCCCC1CC 269982a_100000210034_100000188475 [0,0,0,1,0,0|1,0,0]=2 7560 B14R1.965 CCOC(=O)CN1CCCCC1CC 34a_100000210034_100000188475 [0,0,0,1,0,0|1,0,0]=2 7561 B14R1.965 CCOC(=O)CN1CCCCC1CO 2230a_100000210821_100000188475 [0,0,0,1,0,0|2,0,0]=3 7562 B14R1.965 CCOC(=O)CN1CCCCC1CO 269982a_100000210821_100000188475 [0,0,0,1,0,0|2,0,0]=3 7563 B14R1.965 CCOC(=O)CN1CCCCC1CO 34a_100000210821_100000188475 [0,0,0,1,0,0|2,0,0]=3 7564 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_100000188475 [0,0,0,1,0,0|2,0,0]=3 7565 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000188475 [0,0,0,1,0,0|2,0,0]=3 7566 B14R1.965 CCOC(=O)CN1CCOC[C@@H]1CC 34a_100016988097_100000188475 [0,0,0,1,0,0|2,0,0]=3 7567 B14R1.965 CCOC(=O)CN1CCOC[C@H]1CO 2230a_100000717676_100000188475 [0,0,0,1,0,0|3,0,0]=4 7568 B14R1.965 CCOC(=O)CN1CCOC[C@H]1CO 269982a_100000717676_100000188475 [0,0,0,1,0,0|3,0,0]=4 7569 B14R1.965 CCOC(=O)CN1CCOC[C@H]1CO 34a_100000717676_100000188475 [0,0,0,1,0,0|3,0,0]=4 7570 B14R1.1253 CCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210314 [0,0,0,1,0,0|2,0,0]=3 7571 B14R1.1253 CCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210757 [0,0,0,1,0,0|2,0,0]=3 7572 B14R1.1253 CCCCOCN1CCNC(=O)CC1 2230a_100000698595_100011995733 [0,0,0,1,0,0|3,0,0]=4 7573 B14R1.1253 CCCCOCN1CCNC(=O)CC1 269982a_100000698595_100011995733 [0,0,0,1,0,0|3,0,0]=4 7574 B14R1.1253 CCCOCCN1CCNC(=O)CC1 2230a_100000698595_100011215938 [0,0,0,1,0,0|3,0,0]=4 7575 B14R1.1253 CCCOCCN1CCNC(=O)CC1 269982a_100000698595_100011215938 [0,0,0,1,0,0|3,0,0]=4 7576 B14R1.1253 CCOCCCN1CCNC(=O)CC1 2230a_100000698595_100012232248 [0,0,0,1,0,0|3,0,0]=4 7577 B14R1.1253 CCOCCCN1CCNC(=O)CC1 269982a_100000698595_100012232248 [0,0,0,1,0,0|3,0,0]=4 7578 B14R1.1253 COCCCCN1CCNC(=O)CC1 2230a_100000698595_100000730899 [0,0,0,1,0,0|3,0,0]=4 7579 B14R1.1253 COCCCCN1CCNC(=O)CC1 269982a_100000698595_100000730899 [0,0,0,1,0,0|3,0,0]=4 7580 B14R1.1253 O=C1CCN(CCN1)CCCCCF 2230a_100000698595_100000729378 [0,0,0,1,0,0|3,0,0]=4 7581 B14R1.1253 O=C1CCN(CCN1)CCCCCF 269982a_100000698595_100000729378 [0,0,0,1,0,0|3,0,0]=4 7582 B14R1.1253 O=C1CCN(CCN1)CCCCCO 2230a_100000698595_100000746330 [0,0,0,1,0,0|3,0,0]=4 7583 B14R1.1253 O=C1CCN(CCN1)CCCCCO 269982a_100000698595_100000746330 [0,0,0,1,0,0|3,0,0]=4 7584 B14R1.2357 CCCCCCCN1CC(C1)OCC 269982a_100000732654_100000210681 [0,0,0,1,0,0|2,0,1]=4 7585 B14R1.2357 CCCCCCCN1CC(C1)OCC 34a_100000732654_100000210614 [0,0,0,1,0,0|2,0,1]=4 7586 B14R1.3619 CCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210326 [0,0,0,1,0,0|3,0,0]=4 7587 B14R1.3619 CCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210215 [0,0,0,1,0,0|3,0,0]=4 7588 B14R1.3619 CCCCCN1CCNC(=O)C1CC 34a_100000187962_100000718602 [0,0,0,1,0,0|3,0,0]=4 7589 B14R1.6816 C#CCCCCCCCC(=O)C1CC1 1458a_100000210395_100153394163 [0,0,0,1,0,0|1,0,2]=4 7590 B14R1.6816 C=CCCCCCCCC(=O)C1CC1 1458a_100000210395_100012355270 [0,0,0,1,0,0|1,0,2]=4 7591 B14R1.6816 CCCCC#CCCCC(=O)C1CC1 1458a_100000210395_200000047210 [0,0,0,1,0,0|1,0,2]=4 7592 B14R1.6816 CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210670 [0,0,0,1,0,0|1,0,0]=2 7593 B14R1.6816 CCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210670 [0,0,0,1,0,0|2,0,0]=3 7594 B14R1.6816 CCCCCCCCCN(C)C1CC1 2230a_100000226674_100011214924 [0,0,0,1,0,0|3,0,0]=4 7595 B14R1.6816 CCCCCCCCCN(C)C1CC1 269982a_100000226674_100000210670 [0,0,0,1,0,0|3,0,0]=4 7596 B14R1.6816 CCCCCCCCCN(C)C1CC1 269982a_100000232482_100000211595 [0,0,0,1,0,0|3,0,0]=4 7597 B14R1.6816 CCCCCCCCNC(=O)C1CC1 11a_100000229939_100000210395 [0,0,0,1,0,0|2,0,0]=3 7598 B14R1.6816 CCCCCCCCNC(=O)C1CC1 1626a_100000229939_100000210395 [0,0,0,1,0,0|2,0,0]=3 7599 B14R1.6816 CCCCCCCCNC(=O)C1CC1 240690a_100000229939_100000210395 [0,0,0,1,0,0|2,0,0]=3 7600 B14R1.6816 CCCCCCCCNC(=O)C1CC1 527a_100000229939_100000210395 [0,0,0,1,0,0|2,0,0]=3 7601 B14R1.6816 CCCCCCCCNC(=O)C1CO1 11a_100000229939_100000701028 [0,0,0,1,0,0|3,0,0]=4 7602 B14R1.6816 CCCCCCCCNC(=O)C1CO1 1626a_100000229939_100000701028 [0,0,0,1,0,0|3,0,0]=4 7603 B14R1.6816 CCCCCCCCNC(=O)C1CO1 240690a_100000229939_100000701028 [0,0,0,1,0,0|3,0,0]=4 7604 B14R1.6816 CCCCCCCCNC(=O)C1CO1 527a_100000229939_100000701028 [0,0,0,1,0,0|3,0,0]=4 7605 B14R1.6816 CCCCCCCNCC(=O)C1CC1 2230a_100000229938_100000746382 [0,0,0,1,0,0|2,0,0]=3 7606 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000210272_100000746382 [0,0,0,1,0,0|2,0,0]=3 7607 B14R1.6816 CCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210614 [0,0,0,1,0,0|2,0,0]=3 7608 B14R1.6816 CCCCCCCOCC(=O)C1CC1 7a_100000210272_100000746382 [0,0,0,1,0,0|2,0,0]=3 7609 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000210614_100000746382 [0,0,0,1,0,0|2,0,0]=3 7610 B14R1.6816 CCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210316 [0,0,0,1,0,0|2,0,0]=3 7611 B14R1.6816 CCCCCCNCOC(=O)C1CC1 2230a_100000210581_100000140896 [0,0,0,1,0,0|3,0,0]=4 7612 B14R1.6816 CCCCCCOCOC(=O)C1CC1 34a_100000210259_100000140896 [0,0,0,1,0,0|3,0,0]=4 7613 B14R1.6816 CCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210757 [0,0,0,1,0,0|3,0,0]=4 7614 B14R1.6816 CCCCCCSCOC(=O)C1CC1 62a_100000210314_100000140896 [0,0,0,1,0,0|3,0,0]=4 7615 B14R1.6816 CCCCOCCCNC(=O)C1CC1 1626a_200000211371_100000210395 [0,0,0,1,0,0|3,0,0]=4 7616 B14R1.6816 CCCCOCCCNC(=O)C1CC1 240690a_200000211371_100000210395 [0,0,0,1,0,0|3,0,0]=4 7617 B14R1.6816 CCCCOCCCNC(=O)C1CC1 527a_200000211371_100000210395 [0,0,0,1,0,0|3,0,0]=4 7618 B14R1.6816 CCCCOCCOCC(=O)C1CC1 34a_100000210238_100000746382 [0,0,0,1,0,0|3,0,0]=4 7619 B14R1.6816 CCCCOCCOCC(=O)C1CC1 34a_100000686663_100000743108 [0,0,0,1,0,0|3,0,0]=4 7620 B14R1.6816 CCCCOCCOCC(=O)C1CC1 7a_100000210238_100000746382 [0,0,0,1,0,0|3,0,0]=4 7621 B14R1.6816 CCCCOCCSCC(=O)C1CC1 62a_100000743108_100000746382 [0,0,0,1,0,0|3,0,0]=4 7622 B14R1.6816 CCCCOCCSCC(=O)C1CC1 62a_100000746382_100000743108 [0,0,0,1,0,0|3,0,0]=4 7623 B14R1.6816 CCCCSCCNCC(=O)C1CC1 2230a_100025743550_100000746382 [0,0,0,1,0,0|3,0,0]=4 7624 B14R1.6816 CCCCSCCOCC(=O)C1CC1 34a_200000230436_100000746382 [0,0,0,1,0,0|3,0,0]=4 7625 B14R1.6816 CCCCSCCOCC(=O)C1CC1 7a_200000230436_100000746382 [0,0,0,1,0,0|3,0,0]=4 7626 B14R1.6816 CCCOCCCNCC(=O)C1CC1 2230a_100011217757_100000746382 [0,0,0,1,0,0|3,0,0]=4 7627 B14R1.6816 CCCOCCCNCC(=O)C1CC1 34a_100011217757_100000746382 [0,0,0,1,0,0|3,0,0]=4 7628 B14R1.6816 CNCCCCCOCC(=O)C1CC1 34a_100000722520_100000746382 [0,0,0,1,0,0|3,0,0]=4 7629 B14R1.6816 COCCCCCNCC(=O)C1CC1 2230a_100000747528_100000746382 [0,0,0,1,0,0|3,0,0]=4 7630 B14R1.6816 COCCCCCNCC(=O)C1CC1 34a_100000747528_100000746382 [0,0,0,1,0,0|3,0,0]=4 7631 B14R1.6816 NCCCCCCOCC(=O)C1CC1 34a_100000686447_100000746382 [0,0,0,1,0,0|3,0,0]=4 7632 B14R1.6816 O=C(CCCCCCCCO)C1CC1 1458a_100000210395_100000033203 [0,0,0,1,0,0|2,0,0]=3 7633 B14R1.6816 O=C(CCCCCCCCO)C1CO1 1458a_100000701028_100000033203 [0,0,0,1,0,0|3,0,0]=4 7634 B14R1.6816 O=C(CNCCCCCCO)C1CC1 2230a_100000686447_100000746382 [0,0,0,1,0,0|3,0,0]=4 7635 B14R1.6816 O=C(CNCCCCCCO)C1CC1 34a_100000686447_100000746382 [0,0,0,1,0,0|3,0,0]=4 7636 B14R1.6816 O=C(COCCCCCCBr)C1CC1 34a_100011215345_100000746382 [0,0,0,1,0,0|3,0,0]=4 7637 B14R1.6816 O=C(COCCCCCCBr)C1CC1 7a_100011215345_100000746382 [0,0,0,1,0,0|3,0,0]=4 7638 B14R1.6816 O=C(COCCCCCCCl)C1CC1 34a_100000766143_100000746382 [0,0,0,1,0,0|3,0,0]=4 7639 B14R1.6816 O=C(COCCCCCCCl)C1CC1 7a_100000766143_100000746382 [0,0,0,1,0,0|3,0,0]=4 7640 B14R1.6816 O=C(COCCCCCCF)C1CC1 34a_100000686663_100015922095 [0,0,0,1,0,0|3,0,0]=4 7641 B14R1.6816 O=C(COCCCCCCF)C1CC1 34a_100000732779_100000746382 [0,0,0,1,0,0|3,0,0]=4 7642 B14R1.6816 O=C(COCCCCCCF)C1CC1 7a_100000732779_100000746382 [0,0,0,1,0,0|3,0,0]=4 7643 B14R1.6816 O=C(COCCCCCCO)C1CC1 34a_100000686663_100000766143 [0,0,0,1,0,0|3,0,0]=4 7644 B14R1.6816 O=C(CSCCCCCCF)C1CC1 62a_100000746382_100015922095 [0,0,0,1,0,0|3,0,0]=4 7645 B14R1.6816 O=C(CSCCCCCCF)C1CC1 62a_100015922095_100000746382 [0,0,0,1,0,0|3,0,0]=4 7646 B14R1.6816 O=C(CSCCCCCCO)C1CC1 62a_100000746382_100000766143 [0,0,0,1,0,0|3,0,0]=4 7647 B14R1.6816 O=C(CSCCCCCCO)C1CC1 62a_100000766143_100000746382 [0,0,0,1,0,0|3,0,0]=4 7648 B14R1.6816 O=C(NCCCCCCCO)C1CC1 240690a_100011996573_100000210395 [0,0,0,1,0,0|3,0,0]=4 7649 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 11a_100000039187_100000210699 [0,0,0,1,0,0|2,0,1]=4 7650 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000210699 [0,0,0,1,0,0|2,0,1]=4 7651 B14R1.7119 CC=CC(=O)N1CCCCCCCC1 240690a_100000039187_100000210699 [0,0,0,1,0,0|2,0,1]=4 7652 B14R1.7119 CCCC(=O)N1CCCCCCCC1 11a_100000039187_100000211992 [0,0,0,1,0,0|2,0,0]=3 7653 B14R1.7119 CCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000211992 [0,0,0,1,0,0|2,0,0]=3 7654 B14R1.7119 CCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000211992 [0,0,0,1,0,0|2,0,0]=3 7655 B14R1.7119 CCCC(=O)N1CCCCCCCC1 527a_100000039187_100000211992 [0,0,0,1,0,0|2,0,0]=3 7656 B14R1.7119 CCCN(C)C1CCCCCCCC1 270004a_100000747261_100000038600 [0,0,0,1,0,0|3,0,0]=4 7657 B14R1.7119 CCNC(=O)N1CCCCCCCC1 2708a_100015525214_100000039187 [0,0,0,1,0,0|2,0,0]=3 7658 B14R1.7119 CCNC(=O)N1CCCCCCCC1 273464a_100015525214_100000039187 [0,0,0,1,0,0|2,0,0]=3 7659 B14R1.7119 COCC(=O)N1CCCCCCCC1 11a_100000039187_100000210968 [0,0,0,1,0,0|3,0,0]=4 7660 B14R1.7119 COCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210968 [0,0,0,1,0,0|3,0,0]=4 7661 B14R1.7119 COCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210968 [0,0,0,1,0,0|3,0,0]=4 7662 B14R1.7119 COCC(=O)N1CCCCCCCC1 527a_100000039187_100000210968 [0,0,0,1,0,0|3,0,0]=4 7663 B14R1.7119 CSCC(=O)N1CCCCCCCC1 11a_100000039187_100000184570 [0,0,0,1,0,0|3,0,0]=4 7664 B14R1.7119 CSCC(=O)N1CCCCCCCC1 1626a_100000039187_100000184570 [0,0,0,1,0,0|3,0,0]=4 7665 B14R1.7119 CSCC(=O)N1CCCCCCCC1 240690a_100000039187_100000184570 [0,0,0,1,0,0|3,0,0]=4 7666 B14R1.7119 CSCC(=O)N1CCCCCCCC1 527a_100000039187_100000184570 [0,0,0,1,0,0|3,0,0]=4 7667 B14R1.7119 O=C(CCO)N1CCCCCCCC1 240690a_100000039187_100011216618 [0,0,0,1,0,0|3,0,0]=4 7668 B14R1.7146 C=COC(=O)CNC1CCCCCC1 2230a_100000210984_100000036128 [0,0,0,1,0,0|1,0,2]=4 7669 B14R1.7146 C=COC(=O)CNC1CCCCCC1 34a_100000210984_100000036128 [0,0,0,1,0,0|1,0,2]=4 7670 B14R1.7146 C=COC(=O)COC1CCCCCC1 34a_100000210887_100000036128 [0,0,0,1,0,0|1,0,2]=4 7671 B14R1.7146 C=COC(=O)CSC1CCCCCC1 62a_100000036128_100011217769 [0,0,0,1,0,0|1,0,2]=4 7672 B14R1.7146 C=COC(=O)CSC1CCCCCC1 62a_100011217769_100000036128 [0,0,0,1,0,0|1,0,2]=4 7673 B14R1.7146 CC#CC(=O)CCN1CCCCCC1 1458a_100000763181_100000722644 [0,0,0,1,0,0|2,0,1]=4 7674 B14R1.7146 CC=CC(=O)CCN1CCCCCC1 1458a_100000210699_100000722644 [0,0,0,1,0,0|2,0,1]=4 7675 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 11a_100015204231_100000210699 [0,0,0,1,0,0|2,0,1]=4 7676 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000210699 [0,0,0,1,0,0|2,0,1]=4 7677 B14R1.7146 CC=CC(=O)NCC1CCCCCC1 240690a_100015204231_100000210699 [0,0,0,1,0,0|2,0,1]=4 7678 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000211992_100000722644 [0,0,0,1,0,0|2,0,0]=3 7679 B14R1.7146 CCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210303 [0,0,0,1,0,0|2,0,0]=3 7680 B14R1.7146 CCCC(=O)CNC1CCCCCC1 2230a_100000210984_100000747444 [0,0,0,1,0,0|2,0,0]=3 7681 B14R1.7146 CCCC(=O)COC1CCCCCC1 7a_100000210887_100000747444 [0,0,0,1,0,0|2,0,0]=3 7682 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100000747444_100011217769 [0,0,0,1,0,0|2,0,0]=3 7683 B14R1.7146 CCCC(=O)CSC1CCCCCC1 62a_100011217769_100000747444 [0,0,0,1,0,0|2,0,0]=3 7684 B14R1.7146 CCCC(=O)NCC1CCCCCC1 11a_100015204231_100000211992 [0,0,0,1,0,0|2,0,0]=3 7685 B14R1.7146 CCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211992 [0,0,0,1,0,0|2,0,0]=3 7686 B14R1.7146 CCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211992 [0,0,0,1,0,0|2,0,0]=3 7687 B14R1.7146 CCCC(=O)NCC1CCCCCC1 527a_100015204231_100000211992 [0,0,0,1,0,0|2,0,0]=3 7688 B14R1.7146 CCCC(=O)OCN1CCCCCC1 2230a_100000185865_100000034017 [0,0,0,1,0,0|3,0,0]=4 7689 B14R1.7146 CCCC(=O)OCN1CCCCCC1 269982a_100000185865_100000034017 [0,0,0,1,0,0|3,0,0]=4 7690 B14R1.7146 CCCC(=O)OCN1CCCCCC1 34a_100000185865_100000034017 [0,0,0,1,0,0|3,0,0]=4 7691 B14R1.7146 CCNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737597 [0,0,0,1,0,0|2,0,0]=3 7692 B14R1.7146 CCNC(=O)CCN1CCCCCC1 240690a_100015525214_100000740320 [0,0,0,1,0,0|2,0,0]=3 7693 B14R1.7146 CCNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737597 [0,0,0,1,0,0|2,0,0]=3 7694 B14R1.7146 CCNC(=O)CCN1CCCOCC1 2230a_100000685342_100000737597 [0,0,0,1,0,0|3,0,0]=4 7695 B14R1.7146 CCNC(=O)CCN1CCCOCC1 269982a_100000685342_100000737597 [0,0,0,1,0,0|3,0,0]=4 7696 B14R1.7146 CCNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183381 [0,0,0,1,0,0|2,0,0]=3 7697 B14R1.7146 CCNC(=O)CNC1CCCCCC1 270004a_100016988866_100000210131 [0,0,0,1,0,0|2,0,0]=3 7698 B14R1.7146 CCNC(=O)CNC1CCCCCC1 34a_100000210984_100000183381 [0,0,0,1,0,0|2,0,0]=3 7699 B14R1.7146 CCNC(=O)CNC1CCCNCC1 270004a_100016988866_100015187895 [0,0,0,1,0,0|3,0,0]=4 7700 B14R1.7146 CCNC(=O)COC1CCCCCC1 34a_100000210887_100000183381 [0,0,0,1,0,0|2,0,0]=3 7701 B14R1.7146 CCNC(=O)COC1CCCCCC1 7a_100000210887_100000183381 [0,0,0,1,0,0|2,0,0]=3 7702 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100000183381_100011217769 [0,0,0,1,0,0|2,0,0]=3 7703 B14R1.7146 CCNC(=O)CSC1CCCCCC1 62a_100011217769_100000183381 [0,0,0,1,0,0|2,0,0]=3 7704 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015204231_100015525214 [0,0,0,1,0,0|2,0,0]=3 7705 B14R1.7146 CCNC(=O)NCC1CCCCCC1 2708a_100015525214_100015204231 [0,0,0,1,0,0|2,0,0]=3 7706 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015204231_100015525214 [0,0,0,1,0,0|2,0,0]=3 7707 B14R1.7146 CCNC(=O)NCC1CCCCCC1 273464a_100015525214_100015204231 [0,0,0,1,0,0|2,0,0]=3 7708 B14R1.7146 CCNC(=O)NCC1CCCCCC1 512a_100015525214_100015204231 [0,0,0,1,0,0|2,0,0]=3 7709 B14R1.7146 CCOC(=O)CCN1CCCCCC1 2230a_100000185865_100011206558 [0,0,0,1,0,0|1,0,0]=2 7710 B14R1.7146 CCOC(=O)CCN1CCCCCC1 269982a_100000185865_100011206558 [0,0,0,1,0,0|1,0,0]=2 7711 B14R1.7146 CCOC(=O)CCN1CCCCCC1 34a_100000185865_100000765890 [0,0,0,1,0,0|1,0,0]=2 7712 B14R1.7146 CCOC(=O)CCN1CCCOCC1 2230a_100000685342_100011206558 [0,0,0,1,0,0|2,0,0]=3 7713 B14R1.7146 CCOC(=O)CCN1CCCOCC1 269982a_100000685342_100011206558 [0,0,0,1,0,0|2,0,0]=3 7714 B14R1.7146 CCOC(=O)CCN1CCCOCC1 34a_100000685342_100000765890 [0,0,0,1,0,0|2,0,0]=3 7715 B14R1.7146 CCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000188475 [0,0,0,1,0,0|1,0,0]=2 7716 B14R1.7146 CCOC(=O)CNC1CCCCCC1 34a_100000210984_100000188475 [0,0,0,1,0,0|1,0,0]=2 7717 B14R1.7146 CCOC(=O)COC1CCCCCC1 34a_100000210887_100000188475 [0,0,0,1,0,0|1,0,0]=2 7718 B14R1.7146 CCOC(=O)COC1CCCCCC1 7a_100000210887_100000188475 [0,0,0,1,0,0|1,0,0]=2 7719 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100000188475_100011217769 [0,0,0,1,0,0|1,0,0]=2 7720 B14R1.7146 CCOC(=O)CSC1CCCCCC1 62a_100011217769_100000188475 [0,0,0,1,0,0|1,0,0]=2 7721 B14R1.7146 CNNC(=O)CCN1CCCCCC1 22a_100016993582_100000740320 [0,0,0,1,0,0|3,0,0]=4 7722 B14R1.7146 CNNC(=O)NCC1CCCCCC1 273464a_100015204231_100016993582 [0,0,0,1,0,0|3,0,0]=4 7723 B14R1.7146 CNNC(=O)NCC1CCCCCC1 512a_100016993582_100015204231 [0,0,0,1,0,0|3,0,0]=4 7724 B14R1.7146 COCC(=O)CCN1CCCCCC1 1458a_100000210968_100000722644 [0,0,0,1,0,0|3,0,0]=4 7725 B14R1.7146 COCC(=O)NCC1CCCCCC1 11a_100015204231_100000210968 [0,0,0,1,0,0|3,0,0]=4 7726 B14R1.7146 COCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210968 [0,0,0,1,0,0|3,0,0]=4 7727 B14R1.7146 COCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210968 [0,0,0,1,0,0|3,0,0]=4 7728 B14R1.7146 COCC(=O)NCC1CCCCCC1 527a_100015204231_100000210968 [0,0,0,1,0,0|3,0,0]=4 7729 B14R1.7146 CSCC(=O)CCN1CCCCCC1 1458a_100000184570_100000722644 [0,0,0,1,0,0|3,0,0]=4 7730 B14R1.7146 CSCC(=O)NCC1CCCCCC1 11a_100015204231_100000184570 [0,0,0,1,0,0|3,0,0]=4 7731 B14R1.7146 CSCC(=O)NCC1CCCCCC1 1626a_100015204231_100000184570 [0,0,0,1,0,0|3,0,0]=4 7732 B14R1.7146 CSCC(=O)NCC1CCCCCC1 240690a_100015204231_100000184570 [0,0,0,1,0,0|3,0,0]=4 7733 B14R1.7146 CSCC(=O)NCC1CCCCCC1 527a_100015204231_100000184570 [0,0,0,1,0,0|3,0,0]=4 7734 B14R1.7146 O=C(CCF)CCN1CCCCCC1 1458a_100000740320_100011217306 [0,0,0,1,0,0|3,0,0]=4 7735 B14R1.7146 O=C(CCO)CCN1CCCCCC1 1458a_100000740320_100000211926 [0,0,0,1,0,0|3,0,0]=4 7736 B14R1.7146 O=C(CCO)CCN1CCCCCC1 1458a_100011216618_100000722644 [0,0,0,1,0,0|3,0,0]=4 7737 B14R1.7146 O=C(CCO)NCC1CCCCCC1 240690a_100015204231_100011216618 [0,0,0,1,0,0|3,0,0]=4 7738 B14R1.7146 O=C(CNC1CCCCCC1)NCO 2230a_100000210984_100000185155 [0,0,0,1,0,0|3,0,0]=4 7739 B14R1.7146 O=C(CNC1CCCCCC1)NCO 34a_100000210984_100000185155 [0,0,0,1,0,0|3,0,0]=4 7740 B14R1.7146 O=C(COC1CCCCCC1)NCO 34a_100000210887_100000185155 [0,0,0,1,0,0|3,0,0]=4 7741 B14R1.7146 O=C(COC1CCCCCC1)NCO 7a_100000210887_100000185155 [0,0,0,1,0,0|3,0,0]=4 7742 B14R1.7146 O=C(CSC1CCCCCC1)NCO 62a_100000185155_100011217769 [0,0,0,1,0,0|3,0,0]=4 7743 B14R1.7146 O=C(CSC1CCCCCC1)NCO 62a_100011217769_100000185155 [0,0,0,1,0,0|3,0,0]=4 7744 B14R1.7343 C=COC(=O)CN1CCCCCCC1 2230a_100000211400_100000036128 [0,0,0,1,0,0|1,0,2]=4 7745 B14R1.7343 C=COC(=O)CN1CCCCCCC1 269982a_100000211400_100000036128 [0,0,0,1,0,0|1,0,2]=4 7746 B14R1.7343 C=COC(=O)CN1CCCCCCC1 34a_100000211400_100000036128 [0,0,0,1,0,0|1,0,2]=4 7747 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 11a_100000211152_100000210699 [0,0,0,1,0,0|2,0,1]=4 7748 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000210699 [0,0,0,1,0,0|2,0,1]=4 7749 B14R1.7343 CC=CC(=O)NC1CCCCCCC1 240690a_100000211152_100000210699 [0,0,0,1,0,0|2,0,1]=4 7750 B14R1.7343 CCCC(=O)CN1CCCCCCC1 2230a_100000211400_100000747444 [0,0,0,1,0,0|2,0,0]=3 7751 B14R1.7343 CCCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747444 [0,0,0,1,0,0|2,0,0]=3 7752 B14R1.7343 CCCC(=O)NC1CCCCCCC1 11a_100000211152_100000211992 [0,0,0,1,0,0|2,0,0]=3 7753 B14R1.7343 CCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000211992 [0,0,0,1,0,0|2,0,0]=3 7754 B14R1.7343 CCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000211992 [0,0,0,1,0,0|2,0,0]=3 7755 B14R1.7343 CCCC(=O)NC1CCCCCCC1 527a_100000211152_100000211992 [0,0,0,1,0,0|2,0,0]=3 7756 B14R1.7343 CCNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183381 [0,0,0,1,0,0|2,0,0]=3 7757 B14R1.7343 CCNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183381 [0,0,0,1,0,0|2,0,0]=3 7758 B14R1.7343 CCNC(=O)CN1CCCCCCC1 34a_100000211400_100000183381 [0,0,0,1,0,0|2,0,0]=3 7759 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100000211152_100015525214 [0,0,0,1,0,0|2,0,0]=3 7760 B14R1.7343 CCNC(=O)NC1CCCCCCC1 2708a_100015525214_100000211152 [0,0,0,1,0,0|2,0,0]=3 7761 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100000211152_100015525214 [0,0,0,1,0,0|2,0,0]=3 7762 B14R1.7343 CCNC(=O)NC1CCCCCCC1 273464a_100015525214_100000211152 [0,0,0,1,0,0|2,0,0]=3 7763 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100000211152_100015525214 [0,0,0,1,0,0|2,0,0]=3 7764 B14R1.7343 CCNC(=O)NC1CCCCCCC1 512a_100015525214_100000211152 [0,0,0,1,0,0|2,0,0]=3 7765 B14R1.7343 CCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000188475 [0,0,0,1,0,0|1,0,0]=2 7766 B14R1.7343 CCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000188475 [0,0,0,1,0,0|1,0,0]=2 7767 B14R1.7343 CCOC(=O)CN1CCCCCCC1 34a_100000211400_100000188475 [0,0,0,1,0,0|1,0,0]=2 7768 B14R1.7343 CNCC(=O)NC1CCCCCCC1 2230a_106832991635_100000183010 [0,0,0,1,0,0|3,0,0]=4 7769 B14R1.7343 CNCC(=O)NC1CCCCCCC1 34a_100102657272_100000183010 [0,0,0,1,0,0|3,0,0]=4 7770 B14R1.7343 CNCC(=O)NC1CCCCCCC1 7a_106832991635_100000183010 [0,0,0,1,0,0|3,0,0]=4 7771 B14R1.7343 CNNC(=O)NC1CCCCCCC1 273464a_100000211152_100016993582 [0,0,0,1,0,0|3,0,0]=4 7772 B14R1.7343 CNNC(=O)NC1CCCCCCC1 512a_100000211152_100016993582 [0,0,0,1,0,0|3,0,0]=4 7773 B14R1.7343 CNNC(=O)NC1CCCCCCC1 512a_100016993582_100000211152 [0,0,0,1,0,0|3,0,0]=4 7774 B14R1.7343 COCC(=O)NC1CCCCCCC1 11a_100000211152_100000210968 [0,0,0,1,0,0|3,0,0]=4 7775 B14R1.7343 COCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210968 [0,0,0,1,0,0|3,0,0]=4 7776 B14R1.7343 COCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210968 [0,0,0,1,0,0|3,0,0]=4 7777 B14R1.7343 COCC(=O)NC1CCCCCCC1 34a_100138415774_100000183010 [0,0,0,1,0,0|3,0,0]=4 7778 B14R1.7343 COCC(=O)NC1CCCCCCC1 527a_100000211152_100000210968 [0,0,0,1,0,0|3,0,0]=4 7779 B14R1.7343 CSCC(=O)NC1CCCCCCC1 11a_100000211152_100000184570 [0,0,0,1,0,0|3,0,0]=4 7780 B14R1.7343 CSCC(=O)NC1CCCCCCC1 1626a_100000211152_100000184570 [0,0,0,1,0,0|3,0,0]=4 7781 B14R1.7343 CSCC(=O)NC1CCCCCCC1 240690a_100000211152_100000184570 [0,0,0,1,0,0|3,0,0]=4 7782 B14R1.7343 CSCC(=O)NC1CCCCCCC1 527a_100000211152_100000184570 [0,0,0,1,0,0|3,0,0]=4 7783 B14R1.7343 CSCC(=O)NC1CCCCCCC1 62a_100000183010_200000210301 [0,0,0,1,0,0|3,0,0]=4 7784 B14R1.7343 CSCC(=O)NC1CCCCCCC1 62a_200000210301_100000183010 [0,0,0,1,0,0|3,0,0]=4 7785 B14R1.7343 O=C(CCO)NC1CCCCCCC1 240690a_100000211152_100011216618 [0,0,0,1,0,0|3,0,0]=4 7786 B14R1.7343 O=C(CN1CCCCCCC1)NCO 2230a_100000211400_100000185155 [0,0,0,1,0,0|3,0,0]=4 7787 B14R1.7343 O=C(CN1CCCCCCC1)NCO 269982a_100000211400_100000185155 [0,0,0,1,0,0|3,0,0]=4 7788 B14R1.7343 O=C(CN1CCCCCCC1)NCO 34a_100000211400_100000185155 [0,0,0,1,0,0|3,0,0]=4 7789 B14R1.7343 [13CH3]SCC(=O)NC1CCCCCCC1 62a_100000183010_200025704644 [0,0,0,1,0,0|3,0,0]=4 7790 B14R1.7343 [13CH3]SCC(=O)NC1CCCCCCC1 62a_200025704644_100000183010 [0,0,0,1,0,0|3,0,0]=4 7791 B11R0.3 C#CCCCCCCCOCC 34a_100000054614_100000210202 [2,0,0,0,0,0|0,0,2]=4 7792 B11R0.3 C#CCCCCCCCOCC 34a_100121572206_100153394163 [2,0,0,0,0,0|0,0,2]=4 7793 B11R0.3 C#CCCCCCCCOCC 7a_100000054614_100000210202 [2,0,0,0,0,0|0,0,2]=4 7794 B11R0.3 C/C=C/CCOCCCCCC 34a_100016278192_100000210314 [2,0,0,0,0,0|1,0,1]=4 7795 B11R0.3 C/C=C/COCCCCCCC 34a_100000210272_100102629194 [2,0,0,0,0,0|1,0,1]=4 7796 B11R0.3 C/C=C/COCCCCCCC 34a_100016270725_100000210614 [2,0,0,0,0,0|1,0,1]=4 7797 B11R0.3 C/C=C/COCCCCCCC 7a_100000210272_100102629194 [2,0,0,0,0,0|1,0,1]=4 7798 B11R0.3 C/C=C/CSCCCCCCC 62a_100000210614_100102629194 [2,0,0,0,0,0|1,0,1]=4 7799 B11R0.3 C/C=C/CSCCCCCCC 62a_100102629194_100000210316 [2,0,0,0,0,0|1,0,1]=4 7800 B11R0.3 C=CCCCCCCCOCC 34a_100000730831_100000210202 [2,0,0,0,0,0|0,0,2]=4 7801 B11R0.3 C=CCCCCCCCOCC 34a_100121572206_100012355270 [2,0,0,0,0,0|0,0,2]=4 7802 B11R0.3 C=CCCCCCCCOCC 7a_100000730831_100000210202 [2,0,0,0,0,0|0,0,2]=4 7803 B11R0.3 CC/C=C/CCCOCCCC 34a_100016287902_100000210210 [2,0,0,0,0,0|1,0,1]=4 7804 B11R0.3 CC/C=C/CCCOCCCC 7a_100016287902_100000210211 [2,0,0,0,0,0|1,0,1]=4 7805 B11R0.3 CC/C=C\CCCCCNCC 269862a_100015525214_100016288537 [2,0,0,0,0,0|1,0,1]=4 7806 B11R0.3 CC/C=C\CCCCCOCC 34a_100016268722_100000210202 [2,0,0,0,0,0|0,0,2]=4 7807 B11R0.3 CC/C=C\CCCCCOCC 7a_100016268722_100000210202 [2,0,0,0,0,0|0,0,2]=4 7808 B11R0.3 CC/C=C\CCCCOCCC 34a_100016287862_100000210303 [2,0,0,0,0,0|1,0,1]=4 7809 B11R0.3 CC/C=C\CCCCOCCC 7a_100016287862_100000210303 [2,0,0,0,0,0|1,0,1]=4 7810 B11R0.3 CC/C=C\CCNCCCCC 2230a_100000209983_100015370543 [2,0,0,0,0,0|1,0,1]=4 7811 B11R0.3 CC/C=C\CCOCCCCC 34a_100000210253_100015370543 [2,0,0,0,0,0|1,0,1]=4 7812 B11R0.3 CC/C=C\CCOCCCCC 34a_100016288707_100000718602 [2,0,0,0,0,0|1,0,1]=4 7813 B11R0.3 CC/C=C\CCOCCCCC 7a_100000210253_100015370543 [2,0,0,0,0,0|1,0,1]=4 7814 B11R0.3 CC/C=C\CCOCCCCC 7a_100016288707_100000210326 [2,0,0,0,0,0|1,0,1]=4 7815 B11R0.3 CC/C=C\CCSCCCCC 62a_100000210326_100015370543 [2,0,0,0,0,0|1,0,1]=4 7816 B11R0.3 CC/C=C\CCSCCCCC 62a_100015370543_100000210326 [2,0,0,0,0,0|1,0,1]=4 7817 B11R0.3 CC/C=C\CNCCCCCC 2230a_100000210581_100103147603 [2,0,0,0,0,0|1,0,1]=4 7818 B11R0.3 CC/C=C\COCCCCCC 34a_100000210259_100103147603 [2,0,0,0,0,0|1,0,1]=4 7819 B11R0.3 CC/C=C\COCCCCCC 34a_100016268518_100000210314 [2,0,0,0,0,0|1,0,1]=4 7820 B11R0.3 CC/C=C\COCCCCCC 7a_100000210259_100103147603 [2,0,0,0,0,0|1,0,1]=4 7821 B11R0.3 CC/C=C\CSCCCCCC 62a_100000210314_100103147603 [2,0,0,0,0,0|1,0,1]=4 7822 B11R0.3 CC/C=C\CSCCCCCC 62a_100103147603_100000210757 [2,0,0,0,0,0|1,0,1]=4 7823 B11R0.3 CC=CCCCOCCCCC 34a_100020645299_100000718602 [2,0,0,0,0,0|1,0,1]=4 7824 B11R0.3 CC=CCNCCCCCCC 2230a_100000229938_100000070051 [2,0,0,0,0,0|1,0,1]=4 7825 B11R0.3 CC=CCOCCCCCCC 34a_100000210272_100000070051 [2,0,0,0,0,0|1,0,1]=4 7826 B11R0.3 CC=CCOCCCCCCC 7a_100000210272_100000070051 [2,0,0,0,0,0|1,0,1]=4 7827 B11R0.3 CC=CCSCCCCCCC 62a_100000070051_100000210316 [2,0,0,0,0,0|1,0,1]=4 7828 B11R0.3 CC=CCSCCCCCCC 62a_100000210614_100000070051 [2,0,0,0,0,0|1,0,1]=4 7829 B11R0.3 CCCCC#CCCCOCC 34a_100121572206_200000047210 [2,0,0,0,0,0|0,0,2]=4 7830 B11R0.3 CCCCC/C=C\CCOCC 34a_100016277358_100000210202 [2,0,0,0,0,0|0,0,2]=4 7831 B11R0.3 CCCCC/C=C\CCOCC 7a_100016277358_100000210202 [2,0,0,0,0,0|0,0,2]=4 7832 B11R0.3 CCCCCC#CCCOCC 34a_200000042877_100000210202 [2,0,0,0,0,0|0,0,2]=4 7833 B11R0.3 CCCCCC#CCCOCC 7a_200000042877_100000210202 [2,0,0,0,0,0|0,0,2]=4 7834 B11R0.3 CCCCCC/C=C/COCC 34a_200016276170_100000210202 [2,0,0,0,0,0|0,0,2]=4 7835 B11R0.3 CCCCCC/C=C/COCC 7a_200016276170_100000210202 [2,0,0,0,0,0|0,0,2]=4 7836 B11R0.3 CCCCCCC#CCOCC 34a_200000037284_100000210202 [2,0,0,0,0,0|0,0,2]=4 7837 B11R0.3 CCCCCCC#CCOCC 7a_200000037284_100000210202 [2,0,0,0,0,0|0,0,2]=4 7838 B11R0.3 CCCCCCCCCCNC 2230a_100000684558_200000210301 [2,0,0,0,0,0|1,0,1]=4 7839 B11R0.3 CCCCCCCCCCNC 2230a_106832991635_100000210320 [2,0,0,0,0,0|1,0,1]=4 7840 B11R0.3 CCCCCCCCCCNC 34a_100000684558_200000210301 [2,0,0,0,0,0|1,0,1]=4 7841 B11R0.3 CCCCCCCCCCNC 34a_100102657272_100000210320 [2,0,0,0,0,0|1,0,1]=4 7842 B11R0.3 CCCCCCCCCCNC 7a_106832991635_100000210320 [2,0,0,0,0,0|1,0,1]=4 7843 B11R0.3 CCCCCCCCCCN[13CH3] 2230a_100000684558_200025704644 [2,0,0,0,0,0|1,0,1]=4 7844 B11R0.3 CCCCCCCCCCN[13CH3] 34a_100000684558_200025704644 [2,0,0,0,0,0|1,0,1]=4 7845 B11R0.3 CCCCCCCCCCOC 34a_100000210711_200000210301 [2,0,0,0,0,0|0,0,1]=3 7846 B11R0.3 CCCCCCCCCCOC 34a_100138415774_100000210320 [2,0,0,0,0,0|0,0,1]=3 7847 B11R0.3 CCCCCCCCCCOC 7a_100000210711_200000210301 [2,0,0,0,0,0|0,0,1]=3 7848 B11R0.3 CCCCCCCCCCO[13CH3] 34a_100000210711_200025704644 [2,0,0,0,0,0|0,0,1]=3 7849 B11R0.3 CCCCCCCCCCO[13CH3] 7a_100000210711_200025704644 [2,0,0,0,0,0|0,0,1]=3 7850 B11R0.3 CCCCCCCCCCSC 62a_200000210301_100000210320 [2,0,0,0,0,0|0,1,1]=4 7851 B11R0.3 CCCCCCCCCCS[13CH3] 62a_200025704644_100000210320 [2,0,0,0,0,0|0,1,1]=4 7852 B11R0.3 CCCCCCCCCNCC 2230a_100000212291_100000210202 [2,0,0,0,0,0|1,0,0]=3 7853 B11R0.3 CCCCCCCCCNCC 2230a_100015525214_100011214924 [2,0,0,0,0,0|1,0,0]=3 7854 B11R0.3 CCCCCCCCCNCC 34a_100000212291_100000210202 [2,0,0,0,0,0|1,0,0]=3 7855 B11R0.3 CCCCCCCCCNCF 34a_100000212291_100015361967 [2,0,0,0,0,0|2,0,0]=4 7856 B11R0.3 CCCCCCCCCOCC 34a_100000210712_100000210202 [2,0,0,0,0,0|0,0,0]=2 7857 B11R0.3 CCCCCCCCCOCC 34a_100121572206_100011214924 [2,0,0,0,0,0|0,0,0]=2 7858 B11R0.3 CCCCCCCCCOCC 7a_100000210712_100000210202 [2,0,0,0,0,0|0,0,0]=2 7859 B11R0.3 CCCCCCCCCOCF 34a_100000210712_100015361967 [2,0,0,0,0,0|1,0,0]=3 7860 B11R0.3 CCCCCCCCCOCF 7a_100000210712_100015361967 [2,0,0,0,0,0|1,0,0]=3 7861 B11R0.3 CCCCCCCCCSCC 62a_100000210202_100000210670 [2,0,0,0,0,0|0,1,0]=3 7862 B11R0.3 CCCCCCCCCSCF 62a_100015361967_100000210670 [2,0,0,0,0,0|1,1,0]=4 7863 B11R0.3 CCCCCCCCNCCC 2230a_100000229939_100000210303 [2,0,0,0,0,0|1,0,1]=4 7864 B11R0.3 CCCCCCCCNCCC 34a_100000229939_100000210303 [2,0,0,0,0,0|1,0,1]=4 7865 B11R0.3 CCCCCCCCNCOC 2230a_100000229939_100000766300 [2,0,0,0,0,0|1,0,1]=4 7866 B11R0.3 CCCCCCCCOCCC 34a_100000210232_100000210303 [2,0,0,0,0,0|1,0,1]=4 7867 B11R0.3 CCCCCCCCOCCC 34a_100000210258_100000210759 [2,0,0,0,0,0|1,0,1]=4 7868 B11R0.3 CCCCCCCCOCCC 7a_100000210232_100000210303 [2,0,0,0,0,0|1,0,1]=4 7869 B11R0.3 CCCCCCCCSCCC 62a_100000210303_100000210317 [2,0,0,0,0,0|1,0,1]=4 7870 B11R0.3 CCCCCCCCSCCC 62a_100000210759_100000210303 [2,0,0,0,0,0|1,0,1]=4 7871 B11R0.3 CCCCCCCCSCOC 62a_100000210759_100000766300 [2,0,0,0,0,0|1,0,1]=4 7872 B11R0.3 CCCCCCCCSCOC 62a_100000766300_100000210317 [2,0,0,0,0,0|1,0,1]=4 7873 B11R0.3 CCCCCCCNCCCC 2230a_100000102301_100000210681 [2,0,0,0,0,0|1,0,1]=4 7874 B11R0.3 CCCCCCCNCCCC 2230a_100000229938_100000210211 [2,0,0,0,0,0|1,0,1]=4 7875 B11R0.3 CCCCCCCNCCCC 7a_106832991798_100000210614 [2,0,0,0,0,0|1,0,1]=4 7876 B11R0.3 CCCCCCCNCCOC 2230a_100000209980_100000210681 [2,0,0,0,0,0|1,0,1]=4 7877 B11R0.3 CCCCCCCNCCOC 2230a_100000229938_100011201679 [2,0,0,0,0,0|1,0,1]=4 7878 B11R0.3 CCCCCCCOCCCC 34a_100000210227_100000210614 [2,0,0,0,0,0|1,0,1]=4 7879 B11R0.3 CCCCCCCOCCCC 34a_100000210272_100000210210 [2,0,0,0,0,0|1,0,1]=4 7880 B11R0.3 CCCCCCCOCCCC 7a_100000210227_100000210614 [2,0,0,0,0,0|1,0,1]=4 7881 B11R0.3 CCCCCCCOCCCC 7a_100000210272_100000210211 [2,0,0,0,0,0|1,0,1]=4 7882 B11R0.3 CCCCCCCOCCOC 34a_100000210237_100000210614 [2,0,0,0,0,0|1,0,1]=4 7883 B11R0.3 CCCCCCCOCCOC 34a_100000210272_100011201679 [2,0,0,0,0,0|1,0,1]=4 7884 B11R0.3 CCCCCCCOCCOC 7a_100000210272_100000233755 [2,0,0,0,0,0|1,0,1]=4 7885 B11R0.3 CCCCCCCSCCCC 62a_100000210211_100000210316 [2,0,0,0,0,0|1,0,1]=4 7886 B11R0.3 CCCCCCCSCCCC 62a_100000210614_100000210210 [2,0,0,0,0,0|1,0,1]=4 7887 B11R0.3 CCCCCCCSCCOC 62a_100000210614_100000233755 [2,0,0,0,0,0|1,0,1]=4 7888 B11R0.3 CCCCCCCSCCOC 62a_100000233755_100000210316 [2,0,0,0,0,0|1,0,1]=4 7889 B11R0.3 CCCCCCCSCOCC 62a_100000210614_100000739092 [2,0,0,0,0,0|1,0,0]=3 7890 B11R0.3 CCCCCCCSCOCC 62a_100000739092_100000210316 [2,0,0,0,0,0|1,0,0]=3 7891 B11R0.3 CCCCCCNCCCCC 2230a_100000209983_100000210314 [2,0,0,0,0,0|1,0,1]=4 7892 B11R0.3 CCCCCCNCCCCC 2230a_100000210581_100000210326 [2,0,0,0,0,0|1,0,1]=4 7893 B11R0.3 CCCCCCNCCCOC 2230a_100000210581_100000740836 [2,0,0,0,0,0|1,0,1]=4 7894 B11R0.3 CCCCCCNCCCOC 34a_100150723488_100000210314 [2,0,0,0,0,0|1,0,1]=4 7895 B11R0.3 CCCCCCNCCOCC 2230a_100000210581_100011215890 [2,0,0,0,0,0|1,0,0]=3 7896 B11R0.3 CCCCCCNCCOCC 2230a_102516460346_100000210314 [2,0,0,0,0,0|1,0,0]=3 7897 B11R0.3 CCCCCCNCCOCC 34a_102516460346_100000210314 [2,0,0,0,0,0|1,0,0]=3 7898 B11R0.3 CCCCCCNCCSCC 2230a_100000106463_100000210314 [2,0,0,0,0,0|1,1,0]=4 7899 B11R0.3 CCCCCCNCCSCC 2230a_100000210581_100000757381 [2,0,0,0,0,0|1,1,0]=4 7900 B11R0.3 CCCCCCOCCCCC 34a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 7901 B11R0.3 CCCCCCOCCCCC 34a_100000210259_100000718602 [2,0,0,0,0,0|1,0,1]=4 7902 B11R0.3 CCCCCCOCCCCC 7a_100000210253_100000210314 [2,0,0,0,0,0|1,0,1]=4 7903 B11R0.3 CCCCCCOCCCCC 7a_100000210259_100000210326 [2,0,0,0,0,0|1,0,1]=4 7904 B11R0.3 CCCCCCOCCCOC 34a_100000210259_100000740836 [2,0,0,0,0,0|1,0,1]=4 7905 B11R0.3 CCCCCCOCCCOC 34a_100000740835_100000210314 [2,0,0,0,0,0|1,0,1]=4 7906 B11R0.3 CCCCCCOCCCOC 7a_100000210259_100000740836 [2,0,0,0,0,0|1,0,1]=4 7907 B11R0.3 CCCCCCOCCOCC 34a_100000210136_100000210314 [2,0,0,0,0,0|1,0,0]=3 7908 B11R0.3 CCCCCCOCCOCC 34a_100000210259_100000210147 [2,0,0,0,0,0|1,0,0]=3 7909 B11R0.3 CCCCCCOCCOCC 34a_100000691444_100000210202 [2,0,0,0,0,0|1,0,0]=3 7910 B11R0.3 CCCCCCOCCOCC 7a_100000210136_100000210314 [2,0,0,0,0,0|1,0,0]=3 7911 B11R0.3 CCCCCCOCCOCC 7a_100000210259_100011215890 [2,0,0,0,0,0|1,0,0]=3 7912 B11R0.3 CCCCCCOCCOCC 7a_100000691444_100000210202 [2,0,0,0,0,0|1,0,0]=3 7913 B11R0.3 CCCCCCOCCOCF 34a_100000691444_100015361967 [2,0,0,0,0,0|2,0,0]=4 7914 B11R0.3 CCCCCCOCCOCF 7a_100000691444_100015361967 [2,0,0,0,0,0|2,0,0]=4 7915 B11R0.3 CCCCCCOCCSCC 34a_100000210259_100000757381 [2,0,0,0,0,0|1,1,0]=4 7916 B11R0.3 CCCCCCOCCSCC 34a_100000212035_100000210314 [2,0,0,0,0,0|1,1,0]=4 7917 B11R0.3 CCCCCCOCCSCC 7a_100000210259_100000757381 [2,0,0,0,0,0|1,1,0]=4 7918 B11R0.3 CCCCCCOCCSCC 7a_100000212035_100000210314 [2,0,0,0,0,0|1,1,0]=4 7919 B11R0.3 CCCCCCSCCCCC 62a_100000210314_100000210326 [2,0,0,0,0,0|1,0,1]=4 7920 B11R0.3 CCCCCCSCCCCC 62a_100000210326_100000210757 [2,0,0,0,0,0|1,0,1]=4 7921 B11R0.3 CCCCCCSCCCOC 62a_100000210314_100000709357 [2,0,0,0,0,0|1,0,1]=4 7922 B11R0.3 CCCCCCSCCCOC 62a_100000709357_100000210757 [2,0,0,0,0,0|1,0,1]=4 7923 B11R0.3 CCCCCCSCCOCC 62a_100000210147_100000210757 [2,0,0,0,0,0|1,0,0]=3 7924 B11R0.3 CCCCCCSCCOCC 62a_100000210314_100011215890 [2,0,0,0,0,0|1,0,0]=3 7925 B11R0.3 CCCCCCSCCSCC 62a_100000210314_100000757381 [2,0,0,0,0,0|1,1,0]=4 7926 B11R0.3 CCCCCCSCCSCC 62a_100000757381_100000210757 [2,0,0,0,0,0|1,1,0]=4 7927 B11R0.3 CCCCCNCCCCOC 2230a_100000209983_100000730899 [2,0,0,0,0,0|1,0,1]=4 7928 B11R0.3 CCCCCNCCCOCC 2230a_100000209983_100012232248 [2,0,0,0,0,0|1,0,0]=3 7929 B11R0.3 CCCCCNCCCOCC 2230a_100000210961_100000210326 [2,0,0,0,0,0|1,0,0]=3 7930 B11R0.3 CCCCCNCCCOCC 34a_100000210961_100000718602 [2,0,0,0,0,0|1,0,0]=3 7931 B11R0.3 CCCCCOCCCCOC 34a_100000210253_100000755781 [2,0,0,0,0,0|1,0,1]=4 7932 B11R0.3 CCCCCOCCCCOC 34a_100000740925_100000718602 [2,0,0,0,0,0|1,0,1]=4 7933 B11R0.3 CCCCCOCCCCOC 7a_100000210253_100000730899 [2,0,0,0,0,0|1,0,1]=4 7934 B11R0.3 CCCCCOCCCOCC 34a_100000210253_100012232248 [2,0,0,0,0,0|1,0,0]=3 7935 B11R0.3 CCCCCOCCCOCC 34a_100000757476_100000718602 [2,0,0,0,0,0|1,0,0]=3 7936 B11R0.3 CCCCCOCCCOCC 7a_100000210253_100012232248 [2,0,0,0,0,0|1,0,0]=3 7937 B11R0.3 CCCCCOCCCOCC 7a_100000757476_100000210326 [2,0,0,0,0,0|1,0,0]=3 7938 B11R0.3 CCCCCOCCCSCC 34a_100011216438_100000718602 [2,0,0,0,0,0|1,1,0]=4 7939 B11R0.3 CCCCCOCCCSCC 7a_100011216438_100000210326 [2,0,0,0,0,0|1,1,0]=4 7940 B11R0.3 CCCCCSCCCCOC 62a_100000210326_100000730899 [2,0,0,0,0,0|1,0,1]=4 7941 B11R0.3 CCCCCSCCCCOC 62a_100000730899_100000210326 [2,0,0,0,0,0|1,0,1]=4 7942 B11R0.3 CCCCCSCCCOCC 62a_100000210326_100012232248 [2,0,0,0,0,0|1,0,0]=3 7943 B11R0.3 CCCCCSCCCOCC 62a_100012232248_100000210326 [2,0,0,0,0,0|1,0,0]=3 7944 B11R0.3 CCCCNCCCCCOC 2230a_100000747528_100000210211 [2,0,0,0,0,0|1,0,1]=4 7945 B11R0.3 CCCCNCCCCCOC 34a_100000747528_100000210210 [2,0,0,0,0,0|1,0,1]=4 7946 B11R0.3 CCCCNCCCCOCC 34a_200011216965_100000210202 [2,0,0,0,0,0|1,0,0]=3 7947 B11R0.3 CCCCNCCCCOCF 34a_200011216965_100015361967 [2,0,0,0,0,0|2,0,0]=4 7948 B11R0.3 CCCCOCCCCOCC 34a_200000760531_100000210202 [2,0,0,0,0,0|1,0,0]=3 7949 B11R0.3 CCCCOCCCCOCC 7a_200000760531_100000210202 [2,0,0,0,0,0|1,0,0]=3 7950 B11R0.3 CCCCOCCCCOCF 34a_200000760531_100015361967 [2,0,0,0,0,0|2,0,0]=4 7951 B11R0.3 CCCCOCCCCOCF 7a_200000760531_100015361967 [2,0,0,0,0,0|2,0,0]=4 7952 B11R0.3 CCCCOCCSCOCC 62a_100000739092_100000743108 [2,0,0,0,0,0|2,0,0]=4 7953 B11R0.3 CCCCOCCSCOCC 62a_100000743108_100000739092 [2,0,0,0,0,0|2,0,0]=4 7954 B11R0.3 CCCCOCNCCOCC 2230a_102516460346_100011995733 [2,0,0,0,0,0|2,0,0]=4 7955 B11R0.3 CCCCOCNCCOCC 34a_102516460346_100011995733 [2,0,0,0,0,0|2,0,0]=4 7956 B11R0.3 CCCCOCOCCOCC 34a_100000210136_100011995733 [2,0,0,0,0,0|2,0,0]=4 7957 B11R0.3 CCCCOCSCCOCC 62a_100000210147_100011995733 [2,0,0,0,0,0|2,0,0]=4 7958 B11R0.3 CCCCOCSCCOCC 62a_100011995733_100011215890 [2,0,0,0,0,0|2,0,0]=4 7959 B11R0.3 CCCNCCOCCOCC 2230a_100102712874_100000210303 [2,0,0,0,0,0|2,0,0]=4 7960 B11R0.3 CCCNCCOCCOCC 34a_100102712874_100000210303 [2,0,0,0,0,0|2,0,0]=4 7961 B11R0.3 CCCOCCCCCCOC 34a_100000210258_100011998445 [2,0,0,0,0,0|1,0,1]=4 7962 B11R0.3 CCCOCCCCCCOC 34a_200012092642_100000210303 [2,0,0,0,0,0|1,0,1]=4 7963 B11R0.3 CCCOCCCCCCOC 7a_200012092642_100000210303 [2,0,0,0,0,0|1,0,1]=4 7964 B11R0.3 CCCOCCNCCOCC 2230a_100161115042_100011215890 [2,0,0,0,0,0|2,0,0]=4 7965 B11R0.3 CCCOCCNCCOCC 2230a_102516460346_100011215938 [2,0,0,0,0,0|2,0,0]=4 7966 B11R0.3 CCCOCCNCCOCC 34a_100161115042_100000210147 [2,0,0,0,0,0|2,0,0]=4 7967 B11R0.3 CCCOCCNCCOCC 34a_102516460346_100011215938 [2,0,0,0,0,0|2,0,0]=4 7968 B11R0.3 CCCOCCOCCOCC 34a_100000210136_100011215938 [2,0,0,0,0,0|2,0,0]=4 7969 B11R0.3 CCCOCCOCCOCC 34a_100000210240_100000210303 [2,0,0,0,0,0|2,0,0]=4 7970 B11R0.3 CCCOCCOCCOCC 34a_100000210258_100011211534 [2,0,0,0,0,0|2,0,0]=4 7971 B11R0.3 CCCOCCOCCOCC 34a_100000752267_100000210147 [2,0,0,0,0,0|2,0,0]=4 7972 B11R0.3 CCCOCCOCCOCC 7a_100000210136_100011215938 [2,0,0,0,0,0|2,0,0]=4 7973 B11R0.3 CCCOCCOCCOCC 7a_100000210240_100000210303 [2,0,0,0,0,0|2,0,0]=4 7974 B11R0.3 CCCOCCOCCOCC 7a_100000752267_100011215890 [2,0,0,0,0,0|2,0,0]=4 7975 B11R0.3 CCCOCCSCCOCC 62a_100000210147_100011215938 [2,0,0,0,0,0|2,0,0]=4 7976 B11R0.3 CCCOCCSCCOCC 62a_100011215938_100011215890 [2,0,0,0,0,0|2,0,0]=4 7977 B11R0.3 CCCSCCCCCCOC 62a_100000210303_100011998445 [2,0,0,0,0,0|1,0,1]=4 7978 B11R0.3 CCCSCCCCCCOC 62a_100011998445_100000210303 [2,0,0,0,0,0|1,0,1]=4 7979 B11R0.3 CCCSCCNCCOCC 2230a_100020603323_100011215890 [2,0,0,0,0,0|2,0,0]=4 7980 B11R0.3 CCCSCCOCCOCC 34a_200000230433_100000210147 [2,0,0,0,0,0|2,0,0]=4 7981 B11R0.3 CCCSCCOCCOCC 62a_100000210303_100011211534 [2,0,0,0,0,0|2,0,0]=4 7982 B11R0.3 CCCSCCOCCOCC 62a_100011211534_100000210303 [2,0,0,0,0,0|2,0,0]=4 7983 B11R0.3 CCCSCCOCCOCC 7a_200000230433_100011215890 [2,0,0,0,0,0|2,0,0]=4 7984 B11R0.3 CCNCCCCCCCCO 2230a_100015525214_100000033203 [2,0,0,0,0,0|2,0,0]=4 7985 B11R0.3 CCNCCCCCCCCO 2230a_102515433106_100000210202 [2,0,0,0,0,0|2,0,0]=4 7986 B11R0.3 CCNCCCCCCCCO 34a_102515433106_100000210202 [2,0,0,0,0,0|2,0,0]=4 7987 B11R0.3 CCOCCCCCCCCBr 34a_100009813846_100000210202 [2,0,0,0,0,0|1,0,0]=3 7988 B11R0.3 CCOCCCCCCCCBr 7a_100009813846_100000210202 [2,0,0,0,0,0|1,0,0]=3 7989 B11R0.3 CCOCCCCCCCCCl 34a_100000033203_100000210202 [2,0,0,0,0,0|1,0,0]=3 7990 B11R0.3 CCOCCCCCCCCCl 7a_100000033203_100000210202 [2,0,0,0,0,0|1,0,0]=3 7991 B11R0.3 CCOCCCCCCCCN 34a_102515433106_100000210202 [2,0,0,0,0,0|1,0,0]=3 7992 B11R0.3 CCOCCCCCCCCO 34a_100121572206_100000033203 [2,0,0,0,0,0|1,0,0]=3 7993 B11R0.3 CCOCCCCCNCCN 34a_103619048469_100000210202 [2,0,0,0,0,0|2,0,0]=4 7994 B11R0.3 CCOCCCNCCCCF 2230a_100000210961_100000729493 [2,0,0,0,0,0|2,0,0]=4 7995 B11R0.3 CCOCCCNCCCCF 34a_100000210961_100000729493 [2,0,0,0,0,0|2,0,0]=4 7996 B11R0.3 CCOCCCNCCCCO 2230a_100000210961_100000210776 [2,0,0,0,0,0|2,0,0]=4 7997 B11R0.3 CCOCCCNCCCCO 2230a_100000750430_100012232248 [2,0,0,0,0,0|2,0,0]=4 7998 B11R0.3 CCOCCCNCCCCO 34a_100000210961_100011216708 [2,0,0,0,0,0|2,0,0]=4 7999 B11R0.3 CCOCCCNCCCCO 34a_100000750430_100012232248 [2,0,0,0,0,0|2,0,0]=4 8000 B11R0.3 CCOCCCNCCCOC 2230a_100000210961_100000740836 [2,0,0,0,0,0|2,0,0]=4 8001 B11R0.3 CCOCCCNCCCOC 34a_100000210961_100000740836 [2,0,0,0,0,0|2,0,0]=4 8002 B11R0.3 CCOCCCNCCCOC 34a_100150723488_100012232248 [2,0,0,0,0,0|2,0,0]=4 8003 B11R0.3 CCOCCCNCCCSC 2230a_100000749238_100012232248 [2,0,0,0,0,0|2,0,0]=4 8004 B11R0.3 CCOCCCNCCOCC 2230a_100000210961_100011215890 [2,0,0,0,0,0|2,0,0]=4 8005 B11R0.3 CCOCCCNCCOCC 2230a_102516460346_100012232248 [2,0,0,0,0,0|2,0,0]=4 8006 B11R0.3 CCOCCCNCCOCC 34a_100000210961_100000210147 [2,0,0,0,0,0|2,0,0]=4 8007 B11R0.3 CCOCCCNCCOCC 34a_102516460346_100012232248 [2,0,0,0,0,0|2,0,0]=4 8008 B11R0.3 CCOCCCNCCSCC 2230a_100000106463_100012232248 [2,0,0,0,0,0|2,0,0]=4 8009 B11R0.3 CCOCCCNCCSCC 2230a_100000210961_100000757381 [2,0,0,0,0,0|2,0,0]=4 8010 B11R0.3 CCOCCCNCCSCC 34a_100000210961_100000757381 [2,0,0,0,0,0|2,0,0]=4 8011 B11R0.3 CCOCCCOCCCCBr 34a_100011216708_100012232248 [2,0,0,0,0,0|2,0,0]=4 8012 B11R0.3 CCOCCCOCCCCCl 34a_100000210776_100012232248 [2,0,0,0,0,0|2,0,0]=4 8013 B11R0.3 CCOCCCOCCCCCl 7a_100000210776_100012232248 [2,0,0,0,0,0|2,0,0]=4 8014 B11R0.3 CCOCCCOCCCCF 34a_100000757476_100000729493 [2,0,0,0,0,0|2,0,0]=4 8015 B11R0.3 CCOCCCOCCCCF 34a_100011995726_100012232248 [2,0,0,0,0,0|2,0,0]=4 8016 B11R0.3 CCOCCCOCCCCF 7a_100000757476_100000729493 [2,0,0,0,0,0|2,0,0]=4 8017 B11R0.3 CCOCCCOCCCCF 7a_100011995726_100012232248 [2,0,0,0,0,0|2,0,0]=4 8018 B11R0.3 CCOCCCOCCCCI 34a_200012148704_100012232248 [2,0,0,0,0,0|2,0,0]=4 8019 B11R0.3 CCOCCCOCCCCN 34a_100000750430_100012232248 [2,0,0,0,0,0|2,0,0]=4 8020 B11R0.3 CCOCCCOCCCCO 34a_100000757476_100011216708 [2,0,0,0,0,0|2,0,0]=4 8021 B11R0.3 CCOCCCOCCCCO 7a_100000757476_100000210776 [2,0,0,0,0,0|2,0,0]=4 8022 B11R0.3 CCOCCCOCCCNC 34a_100000213112_100012232248 [2,0,0,0,0,0|2,0,0]=4 8023 B11R0.3 CCOCCCOCCCOC 34a_100000740835_100012232248 [2,0,0,0,0,0|2,0,0]=4 8024 B11R0.3 CCOCCCOCCCOC 34a_100000757476_100000740836 [2,0,0,0,0,0|2,0,0]=4 8025 B11R0.3 CCOCCCOCCCOC 34a_200011215475_100000210202 [2,0,0,0,0,0|2,0,0]=4 8026 B11R0.3 CCOCCCOCCCOC 7a_100000757476_100000740836 [2,0,0,0,0,0|2,0,0]=4 8027 B11R0.3 CCOCCCOCCCOC 7a_200011215475_100000210202 [2,0,0,0,0,0|2,0,0]=4 8028 B11R0.3 CCOCCCOCCCSC 34a_100000690336_100012232248 [2,0,0,0,0,0|2,0,0]=4 8029 B11R0.3 CCOCCCOCCCSC 7a_100000690336_100012232248 [2,0,0,0,0,0|2,0,0]=4 8030 B11R0.3 CCOCCCOCCOCC 34a_100000210136_100012232248 [2,0,0,0,0,0|2,0,0]=4 8031 B11R0.3 CCOCCCOCCOCC 34a_100000757476_100000210147 [2,0,0,0,0,0|2,0,0]=4 8032 B11R0.3 CCOCCCOCCOCC 7a_100000210136_100012232248 [2,0,0,0,0,0|2,0,0]=4 8033 B11R0.3 CCOCCCOCCOCC 7a_100000757476_100011215890 [2,0,0,0,0,0|2,0,0]=4 8034 B11R0.3 CCOCCCOCCSCC 34a_100000212035_100012232248 [2,0,0,0,0,0|2,0,0]=4 8035 B11R0.3 CCOCCCOCCSCC 34a_100000757476_100000757381 [2,0,0,0,0,0|2,0,0]=4 8036 B11R0.3 CCOCCCOCCSCC 7a_100000212035_100012232248 [2,0,0,0,0,0|2,0,0]=4 8037 B11R0.3 CCOCCCOCCSCC 7a_100000757476_100000757381 [2,0,0,0,0,0|2,0,0]=4 8038 B11R0.3 CCOCCCSCCCCF 62a_100000729493_100012232248 [2,0,0,0,0,0|2,0,0]=4 8039 B11R0.3 CCOCCCSCCCCF 62a_100012232248_100000729493 [2,0,0,0,0,0|2,0,0]=4 8040 B11R0.3 CCOCCCSCCCCO 62a_100000210776_100012232248 [2,0,0,0,0,0|2,0,0]=4 8041 B11R0.3 CCOCCCSCCCCO 62a_100012232248_100000210776 [2,0,0,0,0,0|2,0,0]=4 8042 B11R0.3 CCOCCCSCCCOC 62a_100000709357_100012232248 [2,0,0,0,0,0|2,0,0]=4 8043 B11R0.3 CCOCCCSCCCOC 62a_100012232248_100000709357 [2,0,0,0,0,0|2,0,0]=4 8044 B11R0.3 CCOCCCSCCOCC 62a_100000210147_100012232248 [2,0,0,0,0,0|2,0,0]=4 8045 B11R0.3 CCOCCCSCCOCC 62a_100012232248_100011215890 [2,0,0,0,0,0|2,0,0]=4 8046 B11R0.3 CCOCCCSCCSCC 62a_100000757381_100012232248 [2,0,0,0,0,0|2,0,0]=4 8047 B11R0.3 CCOCCCSCCSCC 62a_100012232248_100000757381 [2,0,0,0,0,0|2,0,0]=4 8048 B11R0.3 CCOCCNCCCCCF 2230a_102516460346_100000729378 [2,0,0,0,0,0|2,0,0]=4 8049 B11R0.3 CCOCCNCCCCCF 34a_102516460346_100000729378 [2,0,0,0,0,0|2,0,0]=4 8050 B11R0.3 CCOCCNCCCCCO 2230a_100000762737_100011215890 [2,0,0,0,0,0|2,0,0]=4 8051 B11R0.3 CCOCCNCCCCCO 2230a_102516460346_100000746330 [2,0,0,0,0,0|2,0,0]=4 8052 B11R0.3 CCOCCNCCCCCO 34a_100000762737_100000210147 [2,0,0,0,0,0|2,0,0]=4 8053 B11R0.3 CCOCCNCCCCCO 34a_102516460346_100000746330 [2,0,0,0,0,0|2,0,0]=4 8054 B11R0.3 CCOCCNCCCCOC 2230a_102516460346_100000730899 [2,0,0,0,0,0|2,0,0]=4 8055 B11R0.3 CCOCCNCCCCOC 34a_102516460346_100000755781 [2,0,0,0,0,0|2,0,0]=4 8056 B11R0.3 CCOCCOCCCCCBr 34a_100000746331_100000210147 [2,0,0,0,0,0|2,0,0]=4 8057 B11R0.3 CCOCCOCCCCCBr 7a_100000746331_100011215890 [2,0,0,0,0,0|2,0,0]=4 8058 B11R0.3 CCOCCOCCCCCCl 34a_100000746330_100000210147 [2,0,0,0,0,0|2,0,0]=4 8059 B11R0.3 CCOCCOCCCCCCl 7a_100000746330_100011215890 [2,0,0,0,0,0|2,0,0]=4 8060 B11R0.3 CCOCCOCCCCCF 34a_100000210136_100000729378 [2,0,0,0,0,0|2,0,0]=4 8061 B11R0.3 CCOCCOCCCCCF 7a_100000210136_100000729378 [2,0,0,0,0,0|2,0,0]=4 8062 B11R0.3 CCOCCOCCCCCI 34a_200012148887_100000210147 [2,0,0,0,0,0|2,0,0]=4 8063 B11R0.3 CCOCCOCCCCCI 7a_200012148887_100011215890 [2,0,0,0,0,0|2,0,0]=4 8064 B11R0.3 CCOCCOCCCCCN 34a_100000762737_100000210147 [2,0,0,0,0,0|2,0,0]=4 8065 B11R0.3 CCOCCOCCCCCO 34a_100000210136_100000746330 [2,0,0,0,0,0|2,0,0]=4 8066 B11R0.3 CCOCCOCCCCCO 7a_100000210136_100000746330 [2,0,0,0,0,0|2,0,0]=4 8067 B11R0.3 CCOCCOCCCCOC 34a_100000210136_100000755781 [2,0,0,0,0,0|2,0,0]=4 8068 B11R0.3 CCOCCOCCCCOC 34a_100000740925_100000210147 [2,0,0,0,0,0|2,0,0]=4 8069 B11R0.3 CCOCCOCCCCOC 7a_100000210136_100000730899 [2,0,0,0,0,0|2,0,0]=4 8070 B11R0.3 CCOCCOCCCCSC 34a_100011217163_100000210147 [2,0,0,0,0,0|2,0,0]=4 8071 B11R0.3 CCOCCOCCCCSC 7a_100011217163_100011215890 [2,0,0,0,0,0|2,0,0]=4 8072 B11R0.3 CCOCCOCCCSCC 34a_100011216438_100000210147 [2,0,0,0,0,0|2,0,0]=4 8073 B11R0.3 CCOCCOCCCSCC 7a_100011216438_100011215890 [2,0,0,0,0,0|2,0,0]=4 8074 B11R0.3 CCOCCSCCCCCF 62a_100000210147_100000729378 [2,0,0,0,0,0|2,0,0]=4 8075 B11R0.3 CCOCCSCCCCCF 62a_100000729378_100011215890 [2,0,0,0,0,0|2,0,0]=4 8076 B11R0.3 CCOCCSCCCCCO 62a_100000210147_100000746330 [2,0,0,0,0,0|2,0,0]=4 8077 B11R0.3 CCOCCSCCCCCO 62a_100000746330_100011215890 [2,0,0,0,0,0|2,0,0]=4 8078 B11R0.3 CCOCCSCCCCOC 62a_100000210147_100000730899 [2,0,0,0,0,0|2,0,0]=4 8079 B11R0.3 CCOCCSCCCCOC 62a_100000730899_100011215890 [2,0,0,0,0,0|2,0,0]=4 8080 B11R0.3 CCOCSCCCCCCF 62a_100000739092_100015922095 [2,0,0,0,0,0|2,0,0]=4 8081 B11R0.3 CCOCSCCCCCCF 62a_100015922095_100000739092 [2,0,0,0,0,0|2,0,0]=4 8082 B11R0.3 CCOCSCCCCCCO 62a_100000739092_100000766143 [2,0,0,0,0,0|2,0,0]=4 8083 B11R0.3 CCOCSCCCCCCO 62a_100000766143_100000739092 [2,0,0,0,0,0|2,0,0]=4 8084 B11R0.3 CCSCCCCCCCCO 62a_100000033203_100000210202 [2,0,0,0,0,0|1,1,0]=4 8085 B11R0.3 CCSCCCCCCCCO 62a_100000210202_100000033203 [2,0,0,0,0,0|1,1,0]=4 8086 B11R0.3 COCCCCCCCCCBr 34a_100009813782_200000210301 [2,0,0,0,0,0|1,0,1]=4 8087 B11R0.3 COCCCCCCCCCBr 7a_100009813782_200000210301 [2,0,0,0,0,0|1,0,1]=4 8088 B11R0.3 COCCCCCCCCCCl 34a_100009868337_200000210301 [2,0,0,0,0,0|1,0,1]=4 8089 B11R0.3 COCCCCCCCCCCl 7a_100009868337_200000210301 [2,0,0,0,0,0|1,0,1]=4 8090 B11R0.3 COCCCCCCCCCN 34a_100000078944_200000210301 [2,0,0,0,0,0|1,0,1]=4 8091 B11R0.3 COCCCCCCCCCO 34a_100138415774_100009813782 [2,0,0,0,0,0|1,0,1]=4 8092 B11R0.3 FCOCCCCCCCCBr 34a_100009813846_100015361967 [2,0,0,0,0,0|2,0,0]=4 8093 B11R0.3 FCOCCCCCCCCBr 7a_100009813846_100015361967 [2,0,0,0,0,0|2,0,0]=4 8094 B11R0.3 FCOCCCCCCCCCl 34a_100000033203_100015361967 [2,0,0,0,0,0|2,0,0]=4 8095 B11R0.3 FCOCCCCCCCCCl 7a_100000033203_100015361967 [2,0,0,0,0,0|2,0,0]=4 8096 B11R0.3 NCCCCCCCCOCF 34a_102515433106_100015361967 [2,0,0,0,0,0|2,0,0]=4 8097 B11R0.3 [13CH3]OCCCCCCCCCBr 34a_100009813782_200025704644 [2,0,0,0,0,0|1,0,1]=4 8098 B11R0.3 [13CH3]OCCCCCCCCCBr 7a_100009813782_200025704644 [2,0,0,0,0,0|1,0,1]=4 8099 B11R0.3 [13CH3]OCCCCCCCCCCl 34a_100009868337_200025704644 [2,0,0,0,0,0|1,0,1]=4 8100 B11R0.3 [13CH3]OCCCCCCCCCCl 7a_100009868337_200025704644 [2,0,0,0,0,0|1,0,1]=4 8101 B11R0.3 [13CH3]OCCCCCCCCCN 34a_100000078944_200025704644 [2,0,0,0,0,0|1,0,1]=4 8102 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [2,0,0,0,0,0|1,0,1]=4 8103 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [2,0,0,0,0,0|1,0,1]=4 8104 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [2,0,0,0,0,0|2,0,0]=4 8105 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [2,0,0,0,0,0|2,0,0]=4 8106 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [2,0,0,0,0,0|2,0,0]=4 8107 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [2,0,0,0,0,0|2,0,0]=4 8108 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [2,0,0,0,0,0|1,0,0]=3 8109 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [2,0,0,0,0,0|1,0,0]=3 8110 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [2,0,0,0,0,0|2,0,0]=4 8111 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [2,0,0,0,0,0|2,0,0]=4 8112 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [2,0,0,0,0,0|2,0,0]=4 8113 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [2,0,0,0,0,0|2,0,0]=4 8114 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [2,0,0,0,0,0|2,0,0]=4 8115 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 8116 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 8117 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [2,0,0,0,0,0|1,0,0]=3 8118 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [2,0,0,0,0,0|2,0,0]=4 8119 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [2,0,0,0,0,0|1,0,1]=4 8120 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [2,0,0,0,0,0|1,0,1]=4 8121 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [2,0,0,0,0,0|1,0,1]=4 8122 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 8123 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 8124 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 8125 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [2,0,0,0,0,0|2,0,0]=4 8126 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 8127 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 8128 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 8129 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 8130 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [2,0,0,0,0,0|2,0,0]=4 8131 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [2,0,0,0,0,0|2,0,0]=4 8132 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [2,0,0,0,0,0|2,0,0]=4 8133 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [2,0,0,0,0,0|2,0,0]=4 8134 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [2,0,0,0,0,0|2,0,0]=4 8135 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [2,0,0,0,0,0|1,0,0]=3 8136 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [2,0,0,0,0,0|2,0,0]=4 8137 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [2,0,0,0,0,0|2,0,0]=4 8138 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [2,0,0,0,0,0|2,0,0]=4 8139 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [2,0,0,0,0,0|1,0,0]=3 8140 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [2,0,0,0,0,0|1,0,0]=3 8141 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [2,0,0,0,0,0|2,0,0]=4 8142 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [2,0,0,0,0,0|2,0,0]=4 8143 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [2,0,0,0,0,0|2,0,0]=4 8144 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [2,0,0,0,0,0|2,0,0]=4 8145 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [2,0,0,0,0,0|1,0,0]=3 8146 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [2,0,0,0,0,0|1,0,0]=3 8147 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [2,0,0,0,0,0|2,0,0]=4 8148 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [2,0,0,0,0,0|2,0,0]=4 8149 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [2,0,0,0,0,0|2,0,0]=4 8150 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [2,0,0,0,0,0|1,0,0]=3 8151 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [2,0,0,0,0,0|1,0,0]=3 8152 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [2,0,0,0,0,0|2,0,0]=4 8153 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [2,0,0,0,0,0|2,0,0]=4 8154 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [2,0,0,0,0,0|1,0,0]=3 8155 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [2,0,0,0,0,0|1,0,0]=3 8156 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [2,0,0,0,0,0|2,0,0]=4 8157 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [2,0,0,0,0,0|2,0,0]=4 8158 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [2,0,0,0,0,0|1,0,0]=3 8159 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [2,0,0,0,0,0|1,0,0]=3 8160 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [2,0,0,0,0,0|2,0,0]=4 8161 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [2,0,0,0,0,0|1,0,0]=3 8162 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [2,0,0,0,0,0|1,0,0]=3 8163 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [2,0,0,0,0,0|2,0,0]=4 8164 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [2,0,0,0,0,0|1,0,0]=3 8165 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [2,0,0,0,0,0|1,0,0]=3 8166 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [2,0,0,0,0,0|2,0,0]=4 8167 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [2,0,0,0,0,0|2,0,0]=4 8168 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 8169 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 8170 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [2,0,0,0,0,0|2,0,0]=4 8171 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [2,0,0,0,0,0|1,0,0]=3 8172 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [2,0,0,0,0,0|2,0,0]=4 8173 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [2,0,0,0,0,0|1,0,0]=3 8174 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [2,0,0,0,0,0|1,0,0]=3 8175 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [2,0,0,0,0,0|1,0,0]=3 8176 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [2,0,0,0,0,0|1,0,0]=3 8177 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [2,0,0,0,0,0|1,0,0]=3 8178 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [2,0,0,0,0,0|1,0,0]=3 8179 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [2,0,0,0,0,0|1,0,0]=3 8180 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [2,0,0,0,0,0|1,0,0]=3 8181 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [2,0,0,0,0,0|1,0,0]=3 8182 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [2,0,0,0,0,0|1,0,0]=3 8183 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [2,0,0,0,0,0|1,0,0]=3 8184 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [2,0,0,0,0,0|1,0,0]=3 8185 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [2,0,0,0,0,0|2,0,0]=4 8186 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [2,0,0,0,0,0|2,0,0]=4 8187 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [2,0,0,0,0,0|2,0,0]=4 8188 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [2,0,0,0,0,0|2,0,0]=4 8189 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [2,0,0,0,0,0|2,0,0]=4 8190 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [2,0,0,0,0,0|2,0,0]=4 8191 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [2,0,0,0,0,0|2,0,0]=4 8192 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [2,0,0,0,0,0|2,0,0]=4 8193 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [2,0,0,0,0,0|2,0,0]=4 8194 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [2,0,0,0,0,0|2,0,0]=4 8195 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [2,0,0,0,0,0|2,0,0]=4 8196 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [2,0,0,0,0,0|2,0,0]=4 8197 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [2,0,0,0,0,0|2,0,0]=4 8198 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [2,0,0,0,0,0|2,0,0]=4 8199 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [2,0,0,0,0,0|2,0,0]=4 8200 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [2,0,0,0,0,0|2,0,0]=4 8201 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [2,0,0,0,0,0|2,0,0]=4 8202 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [2,0,0,0,0,0|2,0,0]=4 8203 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [2,0,0,0,0,0|2,0,0]=4 8204 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [2,0,0,0,0,0|2,0,0]=4 8205 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [2,0,0,0,0,0|2,0,0]=4 8206 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [2,0,0,0,0,0|2,0,0]=4 8207 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [2,0,0,0,0,0|2,0,0]=4 8208 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [2,0,0,0,0,0|2,0,0]=4 8209 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [2,0,0,0,0,0|2,0,0]=4 8210 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [2,0,0,0,0,0|2,0,0]=4 8211 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [2,0,0,0,0,0|2,0,0]=4 8212 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [2,0,0,0,0,0|2,0,0]=4 8213 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [2,0,0,0,0,0|2,0,0]=4 8214 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [2,0,0,0,0,0|2,0,0]=4 8215 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [2,0,0,0,0,0|2,0,0]=4 8216 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [2,0,0,0,0,0|2,0,0]=4 8217 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [2,0,0,0,0,0|2,0,0]=4 8218 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [2,0,0,0,0,0|2,0,0]=4 8219 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [2,0,0,0,0,0|2,0,0]=4 8220 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [2,0,0,0,0,0|2,0,0]=4 8221 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 8222 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 8223 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [2,0,0,0,0,0|2,0,0]=4 8224 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [2,0,0,0,0,0|2,0,0]=4 8225 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [2,0,0,0,0,0|2,0,0]=4 8226 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [2,0,0,0,0,0|2,0,0]=4 8227 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 8228 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 8229 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [2,0,0,0,0,0|2,0,0]=4 8230 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [2,0,0,0,0,0|2,0,0]=4 8231 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [2,0,0,0,0,0|2,0,0]=4 8232 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [2,0,0,0,0,0|2,0,0]=4 8233 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [2,0,0,0,0,0|2,0,0]=4 8234 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [2,0,0,0,0,0|2,0,0]=4 8235 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [2,0,0,0,0,0|2,0,0]=4 8236 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [2,0,0,0,0,0|2,0,0]=4 8237 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [2,0,0,0,0,0|2,0,0]=4 8238 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [2,0,0,0,0,0|2,0,0]=4 8239 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [2,0,0,0,0,0|2,0,0]=4 8240 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [2,0,0,0,0,0|2,0,0]=4 8241 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [2,0,0,0,0,0|2,0,0]=4 8242 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [2,0,0,0,0,0|2,0,0]=4 8243 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [2,0,0,0,0,0|2,0,0]=4 8244 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [2,0,0,0,0,0|2,0,0]=4 8245 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [2,0,0,0,0,0|2,0,0]=4 8246 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [2,0,0,0,0,0|2,0,0]=4 8247 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [2,0,0,0,0,0|2,0,0]=4 8248 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [2,0,0,0,0,0|2,0,0]=4 8249 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [2,0,0,0,0,0|2,0,0]=4 8250 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [2,0,0,0,0,0|2,0,0]=4 8251 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [2,0,0,0,0,0|2,0,0]=4 8252 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [2,0,0,0,0,0|2,0,0]=4 8253 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [2,0,0,0,0,0|2,0,0]=4 8254 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [2,0,0,0,0,0|2,0,0]=4 8255 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [2,0,0,0,0,0|2,0,0]=4 8256 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [2,0,0,0,0,0|2,0,0]=4 8257 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [2,0,0,0,0,0|1,0,0]=3 8258 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [2,0,0,0,0,0|2,0,0]=4 8259 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [2,0,0,0,0,0|2,0,0]=4 8260 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [2,0,0,0,0,0|2,0,0]=4 8261 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [2,0,0,0,0,0|2,0,0]=4 8262 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [2,0,0,0,0,0|2,0,0]=4 8263 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [2,0,0,0,0,0|2,0,0]=4 8264 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [2,0,0,0,0,0|2,0,0]=4 8265 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [2,0,0,0,0,0|2,0,0]=4 8266 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [2,0,0,0,0,0|2,0,0]=4 8267 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [2,0,0,0,0,0|2,0,0]=4 8268 B11R0.40 C#CC(=O)CCCCCCCC 1458a_100000211873_100000210759 [2,0,0,0,0,0|0,0,2]=4 8269 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000034748_100000210202 [2,0,0,0,0,0|0,0,2]=4 8270 B11R0.40 C#CCCCCCCC(=O)CC 1458a_100000210414_100012276617 [2,0,0,0,0,0|0,0,2]=4 8271 B11R0.40 C=CC(=O)CCCCCCCC 1458a_100000185746_100000210759 [2,0,0,0,0,0|0,0,2]=4 8272 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100000210414_100011215473 [2,0,0,0,0,0|0,0,2]=4 8273 B11R0.40 C=CCCCCCCC(=O)CC 1458a_100011809334_100000210202 [2,0,0,0,0,0|0,0,2]=4 8274 B11R0.40 CCC(=O)CCCCCCC#N 1458a_100000210414_100009813337 [2,0,0,0,0,0|1,0,1]=4 8275 B11R0.40 CCC(=O)CCCCCCCO 1458a_100000210414_100000760002 [2,0,0,0,0,0|1,0,0]=3 8276 B11R0.40 CCC(=O)CCCCCCCO 1458a_100011219782_100000210202 [2,0,0,0,0,0|1,0,0]=3 8277 B11R0.40 CCC(=O)CCCCCCOC 1458a_100000210414_100011998445 [2,0,0,0,0,0|1,0,0]=3 8278 B11R0.40 CCC(=O)CCCOCCOC 1458a_100000210414_100011216529 [2,0,0,0,0,0|2,0,0]=4 8279 B11R0.40 CCC(=O)COCCCCCBr 7a_100000746331_100000747405 [2,0,0,0,0,0|2,0,0]=4 8280 B11R0.40 CCC(=O)COCCCCCCl 7a_100000746330_100000747405 [2,0,0,0,0,0|2,0,0]=4 8281 B11R0.40 CCC(=O)COCCCCCF 34a_100000725409_100000729378 [2,0,0,0,0,0|2,0,0]=4 8282 B11R0.40 CCC(=O)COCCCCCI 7a_200012148887_100000747405 [2,0,0,0,0,0|2,0,0]=4 8283 B11R0.40 CCC(=O)COCCCCCO 34a_100000725409_100000746330 [2,0,0,0,0,0|2,0,0]=4 8284 B11R0.40 CCC(=O)COCCCCOC 34a_100000725409_100000755781 [2,0,0,0,0,0|2,0,0]=4 8285 B11R0.40 CCC(=O)COCCCCSC 7a_100011217163_100000747405 [2,0,0,0,0,0|2,0,0]=4 8286 B11R0.40 CCC(=O)CSCCCCCF 62a_100000729378_100000747405 [2,0,0,0,0,0|2,0,0]=4 8287 B11R0.40 CCC(=O)CSCCCCCF 62a_100000747405_100000729378 [2,0,0,0,0,0|2,0,0]=4 8288 B11R0.40 CCC(=O)CSCCCCCO 62a_100000746330_100000747405 [2,0,0,0,0,0|2,0,0]=4 8289 B11R0.40 CCC(=O)CSCCCCCO 62a_100000747405_100000746330 [2,0,0,0,0,0|2,0,0]=4 8290 B11R0.40 CCC(=O)CSCCCCOC 62a_100000730899_100000747405 [2,0,0,0,0,0|2,0,0]=4 8291 B11R0.40 CCC(=O)CSCCCCOC 62a_100000747405_100000730899 [2,0,0,0,0,0|2,0,0]=4 8292 B11R0.40 CCC(=O)NCCCCCCO 240690a_100000686447_100000210414 [2,0,0,0,0,0|2,0,0]=4 8293 B11R0.40 CCC(=O)NCCCCCCO 527a_100000686447_100000210414 [2,0,0,0,0,0|2,0,0]=4 8294 B11R0.40 CCC(=O)NCCCCCOC 11a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 8295 B11R0.40 CCC(=O)NCCCCCOC 1626a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 8296 B11R0.40 CCC(=O)NCCCCCOC 240690a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 8297 B11R0.40 CCC(=O)NCCCCCOC 527a_100000747528_100000210414 [2,0,0,0,0,0|2,0,0]=4 8298 B11R0.40 CCCCC/C=C/CC(=O)CC 1458a_100020675968_100000210202 [2,0,0,0,0,0|0,0,2]=4 8299 B11R0.40 CCCCCC#CCC(=O)CC 1458a_100000210414_100009816472 [2,0,0,0,0,0|0,0,2]=4 8300 B11R0.40 CCCCCCC=CC(=O)CC 1458a_200015324643_100000210202 [2,0,0,0,0,0|0,0,2]=4 8301 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210188_100000210202 [2,0,0,0,0,0|0,0,0]=2 8302 B11R0.40 CCCCCCCCC(=O)CC 1458a_100000210414_100000210759 [2,0,0,0,0,0|0,0,0]=2 8303 B11R0.40 CCCCCCCCC(=O)CF 1458a_100000210188_100015361967 [2,0,0,0,0,0|1,0,0]=3 8304 B11R0.40 CCCCCCCCC(=O)CO 1458a_100000210174_100000210759 [2,0,0,0,0,0|1,0,0]=3 8305 B11R0.40 CCCCCCCCC(=O)NC 11a_106832991635_100000210188 [2,0,0,0,0,0|1,0,0]=3 8306 B11R0.40 CCCCCCCCC(=O)NC 1626a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 8307 B11R0.40 CCCCCCCCC(=O)NC 240690a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 8308 B11R0.40 CCCCCCCCC(=O)NC 527a_100102657272_100000210188 [2,0,0,0,0,0|1,0,0]=3 8309 B11R0.40 CCCCCCCCC(C)OC 34a_100000210740_200000210301 [2,0,0,0,0,0|1,0,1]=4 8310 B11R0.40 CCCCCCCCC(C)OC 7a_100000210740_200000210301 [2,0,0,0,0,0|1,0,1]=4 8311 B11R0.40 CCCCCCCCC(C)O[13CH3] 34a_100000210740_200025704644 [2,0,0,0,0,0|1,0,1]=4 8312 B11R0.40 CCCCCCCCC(C)O[13CH3] 7a_100000210740_200025704644 [2,0,0,0,0,0|1,0,1]=4 8313 B11R0.40 CCCCCCCCN(C)CC 2230a_100000207567_100000210202 [2,0,0,0,0,0|2,0,0]=4 8314 B11R0.40 CCCCCCCCN(C)CC 2230a_100000225621_100000210759 [2,0,0,0,0,0|2,0,0]=4 8315 B11R0.40 CCCCCCCCN(C)CC 269982a_100000207567_100000204670 [2,0,0,0,0,0|2,0,0]=4 8316 B11R0.40 CCCCCCCCN(C)CC 269982a_100000225621_100000210759 [2,0,0,0,0,0|2,0,0]=4 8317 B11R0.40 CCCCCCCNC(=O)CC 11a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 8318 B11R0.40 CCCCCCCNC(=O)CC 1626a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 8319 B11R0.40 CCCCCCCNC(=O)CC 240690a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 8320 B11R0.40 CCCCCCCNC(=O)CC 527a_100000229938_100000210414 [2,0,0,0,0,0|1,0,0]=3 8321 B11R0.40 CCCCCCCNC(=O)CO 240690a_100000229938_100000210174 [2,0,0,0,0,0|2,0,0]=4 8322 B11R0.40 CCCCCCCNC(=O)CO 527a_100000229938_100000210174 [2,0,0,0,0,0|2,0,0]=4 8323 B11R0.40 CCCCCCCNC(=O)NC 2708a_100000229938_106832991635 [2,0,0,0,0,0|2,0,0]=4 8324 B11R0.40 CCCCCCCNC(=O)NC 2708a_100102657272_100000229938 [2,0,0,0,0,0|2,0,0]=4 8325 B11R0.40 CCCCCCCNC(=O)NC 273464a_100000229938_100102657272 [2,0,0,0,0,0|2,0,0]=4 8326 B11R0.40 CCCCCCCNC(=O)NC 273464a_100102657272_100000229938 [2,0,0,0,0,0|2,0,0]=4 8327 B11R0.40 CCCCCCCNC(=O)NC 512a_100000229938_100102657272 [2,0,0,0,0,0|2,0,0]=4 8328 B11R0.40 CCCCCCCNC(=O)NC 512a_106832991638_100000229938 [2,0,0,0,0,0|2,0,0]=4 8329 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000210581_100000183359 [2,0,0,0,0,0|2,0,0]=4 8330 B11R0.40 CCCCCCNCC(=O)NC 2230a_100000693194_100000210314 [2,0,0,0,0,0|2,0,0]=4 8331 B11R0.40 CCCCCCNCC(=O)OC 2230a_100000210581_100000747449 [2,0,0,0,0,0|1,0,0]=3 8332 B11R0.40 CCCCCCOCC(=O)CC 34a_100000725409_100000210314 [2,0,0,0,0,0|1,0,0]=3 8333 B11R0.40 CCCCCCOCC(=O)CC 7a_100000210259_100000747405 [2,0,0,0,0,0|1,0,0]=3 8334 B11R0.40 CCCCCCOCC(=O)NC 34a_100000210259_100000183359 [2,0,0,0,0,0|2,0,0]=4 8335 B11R0.40 CCCCCCOCC(=O)NC 34a_100000750040_100000210314 [2,0,0,0,0,0|2,0,0]=4 8336 B11R0.40 CCCCCCOCC(=O)NC 7a_100000210259_100000183359 [2,0,0,0,0,0|2,0,0]=4 8337 B11R0.40 CCCCCCOCC(=O)OC 34a_100000210259_100000747449 [2,0,0,0,0,0|1,0,0]=3 8338 B11R0.40 CCCCCCOCC(=O)OC 7a_100000210259_100000747449 [2,0,0,0,0,0|1,0,0]=3 8339 B11R0.40 CCCCCCSCC(=O)CC 62a_100000210314_100000747405 [2,0,0,0,0,0|1,0,0]=3 8340 B11R0.40 CCCCCCSCC(=O)CC 62a_100000747405_100000210757 [2,0,0,0,0,0|1,0,0]=3 8341 B11R0.40 CCCCCCSCC(=O)NC 62a_100000183359_100000210757 [2,0,0,0,0,0|2,0,0]=4 8342 B11R0.40 CCCCCCSCC(=O)NC 62a_100000210314_100000183359 [2,0,0,0,0,0|2,0,0]=4 8343 B11R0.40 CCCCCCSCC(=O)OC 62a_100000210314_100000747449 [2,0,0,0,0,0|1,0,0]=3 8344 B11R0.40 CCCCCCSCC(=O)OC 62a_100000747449_100000210757 [2,0,0,0,0,0|1,0,0]=3 8345 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000209983_100000737683 [2,0,0,0,0,0|2,0,0]=4 8346 B11R0.40 CCCCCNCCC(=O)NC 2230a_100000738227_100000210326 [2,0,0,0,0,0|2,0,0]=4 8347 B11R0.40 CCCCCNCCC(=O)NC 34a_100000738227_100000718602 [2,0,0,0,0,0|2,0,0]=4 8348 B11R0.40 CCCCCNCCC(=O)OC 2230a_100000209983_100000204255 [2,0,0,0,0,0|1,0,0]=3 8349 B11R0.40 CCCCCOCCC(=O)NC 34a_100000210253_100012179268 [2,0,0,0,0,0|2,0,0]=4 8350 B11R0.40 CCCCCOCCC(=O)NC 34a_100000754576_100000718602 [2,0,0,0,0,0|2,0,0]=4 8351 B11R0.40 CCCCCOCCC(=O)NC 7a_100000210253_100000737683 [2,0,0,0,0,0|2,0,0]=4 8352 B11R0.40 CCCCCOCCC(=O)OC 34a_100000210253_100000742370 [2,0,0,0,0,0|1,0,0]=3 8353 B11R0.40 CCCCCOCCC(=O)OC 7a_100000210253_100000204255 [2,0,0,0,0,0|1,0,0]=3 8354 B11R0.40 CCCCCSCCC(=O)NC 62a_100000210326_100000737683 [2,0,0,0,0,0|2,0,0]=4 8355 B11R0.40 CCCCCSCCC(=O)NC 62a_100000737683_100000210326 [2,0,0,0,0,0|2,0,0]=4 8356 B11R0.40 CCCCCSCCC(=O)OC 62a_100000204255_100000210326 [2,0,0,0,0,0|1,0,0]=3 8357 B11R0.40 CCCCCSCCC(=O)OC 62a_100000210326_100000204255 [2,0,0,0,0,0|1,0,0]=3 8358 B11R0.40 CCCCCSCOC(=O)OC 62a_100000210326_100000139417 [2,0,0,0,0,0|2,0,0]=4 8359 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000102301_100000741757 [2,0,0,0,0,0|2,0,0]=4 8360 B11R0.40 CCCCNCCCC(=O)NC 2230a_100000740002_100000210211 [2,0,0,0,0,0|2,0,0]=4 8361 B11R0.40 CCCCNCCCC(=O)NC 34a_100000740002_100000210210 [2,0,0,0,0,0|2,0,0]=4 8362 B11R0.40 CCCCNCCCC(=O)NC 7a_106832991798_100000741757 [2,0,0,0,0,0|2,0,0]=4 8363 B11R0.40 CCCCNCCCC(=O)OC 2230a_100000102301_100011218270 [2,0,0,0,0,0|1,0,0]=3 8364 B11R0.40 CCCCNCCCC(=O)OC 7a_106832991798_100011218270 [2,0,0,0,0,0|1,0,0]=3 8365 B11R0.40 CCCCNCCNC(=O)CC 34a_100132302217_100000210210 [2,0,0,0,0,0|2,0,0]=4 8366 B11R0.40 CCCCOCCCC(=O)NC 34a_100000210227_100000741757 [2,0,0,0,0,0|2,0,0]=4 8367 B11R0.40 CCCCOCCCC(=O)NC 7a_100000210227_100000741757 [2,0,0,0,0,0|2,0,0]=4 8368 B11R0.40 CCCCOCCCC(=O)OC 34a_100000210227_100000742333 [2,0,0,0,0,0|1,0,0]=3 8369 B11R0.40 CCCCOCCCC(=O)OC 7a_100000210227_100011218270 [2,0,0,0,0,0|1,0,0]=3 8370 B11R0.40 CCCCOCCNC(=O)CC 34a_200000158885_100000210210 [2,0,0,0,0,0|2,0,0]=4 8371 B11R0.40 CCCCOCCNC(=O)CC 7a_200000158885_100000210211 [2,0,0,0,0,0|2,0,0]=4 8372 B11R0.40 CCCCOCCNC(=O)OC 34a_100000757965_100000210210 [2,0,0,0,0,0|2,0,0]=4 8373 B11R0.40 CCCCOCCOC(=O)CC 7a_200000031056_100000210211 [2,0,0,0,0,0|2,0,0]=4 8374 B11R0.40 CCCCOCCOC(=O)OC 34a_100010262106_100000210210 [2,0,0,0,0,0|2,0,0]=4 8375 B11R0.40 CCCCOCOCC(=O)CC 34a_100000725409_100011995733 [2,0,0,0,0,0|2,0,0]=4 8376 B11R0.40 CCCCOCSCC(=O)CC 62a_100000747405_100011995733 [2,0,0,0,0,0|2,0,0]=4 8377 B11R0.40 CCCCOCSCC(=O)CC 62a_100011995733_100000747405 [2,0,0,0,0,0|2,0,0]=4 8378 B11R0.40 CCCCOCSCC(=O)OC 62a_100000747449_100011995733 [2,0,0,0,0,0|2,0,0]=4 8379 B11R0.40 CCCCOCSCC(=O)OC 62a_100011995733_100000747449 [2,0,0,0,0,0|2,0,0]=4 8380 B11R0.40 CCCCSCCCC(=O)NC 62a_100000210211_100000741757 [2,0,0,0,0,0|2,0,0]=4 8381 B11R0.40 CCCCSCCCC(=O)NC 62a_100000741757_100000210210 [2,0,0,0,0,0|2,0,0]=4 8382 B11R0.40 CCCCSCCCC(=O)OC 62a_100000210211_100011218270 [2,0,0,0,0,0|1,0,0]=3 8383 B11R0.40 CCCCSCCCC(=O)OC 62a_100011218270_100000210210 [2,0,0,0,0,0|1,0,0]=3 8384 B11R0.40 CCCCSCCNC(=O)CC 11a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 8385 B11R0.40 CCCCSCCNC(=O)CC 1626a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 8386 B11R0.40 CCCCSCCNC(=O)CC 240690a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 8387 B11R0.40 CCCCSCCNC(=O)CC 527a_100025743550_100000210414 [2,0,0,0,0,0|2,0,0]=4 8388 B11R0.40 CCCOCCCCC(=O)OC 34a_100000059025_100000210303 [2,0,0,0,0,0|1,0,0]=3 8389 B11R0.40 CCCOCCCCC(=O)OC 34a_100000210258_100000204269 [2,0,0,0,0,0|1,0,0]=3 8390 B11R0.40 CCCOCCCCC(=O)OC 7a_100000059025_100000210303 [2,0,0,0,0,0|1,0,0]=3 8391 B11R0.40 CCCOCCCNC(=O)CC 1626a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 8392 B11R0.40 CCCOCCCNC(=O)CC 240690a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 8393 B11R0.40 CCCOCCCNC(=O)CC 527a_100011217757_100000210414 [2,0,0,0,0,0|2,0,0]=4 8394 B11R0.40 CCCOCCNCC(=O)OC 2230a_100161115042_100000747449 [2,0,0,0,0,0|2,0,0]=4 8395 B11R0.40 CCCOCCNCC(=O)OC 34a_100161115042_100000747449 [2,0,0,0,0,0|2,0,0]=4 8396 B11R0.40 CCCOCCOCC(=O)CC 34a_100000725409_100011215938 [2,0,0,0,0,0|2,0,0]=4 8397 B11R0.40 CCCOCCOCC(=O)CC 7a_100000752267_100000747405 [2,0,0,0,0,0|2,0,0]=4 8398 B11R0.40 CCCOCCOCC(=O)OC 34a_100000210258_100000090808 [2,0,0,0,0,0|2,0,0]=4 8399 B11R0.40 CCCOCCOCC(=O)OC 34a_100000752267_100000747449 [2,0,0,0,0,0|2,0,0]=4 8400 B11R0.40 CCCOCCOCC(=O)OC 7a_100000752267_100000747449 [2,0,0,0,0,0|2,0,0]=4 8401 B11R0.40 CCCOCCSCC(=O)CC 62a_100000747405_100011215938 [2,0,0,0,0,0|2,0,0]=4 8402 B11R0.40 CCCOCCSCC(=O)CC 62a_100011215938_100000747405 [2,0,0,0,0,0|2,0,0]=4 8403 B11R0.40 CCCOCCSCC(=O)OC 62a_100000747449_100011215938 [2,0,0,0,0,0|2,0,0]=4 8404 B11R0.40 CCCOCCSCC(=O)OC 62a_100011215938_100000747449 [2,0,0,0,0,0|2,0,0]=4 8405 B11R0.40 CCCSCCCCC(=O)OC 62a_100000204269_100000210303 [2,0,0,0,0,0|1,0,0]=3 8406 B11R0.40 CCCSCCCCC(=O)OC 62a_100000210303_100000204269 [2,0,0,0,0,0|1,0,0]=3 8407 B11R0.40 CCCSCCNCC(=O)OC 2230a_100020603323_100000747449 [2,0,0,0,0,0|2,0,0]=4 8408 B11R0.40 CCCSCCOCC(=O)CC 7a_200000230433_100000747405 [2,0,0,0,0,0|2,0,0]=4 8409 B11R0.40 CCCSCCOCC(=O)OC 34a_200000230433_100000747449 [2,0,0,0,0,0|2,0,0]=4 8410 B11R0.40 CCCSCCOCC(=O)OC 62a_100000090808_100000210303 [2,0,0,0,0,0|2,0,0]=4 8411 B11R0.40 CCCSCCOCC(=O)OC 62a_100000210303_100000090808 [2,0,0,0,0,0|2,0,0]=4 8412 B11R0.40 CCCSCCOCC(=O)OC 7a_200000230433_100000747449 [2,0,0,0,0,0|2,0,0]=4 8413 B11R0.40 CCNCCCCCC(=O)OC 2230a_100015525214_100009816466 [2,0,0,0,0,0|1,0,0]=3 8414 B11R0.40 CCOCCCCCC(=O)OC 34a_100000074720_100000210202 [2,0,0,0,0,0|1,0,0]=3 8415 B11R0.40 CCOCCCCCC(=O)OC 34a_100121572206_100009816466 [2,0,0,0,0,0|1,0,0]=3 8416 B11R0.40 CCOCCCCCC(=O)OC 7a_100000074720_100000210202 [2,0,0,0,0,0|1,0,0]=3 8417 B11R0.40 CCOCCCNCC(=O)OC 2230a_100000210961_100000747449 [2,0,0,0,0,0|2,0,0]=4 8418 B11R0.40 CCOCCCNCC(=O)OC 34a_100000210961_100000747449 [2,0,0,0,0,0|2,0,0]=4 8419 B11R0.40 CCOCCCOCC(=O)CC 34a_100000725409_100012232248 [2,0,0,0,0,0|2,0,0]=4 8420 B11R0.40 CCOCCCOCC(=O)CC 7a_100000757476_100000747405 [2,0,0,0,0,0|2,0,0]=4 8421 B11R0.40 CCOCCCOCC(=O)OC 34a_100000757476_100000747449 [2,0,0,0,0,0|2,0,0]=4 8422 B11R0.40 CCOCCCOCC(=O)OC 7a_100000757476_100000747449 [2,0,0,0,0,0|2,0,0]=4 8423 B11R0.40 CCOCCCSCC(=O)CC 62a_100000747405_100012232248 [2,0,0,0,0,0|2,0,0]=4 8424 B11R0.40 CCOCCCSCC(=O)CC 62a_100012232248_100000747405 [2,0,0,0,0,0|2,0,0]=4 8425 B11R0.40 CCOCCCSCC(=O)OC 62a_100000747449_100012232248 [2,0,0,0,0,0|2,0,0]=4 8426 B11R0.40 CCOCCCSCC(=O)OC 62a_100012232248_100000747449 [2,0,0,0,0,0|2,0,0]=4 8427 B11R0.40 CCOCCNCCC(=O)OC 2230a_102516460346_100000204255 [2,0,0,0,0,0|2,0,0]=4 8428 B11R0.40 CCOCCNCCC(=O)OC 34a_102516460346_100000742370 [2,0,0,0,0,0|2,0,0]=4 8429 B11R0.40 CCOCCOCCC(=O)CC 1458a_100000210414_100011211534 [2,0,0,0,0,0|2,0,0]=4 8430 B11R0.40 CCOCCOCCC(=O)OC 34a_100000210136_100000742370 [2,0,0,0,0,0|2,0,0]=4 8431 B11R0.40 CCOCCOCCC(=O)OC 7a_100000210136_100000204255 [2,0,0,0,0,0|2,0,0]=4 8432 B11R0.40 CCOCCSCCC(=O)OC 62a_100000204255_100011215890 [2,0,0,0,0,0|2,0,0]=4 8433 B11R0.40 CCOCCSCCC(=O)OC 62a_100000210147_100000204255 [2,0,0,0,0,0|2,0,0]=4 8434 B11R0.40 CCOCSCCCC(=O)OC 62a_100000739092_100011218270 [2,0,0,0,0,0|2,0,0]=4 8435 B11R0.40 CCOCSCCCC(=O)OC 62a_100011218270_100000739092 [2,0,0,0,0,0|2,0,0]=4 8436 B11R0.40 CCSCCCCCC(=O)OC 62a_100000210202_100009816466 [2,0,0,0,0,0|1,0,0]=3 8437 B11R0.40 CCSCCCCCC(=O)OC 62a_100009816466_100000210202 [2,0,0,0,0,0|1,0,0]=3 8438 B11R0.40 CCSCCCOCC(=O)CC 7a_100011216438_100000747405 [2,0,0,0,0,0|2,0,0]=4 8439 B11R0.40 CCSCCCOCC(=O)OC 34a_100011216438_100000747449 [2,0,0,0,0,0|2,0,0]=4 8440 B11R0.40 CCSCCCOCC(=O)OC 7a_100011216438_100000747449 [2,0,0,0,0,0|2,0,0]=4 8441 B11R0.40 CCSCCNCCC(=O)OC 2230a_100000106463_100000204255 [2,0,0,0,0,0|2,0,0]=4 8442 B11R0.40 CCSCCOCCC(=O)OC 34a_100000212035_100000742370 [2,0,0,0,0,0|2,0,0]=4 8443 B11R0.40 CCSCCOCCC(=O)OC 7a_100000212035_100000204255 [2,0,0,0,0,0|2,0,0]=4 8444 B11R0.40 CCSCCSCCC(=O)OC 62a_100000204255_100000757381 [2,0,0,0,0,0|2,0,0]=4 8445 B11R0.40 CCSCCSCCC(=O)OC 62a_100000757381_100000204255 [2,0,0,0,0,0|2,0,0]=4 8446 B11R0.40 CNC(=O)CCCCCCCO 240690a_100102657272_100011219782 [2,0,0,0,0,0|2,0,0]=4 8447 B11R0.40 CNCCCCCCC(=O)OC 2230a_106832991635_100009815986 [2,0,0,0,0,0|1,0,0]=3 8448 B11R0.40 CNCCCCCCC(=O)OC 34a_100102657272_100009815986 [2,0,0,0,0,0|1,0,0]=3 8449 B11R0.40 CNCCCCCCC(=O)OC 7a_106832991635_100009815986 [2,0,0,0,0,0|1,0,0]=3 8450 B11R0.40 CNCCCOCCC(=O)OC 34a_100000213112_100000742370 [2,0,0,0,0,0|2,0,0]=4 8451 B11R0.40 COC(=O)CCCCCCO[13CH3] 34a_100009863599_200025704644 [2,0,0,0,0,0|1,0,0]=3 8452 B11R0.40 COC(=O)CCCCCCO[13CH3] 7a_100009863599_200025704644 [2,0,0,0,0,0|1,0,0]=3 8453 B11R0.40 COC(=O)CCCCCCSC 62a_100009815986_200000210301 [2,0,0,0,0,0|1,0,0]=3 8454 B11R0.40 COC(=O)CCCCCCSC 62a_200000210301_100009815986 [2,0,0,0,0,0|1,0,0]=3 8455 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_100009815986_200025704644 [2,0,0,0,0,0|1,0,0]=3 8456 B11R0.40 COC(=O)CCCCCCS[13CH3] 62a_200025704644_100009815986 [2,0,0,0,0,0|1,0,0]=3 8457 B11R0.40 COC(=O)CCCCCOCF 34a_100000074720_100015361967 [2,0,0,0,0,0|2,0,0]=4 8458 B11R0.40 COC(=O)CCCCCOCF 7a_100000074720_100015361967 [2,0,0,0,0,0|2,0,0]=4 8459 B11R0.40 COC(=O)CCCCCSCF 62a_100009816466_100015361967 [2,0,0,0,0,0|2,0,0]=4 8460 B11R0.40 COC(=O)CCCCCSCF 62a_100015361967_100009816466 [2,0,0,0,0,0|2,0,0]=4 8461 B11R0.40 COC(=O)CCCCNCCF 34a_100000724931_100000204269 [2,0,0,0,0,0|2,0,0]=4 8462 B11R0.40 COC(=O)CCCCNCCO 2230a_100016997473_100000204269 [2,0,0,0,0,0|2,0,0]=4 8463 B11R0.40 COC(=O)CCCCNCCO 34a_100016990907_100000204269 [2,0,0,0,0,0|2,0,0]=4 8464 B11R0.40 COC(=O)CCCCOCCBr 34a_100000211926_100000204269 [2,0,0,0,0,0|2,0,0]=4 8465 B11R0.40 COC(=O)CCCCOCCF 34a_100000059025_100011217306 [2,0,0,0,0,0|2,0,0]=4 8466 B11R0.40 COC(=O)CCCCOCCF 7a_100000059025_100011217306 [2,0,0,0,0,0|2,0,0]=4 8467 B11R0.40 COC(=O)CCCCOCCN 34a_100000210304_100000204269 [2,0,0,0,0,0|2,0,0]=4 8468 B11R0.40 COC(=O)CCCCOCCO 34a_100000059025_100000211926 [2,0,0,0,0,0|2,0,0]=4 8469 B11R0.40 COC(=O)CCCCOCCO 7a_100000059025_100000211926 [2,0,0,0,0,0|2,0,0]=4 8470 B11R0.40 COC(=O)CCCCOCSC 34a_100000059025_100011218213 [2,0,0,0,0,0|2,0,0]=4 8471 B11R0.40 COC(=O)CCCCSCCF 62a_100000204269_100011217306 [2,0,0,0,0,0|2,0,0]=4 8472 B11R0.40 COC(=O)CCCCSCCF 62a_100011217306_100000204269 [2,0,0,0,0,0|2,0,0]=4 8473 B11R0.40 COC(=O)CCCCSCCO 62a_100000204269_100000211926 [2,0,0,0,0,0|2,0,0]=4 8474 B11R0.40 COC(=O)CCCCSCCO 62a_100000211926_100000204269 [2,0,0,0,0,0|2,0,0]=4 8475 B11R0.40 COC(=O)CCCCSCSC 62a_100000204269_100011218213 [2,0,0,0,0,0|2,0,0]=4 8476 B11R0.40 COC(=O)CCCCSCSC 62a_100011218213_100000204269 [2,0,0,0,0,0|2,0,0]=4 8477 B11R0.40 COC(=O)CCCNCCCF 2230a_100015189416_100011218270 [2,0,0,0,0,0|2,0,0]=4 8478 B11R0.40 COC(=O)CCCNCCCF 34a_100015189416_100000742333 [2,0,0,0,0,0|2,0,0]=4 8479 B11R0.40 COC(=O)CCCNCCSC 2230a_100020590264_100011218270 [2,0,0,0,0,0|2,0,0]=4 8480 B11R0.40 COC(=O)CCCOCCCBr 34a_100011217188_100000742333 [2,0,0,0,0,0|2,0,0]=4 8481 B11R0.40 COC(=O)CCCOCCCCl 34a_100000230001_100000742333 [2,0,0,0,0,0|2,0,0]=4 8482 B11R0.40 COC(=O)CCCOCCCF 34a_100000759539_100000742333 [2,0,0,0,0,0|2,0,0]=4 8483 B11R0.40 COC(=O)CCCOCCCN 34a_100000182051_100000742333 [2,0,0,0,0,0|2,0,0]=4 8484 B11R0.40 COC(=O)CCCOCCSC 34a_100000230434_100000742333 [2,0,0,0,0,0|2,0,0]=4 8485 B11R0.40 COC(=O)CCCOCCSC 7a_100000230434_100011218270 [2,0,0,0,0,0|2,0,0]=4 8486 B11R0.40 COC(=O)CCCSCCCF 62a_100011218270_100011934791 [2,0,0,0,0,0|2,0,0]=4 8487 B11R0.40 COC(=O)CCCSCCCF 62a_100011934791_100011218270 [2,0,0,0,0,0|2,0,0]=4 8488 B11R0.40 COC(=O)CCCSCCCO 62a_100011215043_100011218270 [2,0,0,0,0,0|2,0,0]=4 8489 B11R0.40 COC(=O)CCCSCCCO 62a_100011218270_100011215043 [2,0,0,0,0,0|2,0,0]=4 8490 B11R0.40 COC(=O)CCCSCCSC 62a_100000212216_100011218270 [2,0,0,0,0,0|2,0,0]=4 8491 B11R0.40 COC(=O)CCCSCCSC 62a_100011218270_100000751147 [2,0,0,0,0,0|2,0,0]=4 8492 B11R0.40 COC(=O)CCNCCCCO 2230a_100000750430_100000204255 [2,0,0,0,0,0|2,0,0]=4 8493 B11R0.40 COC(=O)CCNCCCCO 34a_100000750430_100000742370 [2,0,0,0,0,0|2,0,0]=4 8494 B11R0.40 COC(=O)CCNCCCSC 2230a_100000749238_100000204255 [2,0,0,0,0,0|2,0,0]=4 8495 B11R0.40 COC(=O)CCOCCCCBr 34a_100011216708_100000742370 [2,0,0,0,0,0|2,0,0]=4 8496 B11R0.40 COC(=O)CCOCCCCCl 34a_100000210776_100000742370 [2,0,0,0,0,0|2,0,0]=4 8497 B11R0.40 COC(=O)CCOCCCCCl 7a_100000210776_100000204255 [2,0,0,0,0,0|2,0,0]=4 8498 B11R0.40 COC(=O)CCOCCCCF 34a_100011995726_100000742370 [2,0,0,0,0,0|2,0,0]=4 8499 B11R0.40 COC(=O)CCOCCCCF 7a_100011995726_100000204255 [2,0,0,0,0,0|2,0,0]=4 8500 B11R0.40 COC(=O)CCOCCCCI 34a_200012148704_100000742370 [2,0,0,0,0,0|2,0,0]=4 8501 B11R0.40 COC(=O)CCOCCCCN 34a_100000750430_100000742370 [2,0,0,0,0,0|2,0,0]=4 8502 B11R0.40 COC(=O)CCOCCCSC 34a_100000690336_100000742370 [2,0,0,0,0,0|2,0,0]=4 8503 B11R0.40 COC(=O)CCOCCCSC 7a_100000690336_100000204255 [2,0,0,0,0,0|2,0,0]=4 8504 B11R0.40 COC(=O)CCSCCCCF 62a_100000204255_100000729493 [2,0,0,0,0,0|2,0,0]=4 8505 B11R0.40 COC(=O)CCSCCCCF 62a_100000729493_100000204255 [2,0,0,0,0,0|2,0,0]=4 8506 B11R0.40 COC(=O)CCSCCCCO 62a_100000204255_100000210776 [2,0,0,0,0,0|2,0,0]=4 8507 B11R0.40 COC(=O)CCSCCCCO 62a_100000210776_100000204255 [2,0,0,0,0,0|2,0,0]=4 8508 B11R0.40 COC(=O)CNCCCCCO 2230a_100000762737_100000747449 [2,0,0,0,0,0|2,0,0]=4 8509 B11R0.40 COC(=O)CNCCCCCO 34a_100000762737_100000747449 [2,0,0,0,0,0|2,0,0]=4 8510 B11R0.40 COC(=O)COCCCCCBr 34a_100000746331_100000747449 [2,0,0,0,0,0|2,0,0]=4 8511 B11R0.40 COC(=O)COCCCCCBr 7a_100000746331_100000747449 [2,0,0,0,0,0|2,0,0]=4 8512 B11R0.40 COC(=O)COCCCCCCl 34a_100000746330_100000747449 [2,0,0,0,0,0|2,0,0]=4 8513 B11R0.40 COC(=O)COCCCCCCl 7a_100000746330_100000747449 [2,0,0,0,0,0|2,0,0]=4 8514 B11R0.40 COC(=O)COCCCCCI 34a_200012148887_100000747449 [2,0,0,0,0,0|2,0,0]=4 8515 B11R0.40 COC(=O)COCCCCCI 7a_200012148887_100000747449 [2,0,0,0,0,0|2,0,0]=4 8516 B11R0.40 COC(=O)COCCCCCN 34a_100000762737_100000747449 [2,0,0,0,0,0|2,0,0]=4 8517 B11R0.40 COC(=O)COCCCCSC 34a_100011217163_100000747449 [2,0,0,0,0,0|2,0,0]=4 8518 B11R0.40 COC(=O)COCCCCSC 7a_100011217163_100000747449 [2,0,0,0,0,0|2,0,0]=4 8519 B11R0.40 COC(=O)CSCCCCCF 62a_100000729378_100000747449 [2,0,0,0,0,0|2,0,0]=4 8520 B11R0.40 COC(=O)CSCCCCCF 62a_100000747449_100000729378 [2,0,0,0,0,0|2,0,0]=4 8521 B11R0.40 COC(=O)CSCCCCCO 62a_100000746330_100000747449 [2,0,0,0,0,0|2,0,0]=4 8522 B11R0.40 COC(=O)CSCCCCCO 62a_100000747449_100000746330 [2,0,0,0,0,0|2,0,0]=4 8523 B11R0.40 COCCCCCCC(=O)CO 1458a_100000210174_100011998445 [2,0,0,0,0,0|2,0,0]=4 8524 B11R0.40 COCCCCCCC(=O)OC 34a_100009863599_200000210301 [2,0,0,0,0,0|1,0,0]=3 8525 B11R0.40 COCCCCCCC(=O)OC 34a_100138415774_100009815986 [2,0,0,0,0,0|1,0,0]=3 8526 B11R0.40 COCCCCCCC(=O)OC 7a_100009863599_200000210301 [2,0,0,0,0,0|1,0,0]=3 8527 B11R0.40 COCCCCOCC(=O)OC 34a_100000740925_100000747449 [2,0,0,0,0,0|2,0,0]=4 8528 B11R0.40 COCCCCSCC(=O)OC 62a_100000730899_100000747449 [2,0,0,0,0,0|2,0,0]=4 8529 B11R0.40 COCCCCSCC(=O)OC 62a_100000747449_100000730899 [2,0,0,0,0,0|2,0,0]=4 8530 B11R0.40 COCCCNCCC(=O)OC 34a_100150723488_100000742370 [2,0,0,0,0,0|2,0,0]=4 8531 B11R0.40 COCCCOCCC(=O)OC 34a_100000740835_100000742370 [2,0,0,0,0,0|2,0,0]=4 8532 B11R0.40 COCCCSCCC(=O)OC 62a_100000204255_100000709357 [2,0,0,0,0,0|2,0,0]=4 8533 B11R0.40 COCCCSCCC(=O)OC 62a_100000709357_100000204255 [2,0,0,0,0,0|2,0,0]=4 8534 B11R0.40 COCCNCCCC(=O)OC 2230a_100000209980_100011218270 [2,0,0,0,0,0|2,0,0]=4 8535 B11R0.40 COCCOCCCC(=O)OC 34a_100000210237_100000742333 [2,0,0,0,0,0|2,0,0]=4 8536 B11R0.40 COCCSCCCC(=O)OC 62a_100000233755_100011218270 [2,0,0,0,0,0|2,0,0]=4 8537 B11R0.40 COCCSCCCC(=O)OC 62a_100011218270_100000233755 [2,0,0,0,0,0|2,0,0]=4 8538 B11R0.40 COCSCCCCC(=O)OC 62a_100000204269_100000766300 [2,0,0,0,0,0|2,0,0]=4 8539 B11R0.40 COCSCCCCC(=O)OC 62a_100000766300_100000204269 [2,0,0,0,0,0|2,0,0]=4 8540 B11R0.40 O=C(CF)CCCCCCCO 1458a_100011219782_100015361967 [2,0,0,0,0,0|2,0,0]=4 8541 B11R0.40 O=C(CO)CCCCCCCO 1458a_100000210174_100000760002 [2,0,0,0,0,0|2,0,0]=4 8542 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000070787_100153394163 [2,0,0,0,0,0|0,0,2]=4 8543 B11R0.148 C#CCCCCCCCC(=O)C 1458a_100000087357_200000210301 [2,0,0,0,0,0|0,0,2]=4 8544 B11R0.148 C#CCCCCCCCC(=O)[13CH3] 1458a_100000087357_200025704644 [2,0,0,0,0,0|0,0,2]=4 8545 B11R0.148 C=C(C)CCNCCCCCC 2230a_100000210581_100000730704 [2,0,0,0,0,0|2,0,0]=4 8546 B11R0.148 C=C(C)CCOCCCCCC 34a_100000210259_100000730704 [2,0,0,0,0,0|2,0,0]=4 8547 B11R0.148 C=C(C)CCOCCCCCC 34a_100000764851_100000210314 [2,0,0,0,0,0|2,0,0]=4 8548 B11R0.148 C=C(C)CCOCCCCCC 7a_100000210259_100000730704 [2,0,0,0,0,0|2,0,0]=4 8549 B11R0.148 C=C(C)CCSCCCCCC 62a_100000210314_100000730704 [2,0,0,0,0,0|2,0,0]=4 8550 B11R0.148 C=C(C)CCSCCCCCC 62a_100000730704_100000210757 [2,0,0,0,0,0|2,0,0]=4 8551 B11R0.148 C=C(C)CNCCCCCCC 2230a_100000229938_100000748629 [2,0,0,0,0,0|2,0,0]=4 8552 B11R0.148 C=C(C)COCCCCCCC 34a_100000210245_100000210614 [2,0,0,0,0,0|2,0,0]=4 8553 B11R0.148 C=C(C)COCCCCCCC 34a_100000210272_100000748629 [2,0,0,0,0,0|2,0,0]=4 8554 B11R0.148 C=C(C)COCCCCCCC 7a_100000210272_100000748629 [2,0,0,0,0,0|2,0,0]=4 8555 B11R0.148 C=C(C)CSCCCCCCC 62a_100000210614_100000211660 [2,0,0,0,0,0|2,0,0]=4 8556 B11R0.148 C=C(C)CSCCCCCCC 62a_100000748629_100000210316 [2,0,0,0,0,0|2,0,0]=4 8557 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100000070787_100012355270 [2,0,0,0,0,0|0,0,2]=4 8558 B11R0.148 C=CCCCCCCCC(=O)C 1458a_100011216160_200000210301 [2,0,0,0,0,0|0,0,2]=4 8559 B11R0.148 C=CCCCCCCCC(=O)[13CH3] 1458a_100011216160_200025704644 [2,0,0,0,0,0|0,0,2]=4 8560 B11R0.148 CC(=O)CCCCCCCCO 1458a_100000070787_100000033203 [2,0,0,0,0,0|1,0,0]=3 8561 B11R0.148 CC(=O)CCCCNCCCF 34a_100015189416_100009817362 [2,0,0,0,0,0|2,0,0]=4 8562 B11R0.148 CC(=O)CCCCOCCCBr 34a_100011217188_100009817362 [2,0,0,0,0,0|2,0,0]=4 8563 B11R0.148 CC(=O)CCCCOCCCCl 34a_100000230001_100009817362 [2,0,0,0,0,0|2,0,0]=4 8564 B11R0.148 CC(=O)CCCCOCCCF 34a_100000759539_100009817362 [2,0,0,0,0,0|2,0,0]=4 8565 B11R0.148 CC(=O)CCCCOCCCN 34a_100000182051_100009817362 [2,0,0,0,0,0|2,0,0]=4 8566 B11R0.148 CC(=O)CCCCSCCCF 62a_100000735457_100011934791 [2,0,0,0,0,0|2,0,0]=4 8567 B11R0.148 CC(=O)CCCCSCCCF 62a_100011934791_100000735457 [2,0,0,0,0,0|2,0,0]=4 8568 B11R0.148 CC(=O)CCCCSCCCO 62a_100000735457_100011215043 [2,0,0,0,0,0|2,0,0]=4 8569 B11R0.148 CC(=O)CCCCSCCCO 62a_100011215043_100000735457 [2,0,0,0,0,0|2,0,0]=4 8570 B11R0.148 CC(=O)CCCNCCCCO 34a_100000750430_100000685027 [2,0,0,0,0,0|2,0,0]=4 8571 B11R0.148 CC(=O)CCCOCCCCBr 34a_100011216708_100000685027 [2,0,0,0,0,0|2,0,0]=4 8572 B11R0.148 CC(=O)CCCOCCCCCl 34a_100000210776_100000685027 [2,0,0,0,0,0|2,0,0]=4 8573 B11R0.148 CC(=O)CCCOCCCCCl 7a_100000210776_100011215641 [2,0,0,0,0,0|2,0,0]=4 8574 B11R0.148 CC(=O)CCCOCCCCF 34a_100000759063_100000729493 [2,0,0,0,0,0|2,0,0]=4 8575 B11R0.148 CC(=O)CCCOCCCCF 34a_100011995726_100000685027 [2,0,0,0,0,0|2,0,0]=4 8576 B11R0.148 CC(=O)CCCOCCCCF 7a_100000759063_100000729493 [2,0,0,0,0,0|2,0,0]=4 8577 B11R0.148 CC(=O)CCCOCCCCF 7a_100011995726_100011215641 [2,0,0,0,0,0|2,0,0]=4 8578 B11R0.148 CC(=O)CCCOCCCCI 34a_200012148704_100000685027 [2,0,0,0,0,0|2,0,0]=4 8579 B11R0.148 CC(=O)CCCOCCCCN 34a_100000750430_100000685027 [2,0,0,0,0,0|2,0,0]=4 8580 B11R0.148 CC(=O)CCCOCCCCO 34a_100000759063_100011216708 [2,0,0,0,0,0|2,0,0]=4 8581 B11R0.148 CC(=O)CCCOCCCCO 7a_100000759063_100000210776 [2,0,0,0,0,0|2,0,0]=4 8582 B11R0.148 CC(=O)CCCSCCCCF 62a_100000729493_100011215641 [2,0,0,0,0,0|2,0,0]=4 8583 B11R0.148 CC(=O)CCCSCCCCF 62a_100011215641_100000729493 [2,0,0,0,0,0|2,0,0]=4 8584 B11R0.148 CC(=O)CCCSCCCCO 62a_100000210776_100011215641 [2,0,0,0,0,0|2,0,0]=4 8585 B11R0.148 CC(=O)CCCSCCCCO 62a_100011215641_100000210776 [2,0,0,0,0,0|2,0,0]=4 8586 B11R0.148 CC(=O)CCOCCCCCBr 7a_100000746331_100000053229 [2,0,0,0,0,0|2,0,0]=4 8587 B11R0.148 CC(=O)CCOCCCCCCl 7a_100000746330_100000053229 [2,0,0,0,0,0|2,0,0]=4 8588 B11R0.148 CC(=O)CCOCCCCCF 34a_100000759926_100000729378 [2,0,0,0,0,0|2,0,0]=4 8589 B11R0.148 CC(=O)CCOCCCCCF 7a_100000759926_100000729378 [2,0,0,0,0,0|2,0,0]=4 8590 B11R0.148 CC(=O)CCOCCCCCI 7a_200012148887_100000053229 [2,0,0,0,0,0|2,0,0]=4 8591 B11R0.148 CC(=O)CCOCCCCCO 34a_100000759926_100000746330 [2,0,0,0,0,0|2,0,0]=4 8592 B11R0.148 CC(=O)CCOCCCCCO 7a_100000759926_100000746330 [2,0,0,0,0,0|2,0,0]=4 8593 B11R0.148 CC(=O)CCSCCCCCF 62a_100000053229_100000729378 [2,0,0,0,0,0|2,0,0]=4 8594 B11R0.148 CC(=O)CCSCCCCCF 62a_100000729378_100000053229 [2,0,0,0,0,0|2,0,0]=4 8595 B11R0.148 CC(=O)CCSCCCCCO 62a_100000053229_100000746330 [2,0,0,0,0,0|2,0,0]=4 8596 B11R0.148 CC(=O)CCSCCCCCO 62a_100000746330_100000053229 [2,0,0,0,0,0|2,0,0]=4 8597 B11R0.148 CC(=O)COCCCCCCF 34a_100000211253_100015922095 [2,0,0,0,0,0|2,0,0]=4 8598 B11R0.148 CC(=O)COCCCCCCO 34a_100000211253_100000766143 [2,0,0,0,0,0|2,0,0]=4 8599 B11R0.148 CC(=O)NCCCCCCCO 240690a_100011996573_100015343762 [2,0,0,0,0,0|2,0,0]=4 8600 B11R0.148 CC(=O)NCCCCCCN[13CH3] 2230a_200011996284_200025704644 [2,0,0,0,0,0|2,0,0]=4 8601 B11R0.148 CC(=O)NCCCCCCN[13CH3] 34a_200011996284_200025704644 [2,0,0,0,0,0|2,0,0]=4 8602 B11R0.148 CCCCC#CCCCC(=O)C 1458a_100000070787_200000047210 [2,0,0,0,0,0|0,0,2]=4 8603 B11R0.148 CCCCC/C=C/CCC(=O)C 1458a_200015255902_200000210301 [2,0,0,0,0,0|0,0,2]=4 8604 B11R0.148 CCCCC/C=C/CCC(=O)[13CH3] 1458a_200015255902_200025704644 [2,0,0,0,0,0|0,0,2]=4 8605 B11R0.148 CCCCCC/C=C/CC(=O)C 1458a_100020681715_200000210301 [2,0,0,0,0,0|0,0,2]=4 8606 B11R0.148 CCCCCC/C=C/CC(=O)[13CH3] 1458a_100020681715_200025704644 [2,0,0,0,0,0|0,0,2]=4 8607 B11R0.148 CCCCCCCC=CC(=O)C 1458a_200015332781_200000210301 [2,0,0,0,0,0|0,0,2]=4 8608 B11R0.148 CCCCCCCC=CC(=O)[13CH3] 1458a_200015332781_200025704644 [2,0,0,0,0,0|0,0,2]=4 8609 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000070787_100000210670 [2,0,0,0,0,0|0,0,0]=2 8610 B11R0.148 CCCCCCCCCC(=O)C 1458a_100000210558_200000210301 [2,0,0,0,0,0|0,0,0]=2 8611 B11R0.148 CCCCCCCCCC(=O)[13CH3] 1458a_100000210558_200025704644 [2,0,0,0,0,0|0,0,0]=2 8612 B11R0.148 CCCCCCCCCN(C)C 2230a_100000232482_200000210301 [2,0,0,0,0,0|2,0,0]=4 8613 B11R0.148 CCCCCCCCCN(C)C 2230a_100102631434_100011214924 [2,0,0,0,0,0|2,0,0]=4 8614 B11R0.148 CCCCCCCCCN(C)C 269982a_100000232482_200000210301 [2,0,0,0,0,0|2,0,0]=4 8615 B11R0.148 CCCCCCCCCN(C)C 269982a_100102631434_100000210670 [2,0,0,0,0,0|2,0,0]=4 8616 B11R0.148 CCCCCCCCCN(C)[13CH3] 2230a_100000232482_200025704644 [2,0,0,0,0,0|2,0,0]=4 8617 B11R0.148 CCCCCCCCCN(C)[13CH3] 269982a_100000232482_200025704644 [2,0,0,0,0,0|2,0,0]=4 8618 B11R0.148 CCCCCCCCNC(=O)C 11a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 8619 B11R0.148 CCCCCCCCNC(=O)C 1626a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 8620 B11R0.148 CCCCCCCCNC(=O)C 240690a_100000229939_100015343762 [2,0,0,0,0,0|1,0,0]=3 8621 B11R0.148 CCCCCCCCNC(=O)C 527a_100000229939_100103153847 [2,0,0,0,0,0|1,0,0]=3 8622 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000229938_100000747473 [2,0,0,0,0,0|2,0,0]=4 8623 B11R0.148 CCCCCCCNCC(=O)N 2230a_100000711301_100000210681 [2,0,0,0,0,0|2,0,0]=4 8624 B11R0.148 CCCCCCCNCC(=O)O 269956a_100016091260_100000210614 [2,0,0,0,0,0|1,0,0]=3 8625 B11R0.148 CCCCCCCOCC(=O)C 34a_100000211253_100000210614 [2,0,0,0,0,0|1,0,0]=3 8626 B11R0.148 CCCCCCCOCC(=O)N 34a_100000210272_100000187820 [2,0,0,0,0,0|2,0,0]=4 8627 B11R0.148 CCCCCCCOCC(=O)N 7a_100000210272_100000187820 [2,0,0,0,0,0|2,0,0]=4 8628 B11R0.148 CCCCCCCOCC(=O)[O-] 34a_100000210272_100020667443 [2,0,0,0,0,0|1,0,1]=4 8629 B11R0.148 CCCCCCCSCC(=O)N 62a_100000210614_100000747473 [2,0,0,0,0,0|2,0,0]=4 8630 B11R0.148 CCCCCCCSCC(=O)N 62a_100000747473_100000210316 [2,0,0,0,0,0|2,0,0]=4 8631 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100000210614_100020667443 [2,0,0,0,0,0|1,0,1]=4 8632 B11R0.148 CCCCCCCSCC(=O)[O-] 62a_100020667443_100000210316 [2,0,0,0,0,0|1,0,1]=4 8633 B11R0.148 CCCCCCNCCC(=O)N 2230a_100000210581_100000744528 [2,0,0,0,0,0|2,0,0]=4 8634 B11R0.148 CCCCCCNOCC(=O)O 269956a_100000106656_100000210757 [2,0,0,0,0,0|2,0,0]=4 8635 B11R0.148 CCCCCCOCCC(=O)C 34a_100000759926_100000210314 [2,0,0,0,0,0|1,0,0]=3 8636 B11R0.148 CCCCCCOCCC(=O)C 7a_100000210259_100000053229 [2,0,0,0,0,0|1,0,0]=3 8637 B11R0.148 CCCCCCOCCC(=O)C 7a_100000759926_100000210314 [2,0,0,0,0,0|1,0,0]=3 8638 B11R0.148 CCCCCCOCCC(=O)N 34a_100000210259_100000731001 [2,0,0,0,0,0|2,0,0]=4 8639 B11R0.148 CCCCCCOCCC(=O)N 34a_100000757172_100000210314 [2,0,0,0,0,0|2,0,0]=4 8640 B11R0.148 CCCCCCOCCC(=O)N 7a_100000210259_100000744528 [2,0,0,0,0,0|2,0,0]=4 8641 B11R0.148 CCCCCCOCCC(=O)N 7a_100000757172_100000210314 [2,0,0,0,0,0|2,0,0]=4 8642 B11R0.148 CCCCCCOCOC(=O)C 34a_100000210259_100009813279 [2,0,0,0,0,0|2,0,0]=4 8643 B11R0.148 CCCCCCSCCC(=O)C 62a_100000053229_100000210757 [2,0,0,0,0,0|1,0,0]=3 8644 B11R0.148 CCCCCCSCCC(=O)C 62a_100000210314_100000053229 [2,0,0,0,0,0|1,0,0]=3 8645 B11R0.148 CCCCCCSCCC(=O)N 62a_100000210314_100000744528 [2,0,0,0,0,0|2,0,0]=4 8646 B11R0.148 CCCCCCSCCC(=O)N 62a_100000744528_100000210757 [2,0,0,0,0,0|2,0,0]=4 8647 B11R0.148 CCCCCCSCOC(=O)C 62a_100000076356_100000210757 [2,0,0,0,0,0|2,0,0]=4 8648 B11R0.148 CCCCCCSCOC(=O)C 62a_100000210314_100000076356 [2,0,0,0,0,0|2,0,0]=4 8649 B11R0.148 CCCCCNCCCC(=O)N 34a_100000739312_100000718602 [2,0,0,0,0,0|2,0,0]=4 8650 B11R0.148 CCCCCNCCCS(=O)C 2230a_200000753449_100000210326 [2,0,0,0,0,0|2,0,0]=4 8651 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209853_100000210326 [2,0,0,0,0,0|2,0,0]=4 8652 B11R0.148 CCCCCNCCNC(=O)C 2230a_100000209983_100000189650 [2,0,0,0,0,0|2,0,0]=4 8653 B11R0.148 CCCCCOCCCC(=O)C 34a_100000210253_100000685027 [2,0,0,0,0,0|1,0,0]=3 8654 B11R0.148 CCCCCOCCCC(=O)C 34a_100000759063_100000718602 [2,0,0,0,0,0|1,0,0]=3 8655 B11R0.148 CCCCCOCCCC(=O)C 7a_100000210253_100011215641 [2,0,0,0,0,0|1,0,0]=3 8656 B11R0.148 CCCCCOCCCC(=O)C 7a_100000759063_100000210326 [2,0,0,0,0,0|1,0,0]=3 8657 B11R0.148 CCCCCOCCCC(=O)N 34a_100000210253_100102525003 [2,0,0,0,0,0|2,0,0]=4 8658 B11R0.148 CCCCCOCCCC(=O)N 7a_100000210253_100102525003 [2,0,0,0,0,0|2,0,0]=4 8659 B11R0.148 CCCCCOCCNC(=O)C 34a_100000158858_100000718602 [2,0,0,0,0,0|2,0,0]=4 8660 B11R0.148 CCCCCOCCNC(=O)C 7a_100000210253_100000189650 [2,0,0,0,0,0|2,0,0]=4 8661 B11R0.148 CCCCCOCCOC(=O)C 34a_100000210253_100009814007 [2,0,0,0,0,0|2,0,0]=4 8662 B11R0.148 CCCCCOCCOC(=O)C 7a_100000210253_100009814007 [2,0,0,0,0,0|2,0,0]=4 8663 B11R0.148 CCCCCSCCCC(=O)C 62a_100000210326_100011215641 [2,0,0,0,0,0|1,0,0]=3 8664 B11R0.148 CCCCCSCCCC(=O)C 62a_100011215641_100000210326 [2,0,0,0,0,0|1,0,0]=3 8665 B11R0.148 CCCCCSCCCC(=O)N 62a_100000210326_100102525003 [2,0,0,0,0,0|2,0,0]=4 8666 B11R0.148 CCCCCSCCCC(=O)N 62a_100102525003_100000210326 [2,0,0,0,0,0|2,0,0]=4 8667 B11R0.148 CCCCCSCCNC(=O)C 62a_100000189650_100000210326 [2,0,0,0,0,0|2,0,0]=4 8668 B11R0.148 CCCCCSCCNC(=O)C 62a_100000210326_100000189650 [2,0,0,0,0,0|2,0,0]=4 8669 B11R0.148 CCCCCSCCOC(=O)C 62a_100000210326_100009814007 [2,0,0,0,0,0|2,0,0]=4 8670 B11R0.148 CCCCCSCCOC(=O)C 62a_100009814007_100000210326 [2,0,0,0,0,0|2,0,0]=4 8671 B11R0.148 CCCCNCCCCC(=O)C 7a_106832991798_100000735457 [2,0,0,0,0,0|1,0,0]=3 8672 B11R0.148 CCCCNCCCCC(=O)N 34a_100000696515_100000210210 [2,0,0,0,0,0|2,0,0]=4 8673 B11R0.148 CCCCNCCCNC(=O)C 34a_100000736810_100000210210 [2,0,0,0,0,0|2,0,0]=4 8674 B11R0.148 CCCCNCCCOC(=O)C 7a_106832991798_100000042594 [2,0,0,0,0,0|2,0,0]=4 8675 B11R0.148 CCCCNCCCSC(=O)C 2230a_100000102301_100000038929 [2,0,0,0,0,0|2,0,0]=4 8676 B11R0.148 CCCCNCCCSC(=O)C 7a_106832991798_100000038929 [2,0,0,0,0,0|2,0,0]=4 8677 B11R0.148 CCCCNCCOCC(=O)O 269956a_100000700818_100000210211 [2,0,0,0,0,0|2,0,0]=4 8678 B11R0.148 CCCCOCCCCC(=O)C 34a_100000210227_100009817362 [2,0,0,0,0,0|1,0,0]=3 8679 B11R0.148 CCCCOCCCCC(=O)C 7a_100000210227_100000735457 [2,0,0,0,0,0|1,0,0]=3 8680 B11R0.148 CCCCOCCCCC(=O)N 34a_100012022536_100000210210 [2,0,0,0,0,0|2,0,0]=4 8681 B11R0.148 CCCCOCCCCC(=O)N 7a_100012022536_100000210211 [2,0,0,0,0,0|2,0,0]=4 8682 B11R0.148 CCCCOCCCNC(=O)C 1626a_200000211371_100015343762 [2,0,0,0,0,0|2,0,0]=4 8683 B11R0.148 CCCCOCCCNC(=O)C 240690a_200000211371_100015343762 [2,0,0,0,0,0|2,0,0]=4 8684 B11R0.148 CCCCOCCCNC(=O)C 34a_100000752032_100000210210 [2,0,0,0,0,0|2,0,0]=4 8685 B11R0.148 CCCCOCCCNC(=O)C 527a_200000211371_100103153847 [2,0,0,0,0,0|2,0,0]=4 8686 B11R0.148 CCCCOCCCOC(=O)C 34a_100000210227_100000042594 [2,0,0,0,0,0|2,0,0]=4 8687 B11R0.148 CCCCOCCCOC(=O)C 7a_100000210227_100000042594 [2,0,0,0,0,0|2,0,0]=4 8688 B11R0.148 CCCCOCCCSC(=O)C 34a_100000210227_100000038929 [2,0,0,0,0,0|2,0,0]=4 8689 B11R0.148 CCCCOCCCSC(=O)C 7a_100000210227_100000038929 [2,0,0,0,0,0|2,0,0]=4 8690 B11R0.148 CCCCOCCNCC(=O)O 269956a_100016091260_100000743108 [2,0,0,0,0,0|2,0,0]=4 8691 B11R0.148 CCCCOCCOCC(=O)C 1458a_100011216887_200000210301 [2,0,0,0,0,0|2,0,0]=4 8692 B11R0.148 CCCCOCCOCC(=O)C 34a_100000211253_100000743108 [2,0,0,0,0,0|2,0,0]=4 8693 B11R0.148 CCCCOCCOCC(=O)[13CH3] 1458a_100011216887_200025704644 [2,0,0,0,0,0|2,0,0]=4 8694 B11R0.148 CCCCOCOCCC(=O)C 34a_100000759926_100011995733 [2,0,0,0,0,0|2,0,0]=4 8695 B11R0.148 CCCCOCSCCC(=O)C 62a_100000053229_100011995733 [2,0,0,0,0,0|2,0,0]=4 8696 B11R0.148 CCCCOCSCCC(=O)C 62a_100011995733_100000053229 [2,0,0,0,0,0|2,0,0]=4 8697 B11R0.148 CCCCSCCCCC(=O)C 62a_100000210211_100000735457 [2,0,0,0,0,0|1,0,0]=3 8698 B11R0.148 CCCCSCCCCC(=O)C 62a_100000735457_100000210210 [2,0,0,0,0,0|1,0,0]=3 8699 B11R0.148 CCCCSCCCOC(=O)C 62a_100000042594_100000210210 [2,0,0,0,0,0|2,0,0]=4 8700 B11R0.148 CCCCSCCCOC(=O)C 62a_100000210211_100000042594 [2,0,0,0,0,0|2,0,0]=4 8701 B11R0.148 CCCCSCCCSC(=O)C 62a_100000038929_100000210210 [2,0,0,0,0,0|2,0,0]=4 8702 B11R0.148 CCCCSCCCSC(=O)C 62a_100000210211_100000038929 [2,0,0,0,0,0|2,0,0]=4 8703 B11R0.148 CCCNCCCCNC(=O)C 2230a_200011368371_100000210303 [2,0,0,0,0,0|2,0,0]=4 8704 B11R0.148 CCCNCCCCNC(=O)C 34a_200011368371_100000210303 [2,0,0,0,0,0|2,0,0]=4 8705 B11R0.148 CCCOCCCCCC(=O)N 34a_100000123541_100000210303 [2,0,0,0,0,0|2,0,0]=4 8706 B11R0.148 CCCOCCCCCC(=O)N 34a_100000210258_100009817443 [2,0,0,0,0,0|2,0,0]=4 8707 B11R0.148 CCCOCCCCCC(=O)N 7a_100000123541_100000210303 [2,0,0,0,0,0|2,0,0]=4 8708 B11R0.148 CCCOCCCCCC(=O)[O-] 7a_100102619762_100000210303 [2,0,0,0,0,0|1,0,1]=4 8709 B11R0.148 CCCOCCCCOC(=O)C 34a_100000073216_100000210303 [2,0,0,0,0,0|2,0,0]=4 8710 B11R0.148 CCCOCCCCOC(=O)C 34a_100000210258_100000033659 [2,0,0,0,0,0|2,0,0]=4 8711 B11R0.148 CCCOCCCCOC(=O)C 7a_100000073216_100000210303 [2,0,0,0,0,0|2,0,0]=4 8712 B11R0.148 CCCOCCCCSC(=O)C 34a_100000210258_200010402107 [2,0,0,0,0,0|2,0,0]=4 8713 B11R0.148 CCCOCCOCCC(=O)C 34a_100000759926_100011215938 [2,0,0,0,0,0|2,0,0]=4 8714 B11R0.148 CCCOCCOCCC(=O)C 7a_100000752267_100000053229 [2,0,0,0,0,0|2,0,0]=4 8715 B11R0.148 CCCOCCOCCC(=O)C 7a_100000759926_100011215938 [2,0,0,0,0,0|2,0,0]=4 8716 B11R0.148 CCCOCCSCCC(=O)C 62a_100000053229_100011215938 [2,0,0,0,0,0|2,0,0]=4 8717 B11R0.148 CCCOCCSCCC(=O)C 62a_100011215938_100000053229 [2,0,0,0,0,0|2,0,0]=4 8718 B11R0.148 CCCSCCCCCC(=O)N 62a_100000210303_100009817443 [2,0,0,0,0,0|2,0,0]=4 8719 B11R0.148 CCCSCCCCCC(=O)N 62a_100009817443_100000210303 [2,0,0,0,0,0|2,0,0]=4 8720 B11R0.148 CCCSCCCCOC(=O)C 62a_100000033659_100000210303 [2,0,0,0,0,0|2,0,0]=4 8721 B11R0.148 CCCSCCCCOC(=O)C 62a_100000210303_100000033659 [2,0,0,0,0,0|2,0,0]=4 8722 B11R0.148 CCCSCCCCSC(=O)C 62a_100000210303_200010402107 [2,0,0,0,0,0|2,0,0]=4 8723 B11R0.148 CCCSCCCCSC(=O)C 62a_200010402107_100000210303 [2,0,0,0,0,0|2,0,0]=4 8724 B11R0.148 CCCSCCOCCC(=O)C 7a_200000230433_100000053229 [2,0,0,0,0,0|2,0,0]=4 8725 B11R0.148 CCNCCCCCNC(=O)C 2230a_200012022750_100000210202 [2,0,0,0,0,0|2,0,0]=4 8726 B11R0.148 CCNCCCCCNC(=O)C 34a_200012022750_100000210202 [2,0,0,0,0,0|2,0,0]=4 8727 B11R0.148 CCNCCCCCOC(=O)C 2230a_100015525214_100009813381 [2,0,0,0,0,0|2,0,0]=4 8728 B11R0.148 CCOCCCCCOC(=O)C 34a_100121572206_100000033007 [2,0,0,0,0,0|2,0,0]=4 8729 B11R0.148 CCOCCCOCCC(=O)C 34a_100000759926_100012232248 [2,0,0,0,0,0|2,0,0]=4 8730 B11R0.148 CCOCCCOCCC(=O)C 7a_100000757476_100000053229 [2,0,0,0,0,0|2,0,0]=4 8731 B11R0.148 CCOCCCOCCC(=O)C 7a_100000759926_100012232248 [2,0,0,0,0,0|2,0,0]=4 8732 B11R0.148 CCOCCCSCCC(=O)C 62a_100000053229_100012232248 [2,0,0,0,0,0|2,0,0]=4 8733 B11R0.148 CCOCCCSCCC(=O)C 62a_100012232248_100000053229 [2,0,0,0,0,0|2,0,0]=4 8734 B11R0.148 CCOCCNCCCC(=O)C 34a_102516460346_100000685027 [2,0,0,0,0,0|2,0,0]=4 8735 B11R0.148 CCOCCOCCCC(=O)C 34a_100000210136_100000685027 [2,0,0,0,0,0|2,0,0]=4 8736 B11R0.148 CCOCCOCCCC(=O)C 34a_100000759063_100000210147 [2,0,0,0,0,0|2,0,0]=4 8737 B11R0.148 CCOCCOCCCC(=O)C 7a_100000210136_100011215641 [2,0,0,0,0,0|2,0,0]=4 8738 B11R0.148 CCOCCOCCCC(=O)C 7a_100000759063_100011215890 [2,0,0,0,0,0|2,0,0]=4 8739 B11R0.148 CCOCCSCCCC(=O)C 62a_100000210147_100011215641 [2,0,0,0,0,0|2,0,0]=4 8740 B11R0.148 CCOCCSCCCC(=O)C 62a_100011215641_100011215890 [2,0,0,0,0,0|2,0,0]=4 8741 B11R0.148 CCOCSCCCCC(=O)C 62a_100000735457_100000739092 [2,0,0,0,0,0|2,0,0]=4 8742 B11R0.148 CCOCSCCCCC(=O)C 62a_100000739092_100000735457 [2,0,0,0,0,0|2,0,0]=4 8743 B11R0.148 CCSCCCCCOC(=O)C 62a_100000033007_100000210202 [2,0,0,0,0,0|2,0,0]=4 8744 B11R0.148 CCSCCCCCOC(=O)C 62a_100000210202_100000033007 [2,0,0,0,0,0|2,0,0]=4 8745 B11R0.148 CCSCCCOCCC(=O)C 7a_100011216438_100000053229 [2,0,0,0,0,0|2,0,0]=4 8746 B11R0.148 CCSCCOCCCC(=O)C 34a_100000212035_100000685027 [2,0,0,0,0,0|2,0,0]=4 8747 B11R0.148 CCSCCOCCCC(=O)C 34a_100000759063_100000757381 [2,0,0,0,0,0|2,0,0]=4 8748 B11R0.148 CCSCCOCCCC(=O)C 7a_100000212035_100011215641 [2,0,0,0,0,0|2,0,0]=4 8749 B11R0.148 CCSCCOCCCC(=O)C 7a_100000759063_100000757381 [2,0,0,0,0,0|2,0,0]=4 8750 B11R0.148 CCSCCSCCCC(=O)C 62a_100000757381_100011215641 [2,0,0,0,0,0|2,0,0]=4 8751 B11R0.148 CCSCCSCCCC(=O)C 62a_100011215641_100000757381 [2,0,0,0,0,0|2,0,0]=4 8752 B11R0.148 CNCCCCCCNC(=O)C 2230a_200011996284_200000210301 [2,0,0,0,0,0|2,0,0]=4 8753 B11R0.148 CNCCCCCCNC(=O)C 34a_200011996284_200000210301 [2,0,0,0,0,0|2,0,0]=4 8754 B11R0.148 CNCCCOCCCC(=O)C 34a_100000213112_100000685027 [2,0,0,0,0,0|2,0,0]=4 8755 B11R0.148 COCCCCOCCC(=O)C 34a_100000759926_100000755781 [2,0,0,0,0,0|2,0,0]=4 8756 B11R0.148 COCCCCOCCC(=O)C 7a_100000759926_100000730899 [2,0,0,0,0,0|2,0,0]=4 8757 B11R0.148 COCCCCSCCC(=O)C 62a_100000053229_100000730899 [2,0,0,0,0,0|2,0,0]=4 8758 B11R0.148 COCCCCSCCC(=O)C 62a_100000730899_100000053229 [2,0,0,0,0,0|2,0,0]=4 8759 B11R0.148 COCCCNCCCC(=O)C 34a_100150723488_100000685027 [2,0,0,0,0,0|2,0,0]=4 8760 B11R0.148 COCCCOCCCC(=O)C 34a_100000740835_100000685027 [2,0,0,0,0,0|2,0,0]=4 8761 B11R0.148 COCCCOCCCC(=O)C 34a_100000759063_100000740836 [2,0,0,0,0,0|2,0,0]=4 8762 B11R0.148 COCCCOCCCC(=O)C 7a_100000759063_100000740836 [2,0,0,0,0,0|2,0,0]=4 8763 B11R0.148 COCCCSCCCC(=O)C 62a_100000709357_100011215641 [2,0,0,0,0,0|2,0,0]=4 8764 B11R0.148 COCCCSCCCC(=O)C 62a_100011215641_100000709357 [2,0,0,0,0,0|2,0,0]=4 8765 B11R0.148 COCCOCCCCC(=O)C 34a_100000210237_100009817362 [2,0,0,0,0,0|2,0,0]=4 8766 B11R0.148 COCCSCCCCC(=O)C 62a_100000233755_100000735457 [2,0,0,0,0,0|2,0,0]=4 8767 B11R0.148 COCCSCCCCC(=O)C 62a_100000735457_100000233755 [2,0,0,0,0,0|2,0,0]=4 8768 B11R0.148 CSCCCCOCCC(=O)C 7a_100011217163_100000053229 [2,0,0,0,0,0|2,0,0]=4 8769 B11R0.148 CSCCCOCCCC(=O)C 34a_100000690336_100000685027 [2,0,0,0,0,0|2,0,0]=4 8770 B11R0.148 CSCCCOCCCC(=O)C 7a_100000690336_100011215641 [2,0,0,0,0,0|2,0,0]=4 8771 B11R0.148 CSCCOCCCCC(=O)C 34a_100000230434_100009817362 [2,0,0,0,0,0|2,0,0]=4 8772 B11R0.148 CSCCOCCCCC(=O)C 7a_100000230434_100000735457 [2,0,0,0,0,0|2,0,0]=4 8773 B11R0.148 CSCCSCCCCC(=O)C 62a_100000212216_100000735457 [2,0,0,0,0,0|2,0,0]=4 8774 B11R0.148 CSCCSCCCCC(=O)C 62a_100000735457_100000751147 [2,0,0,0,0,0|2,0,0]=4 8775 B11R0.148 O=C(O)CNCCCCCCF 269956a_100016091260_100015922095 [2,0,0,0,0,0|2,0,0]=4 8776 B11R0.148 O=C(O)CNCCCCCCO 269956a_100016091260_100000766143 [2,0,0,0,0,0|2,0,0]=4 8777 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000210188_100000753159 [1,1,0,0,0,0|1,0,1]=4 8778 B13R0.66 C#CCCC(=O)CCCCCCCC 1458a_100000692101_100000210759 [1,1,0,0,0,0|1,0,1]=4 8779 B13R0.66 C#CCCCCCCC(=O)COCC 1458a_100000211967_100012276617 [1,1,0,0,0,0|0,0,2]=4 8780 B13R0.66 C#CCNC(=O)CCCCCCCC 11a_100000212058_100000210188 [1,1,0,0,0,0|1,0,1]=4 8781 B13R0.66 C#CCNC(=O)CCCCCCCC 1626a_100000212058_100000210188 [1,1,0,0,0,0|1,0,1]=4 8782 B13R0.66 C#CCNC(=O)CCCCCCCC 240690a_100000212058_100000210188 [1,1,0,0,0,0|1,0,1]=4 8783 B13R0.66 C#CCNC(=O)CCCCCCCC 527a_100000212058_100000210188 [1,1,0,0,0,0|1,0,1]=4 8784 B13R0.66 C/C=C/CC(=O)CCCCCCCC 1458a_100000210188_100102629194 [1,1,0,0,0,0|1,0,1]=4 8785 B13R0.66 C=C(COCCCCCC)OCOC 34a_100000210259_100000042856 [1,1,0,0,0,0|2,0,0]=4 8786 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000042856_100000210757 [1,1,0,0,0,0|2,0,0]=4 8787 B13R0.66 C=C(CSCCCCCC)OCOC 62a_100000210314_100000042856 [1,1,0,0,0,0|2,0,0]=4 8788 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000210188_100000754431 [1,1,0,0,0,0|1,0,1]=4 8789 B13R0.66 C=CCCC(=O)CCCCCCCC 1458a_100000749702_100000210759 [1,1,0,0,0,0|1,0,1]=4 8790 B13R0.66 C=CCCCCCCC(=O)COCC 1458a_100000211967_100011215473 [1,1,0,0,0,0|0,0,2]=4 8791 B13R0.66 C=CCNC(=O)CCCCCCCC 1626a_100020586998_100000210188 [1,1,0,0,0,0|1,0,1]=4 8792 B13R0.66 C=CCNC(=O)CCCCCCCC 240690a_100020586998_100000210188 [1,1,0,0,0,0|1,0,1]=4 8793 B13R0.66 C=CCNC(=O)CCCCCCCC 527a_100020586998_100000210188 [1,1,0,0,0,0|1,0,1]=4 8794 B13R0.66 C=CCOC(=O)CNCCCCCC 2230a_100000210581_100000033060 [1,1,0,0,0,0|1,0,1]=4 8795 B13R0.66 C=CCOC(=O)COCCCCCC 34a_100000210259_100000033060 [1,1,0,0,0,0|1,0,1]=4 8796 B13R0.66 C=CCOC(=O)COCCCCCC 7a_100000210259_100000033060 [1,1,0,0,0,0|1,0,1]=4 8797 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000033060_100000210757 [1,1,0,0,0,0|1,0,1]=4 8798 B13R0.66 C=CCOC(=O)CSCCCCCC 62a_100000210314_100000033060 [1,1,0,0,0,0|1,0,1]=4 8799 B13R0.66 CC#CCC(=O)CCCCCCCC 1458a_100000210188_100000748600 [1,1,0,0,0,0|1,0,1]=4 8800 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100000210188_100000070051 [1,1,0,0,0,0|1,0,1]=4 8801 B13R0.66 CC=CCC(=O)CCCCCCCC 1458a_100121576822_100000210759 [1,1,0,0,0,0|1,0,1]=4 8802 B13R0.66 CCC#CC(=O)CCCCCCCC 1458a_100011827653_100000210759 [1,1,0,0,0,0|1,0,0]=3 8803 B13R0.66 CCC#CC(=O)CCCCCCCO 1458a_100011827653_100000760002 [1,1,0,0,0,0|2,0,0]=4 8804 B13R0.66 CCC#CC(=O)CCCCCCOC 1458a_100011827653_100011998445 [1,1,0,0,0,0|2,0,0]=4 8805 B13R0.66 CCC=CC(=O)CCCCCCCC 1458a_100000212282_100000210759 [1,1,0,0,0,0|1,0,0]=3 8806 B13R0.66 CCC=CC(=O)CCCCCCCO 1458a_100000212282_100000760002 [1,1,0,0,0,0|2,0,0]=4 8807 B13R0.66 CCC=CC(=O)CCCCCCOC 1458a_100000212282_100011998445 [1,1,0,0,0,0|2,0,0]=4 8808 B13R0.66 CCC=CC(=O)NCCCCCCC 11a_100000229938_100000212282 [1,1,0,0,0,0|2,0,0]=4 8809 B13R0.66 CCC=CC(=O)NCCCCCCC 1626a_100000229938_100000212282 [1,1,0,0,0,0|2,0,0]=4 8810 B13R0.66 CCC=CC(=O)NCCCCCCC 240690a_100000229938_100000212282 [1,1,0,0,0,0|2,0,0]=4 8811 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100000210183_100000760002 [1,1,0,0,0,0|2,0,0]=4 8812 B13R0.66 CCCCC(=O)CCCCCCCO 1458a_100011219782_100000210211 [1,1,0,0,0,0|2,0,0]=4 8813 B13R0.66 CCCCC(=O)CCCCCCOC 1458a_100000210183_100011998445 [1,1,0,0,0,0|2,0,0]=4 8814 B13R0.66 CCCCCC#CCC(=O)COCC 1458a_100000211967_100009816472 [1,1,0,0,0,0|0,0,2]=4 8815 B13R0.66 CCCCCCCCC(=NNCC)C 4a_100000756455_100011216694 [1,1,0,0,0,0|2,0,0]=4 8816 B13R0.66 CCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210759 [1,1,0,0,0,0|1,0,1]=4 8817 B13R0.66 CCCCCCCCC(=O)C=COC 1458a_100016268678_100000210759 [1,1,0,0,0,0|1,0,1]=4 8818 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100000210188_100011215226 [1,1,0,0,0,0|1,0,1]=4 8819 B13R0.66 CCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210759 [1,1,0,0,0,0|1,0,1]=4 8820 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210183_100000210759 [1,1,0,0,0,0|1,0,0]=3 8821 B13R0.66 CCCCCCCCC(=O)CCCC 1458a_100000210188_100000210211 [1,1,0,0,0,0|1,0,0]=3 8822 B13R0.66 CCCCCCCCC(=O)CCCF 1458a_100000210188_100011934791 [1,1,0,0,0,0|1,0,0]=3 8823 B13R0.66 CCCCCCCCC(=O)CCCO 1458a_100000210188_100011215043 [1,1,0,0,0,0|1,0,0]=3 8824 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000210188_100000233755 [1,1,0,0,0,0|1,0,0]=3 8825 B13R0.66 CCCCCCCCC(=O)CCOC 1458a_100000749529_100000210759 [1,1,0,0,0,0|1,0,0]=3 8826 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000174002_100000210759 [1,1,0,0,0,0|1,0,0]=3 8827 B13R0.66 CCCCCCCCC(=O)CCSC 1458a_100000210188_100000751147 [1,1,0,0,0,0|1,0,0]=3 8828 B13R0.66 CCCCCCCCC(=O)COCC 1458a_100000211967_100000210759 [1,1,0,0,0,0|0,0,0]=2 8829 B13R0.66 CCCCCCCCC(=O)CSCC 1458a_100000230394_100000210759 [1,1,0,0,0,0|0,1,0]=3 8830 B13R0.66 CCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210188 [1,1,0,0,0,0|1,0,1]=4 8831 B13R0.66 CCCCCCCCC(=O)NCC#N 527a_100000734998_100000210188 [1,1,0,0,0,0|1,0,1]=4 8832 B13R0.66 CCCCCCCCC(=O)NCCC 11a_100020643023_100000210188 [1,1,0,0,0,0|1,0,0]=3 8833 B13R0.66 CCCCCCCCC(=O)NCCC 1626a_100020643023_100000210188 [1,1,0,0,0,0|1,0,0]=3 8834 B13R0.66 CCCCCCCCC(=O)NCCC 240690a_100020643023_100000210188 [1,1,0,0,0,0|1,0,0]=3 8835 B13R0.66 CCCCCCCCC(=O)NCCC 527a_100020643023_100000210188 [1,1,0,0,0,0|1,0,0]=3 8836 B13R0.66 CCCCCCCCC(=O)NCCF 11a_100000724931_100000210188 [1,1,0,0,0,0|1,0,0]=3 8837 B13R0.66 CCCCCCCCC(=O)NCCF 1626a_100000724931_100000210188 [1,1,0,0,0,0|1,0,0]=3 8838 B13R0.66 CCCCCCCCC(=O)NCCF 240690a_100000724931_100000210188 [1,1,0,0,0,0|1,0,0]=3 8839 B13R0.66 CCCCCCCCC(=O)NCCF 527a_100000724931_100000210188 [1,1,0,0,0,0|1,0,0]=3 8840 B13R0.66 CCCCCCCCC(=O)NCCO 240690a_100000210304_100000210188 [1,1,0,0,0,0|1,0,0]=3 8841 B13R0.66 CCCCCCCCC(=O)NCCO 527a_100000210304_100000210188 [1,1,0,0,0,0|1,0,0]=3 8842 B13R0.66 CCCCCCCCC(=O)NNCC 22a_100000756455_100000210188 [1,1,0,0,0,0|1,0,0]=3 8843 B13R0.66 CCCCCCCCC(C)COCC 34a_200012125181_100000210202 [1,1,0,0,0,0|1,0,1]=4 8844 B13R0.66 CCCCCCCCC(C)COCC 7a_200012125181_100000210202 [1,1,0,0,0,0|1,0,1]=4 8845 B13R0.66 CCCCCCCCC(C)OCCC 34a_100000210740_100000210303 [1,1,0,0,0,0|1,0,1]=4 8846 B13R0.66 CCCCCCCCC(C)OCCC 7a_100000210740_100000210303 [1,1,0,0,0,0|1,0,1]=4 8847 B13R0.66 CCCCCCCCC(C)OCCF 34a_100000210740_100011217306 [1,1,0,0,0,0|1,0,1]=4 8848 B13R0.66 CCCCCCCCC(C)OCCF 7a_100000210740_100011217306 [1,1,0,0,0,0|1,0,1]=4 8849 B13R0.66 CCCCCCCCC(C)OCCO 34a_100000210740_100000211926 [1,1,0,0,0,0|1,0,1]=4 8850 B13R0.66 CCCCCCCCC(C)OCCO 7a_100000210740_100000211926 [1,1,0,0,0,0|1,0,1]=4 8851 B13R0.66 CCCCCCCCC(C)OCSC 34a_100000210740_100011218213 [1,1,0,0,0,0|1,0,1]=4 8852 B13R0.66 CCCCCCCCN(C)COCC 269982a_100000207567_100000739092 [1,1,0,0,0,0|2,0,0]=4 8853 B13R0.66 CCCCCCCNC(=O)CCCC 11a_100000229938_100000210183 [1,1,0,0,0,0|2,0,0]=4 8854 B13R0.66 CCCCCCCNC(=O)CCCC 1626a_100000229938_100000210183 [1,1,0,0,0,0|2,0,0]=4 8855 B13R0.66 CCCCCCCNC(=O)CCCC 240690a_100000229938_100000210183 [1,1,0,0,0,0|2,0,0]=4 8856 B13R0.66 CCCCCCCNC(=O)CCCC 527a_100000229938_100000210183 [1,1,0,0,0,0|2,0,0]=4 8857 B13R0.66 CCCCCCCNC(=O)CCOC 11a_100000229938_100000749529 [1,1,0,0,0,0|2,0,0]=4 8858 B13R0.66 CCCCCCCNC(=O)CCOC 1626a_100000229938_100000749529 [1,1,0,0,0,0|2,0,0]=4 8859 B13R0.66 CCCCCCCNC(=O)CCOC 240690a_100000229938_100000749529 [1,1,0,0,0,0|2,0,0]=4 8860 B13R0.66 CCCCCCCNC(=O)CCOC 527a_100000229938_100000749529 [1,1,0,0,0,0|2,0,0]=4 8861 B13R0.66 CCCCCCCNC(=O)CCSC 11a_100000229938_100000174002 [1,1,0,0,0,0|2,0,0]=4 8862 B13R0.66 CCCCCCCNC(=O)CCSC 1626a_100000229938_100000174002 [1,1,0,0,0,0|2,0,0]=4 8863 B13R0.66 CCCCCCCNC(=O)CCSC 240690a_100000229938_100000174002 [1,1,0,0,0,0|2,0,0]=4 8864 B13R0.66 CCCCCCCNC(=O)CCSC 527a_100000229938_100000174002 [1,1,0,0,0,0|2,0,0]=4 8865 B13R0.66 CCCCCCCNC(=O)COCC 11a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 8866 B13R0.66 CCCCCCCNC(=O)COCC 1626a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 8867 B13R0.66 CCCCCCCNC(=O)COCC 240690a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 8868 B13R0.66 CCCCCCCNC(=O)COCC 527a_100000229938_100000211967 [1,1,0,0,0,0|1,0,0]=3 8869 B13R0.66 CCCCCCCNC(=O)CSCC 11a_100000229938_100000230394 [1,1,0,0,0,0|1,1,0]=4 8870 B13R0.66 CCCCCCCNC(=O)CSCC 1626a_100000229938_100000230394 [1,1,0,0,0,0|1,1,0]=4 8871 B13R0.66 CCCCCCCNC(=O)CSCC 240690a_100000229938_100000230394 [1,1,0,0,0,0|1,1,0]=4 8872 B13R0.66 CCCCCCCNC(=O)CSCC 527a_100000229938_100000230394 [1,1,0,0,0,0|1,1,0]=4 8873 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100000229938_100020643023 [1,1,0,0,0,0|2,0,0]=4 8874 B13R0.66 CCCCCCCNC(=O)NCCC 2708a_100020643023_100000229938 [1,1,0,0,0,0|2,0,0]=4 8875 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100000229938_100020643023 [1,1,0,0,0,0|2,0,0]=4 8876 B13R0.66 CCCCCCCNC(=O)NCCC 273464a_100020643023_100000229938 [1,1,0,0,0,0|2,0,0]=4 8877 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100000229938_100020643023 [1,1,0,0,0,0|2,0,0]=4 8878 B13R0.66 CCCCCCCNC(=O)NCCC 512a_100020643023_100000229938 [1,1,0,0,0,0|2,0,0]=4 8879 B13R0.66 CCCCCCCNC(=O)NCCF 2708a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 8880 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 8881 B13R0.66 CCCCCCCNC(=O)NCCF 273464a_100000724931_100000229938 [1,1,0,0,0,0|2,0,0]=4 8882 B13R0.66 CCCCCCCNC(=O)NCCF 512a_100000229938_100000724931 [1,1,0,0,0,0|2,0,0]=4 8883 B13R0.66 CCCCCCCNC(=O)NCCO 2708a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 8884 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000210304_100000229938 [1,1,0,0,0,0|2,0,0]=4 8885 B13R0.66 CCCCCCCNC(=O)NCCO 273464a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 8886 B13R0.66 CCCCCCCNC(=O)NCCO 512a_100000229938_100000210304 [1,1,0,0,0,0|2,0,0]=4 8887 B13R0.66 CCCCCCCNC(=O)NNCC 273464a_100000229938_100000756455 [1,1,0,0,0,0|2,0,0]=4 8888 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000229938_100000756455 [1,1,0,0,0,0|2,0,0]=4 8889 B13R0.66 CCCCCCCNC(=O)NNCC 512a_100000756455_100000229938 [1,1,0,0,0,0|2,0,0]=4 8890 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000174927_100000210314 [1,1,0,0,0,0|2,0,0]=4 8891 B13R0.66 CCCCCCNCC(=O)NCCC 2230a_100000210581_100000183358 [1,1,0,0,0,0|2,0,0]=4 8892 B13R0.66 CCCCCCNCC(=O)NCCF 2230a_100000725713_100000210314 [1,1,0,0,0,0|2,0,0]=4 8893 B13R0.66 CCCCCCNCC(=O)OCCC 2230a_100000210581_200011215008 [1,1,0,0,0,0|1,0,0]=3 8894 B13R0.66 CCCCCCOCC(=O)NCCC 34a_100000210259_100000183358 [1,1,0,0,0,0|2,0,0]=4 8895 B13R0.66 CCCCCCOCC(=O)NCCC 7a_100000210259_100000183358 [1,1,0,0,0,0|2,0,0]=4 8896 B13R0.66 CCCCCCOCC(=O)OCCC 34a_100000210259_200011215008 [1,1,0,0,0,0|1,0,0]=3 8897 B13R0.66 CCCCCCOCC(=O)OCCC 7a_100000210259_200011215008 [1,1,0,0,0,0|1,0,0]=3 8898 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000183358_100000210757 [1,1,0,0,0,0|2,0,0]=4 8899 B13R0.66 CCCCCCSCC(=O)NCCC 62a_100000210314_100000183358 [1,1,0,0,0,0|2,0,0]=4 8900 B13R0.66 CCCCCCSCC(=O)OCCC 62a_100000210314_200011215008 [1,1,0,0,0,0|1,0,0]=3 8901 B13R0.66 CCCCCCSCC(=O)OCCC 62a_200011215008_100000210757 [1,1,0,0,0,0|1,0,0]=3 8902 B13R0.66 CCCCCOCOC(=O)OCCC 34a_100000210253_200000139673 [1,1,0,0,0,0|2,0,0]=4 8903 B13R0.66 CCCCCOCOC(=O)OCCC 7a_100000210253_200000139673 [1,1,0,0,0,0|2,0,0]=4 8904 B13R0.66 CCCCCSCOC(=O)OCCC 62a_100000210326_200000139673 [1,1,0,0,0,0|2,0,0]=4 8905 B13R0.66 CCCCNCCCC(=O)NCCC 2230a_100000102301_100011194427 [1,1,0,0,0,0|2,0,0]=4 8906 B13R0.66 CCCCNCCCC(=O)NCCC 7a_106832991798_100011194427 [1,1,0,0,0,0|2,0,0]=4 8907 B13R0.66 CCCCOCCCC(=O)NCCC 7a_100000210227_100011194427 [1,1,0,0,0,0|2,0,0]=4 8908 B13R0.66 CCCCOCSCC(=O)OCCC 62a_100011995733_200011215008 [1,1,0,0,0,0|2,0,0]=4 8909 B13R0.66 CCCCOCSCC(=O)OCCC 62a_200011215008_100011995733 [1,1,0,0,0,0|2,0,0]=4 8910 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100000210211_100011194427 [1,1,0,0,0,0|2,0,0]=4 8911 B13R0.66 CCCCSCCCC(=O)NCCC 62a_100011194427_100000210210 [1,1,0,0,0,0|2,0,0]=4 8912 B13R0.66 CCCCSCCNC(=O)COCC 11a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 8913 B13R0.66 CCCCSCCNC(=O)COCC 1626a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 8914 B13R0.66 CCCCSCCNC(=O)COCC 240690a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 8915 B13R0.66 CCCCSCCNC(=O)COCC 527a_100025743550_100000211967 [1,1,0,0,0,0|2,0,0]=4 8916 B13R0.66 CCCNC(=O)CCCCCCCO 240690a_100020643023_100011219782 [1,1,0,0,0,0|2,0,0]=4 8917 B13R0.66 CCCOC(=O)CNCCCCCO 2230a_100000762737_200011215008 [1,1,0,0,0,0|2,0,0]=4 8918 B13R0.66 CCCOC(=O)CNCCCCCO 34a_100000762737_200011215008 [1,1,0,0,0,0|2,0,0]=4 8919 B13R0.66 CCCOC(=O)CNCCCOCC 2230a_100000210961_200011215008 [1,1,0,0,0,0|2,0,0]=4 8920 B13R0.66 CCCOC(=O)CNCCCOCC 34a_100000210961_200011215008 [1,1,0,0,0,0|2,0,0]=4 8921 B13R0.66 CCCOC(=O)CNCCSCCC 2230a_100020603323_200011215008 [1,1,0,0,0,0|2,0,0]=4 8922 B13R0.66 CCCOC(=O)COCCCCCBr 34a_100000746331_200011215008 [1,1,0,0,0,0|2,0,0]=4 8923 B13R0.66 CCCOC(=O)COCCCCCBr 7a_100000746331_200011215008 [1,1,0,0,0,0|2,0,0]=4 8924 B13R0.66 CCCOC(=O)COCCCCCCl 34a_100000746330_200011215008 [1,1,0,0,0,0|2,0,0]=4 8925 B13R0.66 CCCOC(=O)COCCCCCCl 7a_100000746330_200011215008 [1,1,0,0,0,0|2,0,0]=4 8926 B13R0.66 CCCOC(=O)COCCCCCI 34a_200012148887_200011215008 [1,1,0,0,0,0|2,0,0]=4 8927 B13R0.66 CCCOC(=O)COCCCCCI 7a_200012148887_200011215008 [1,1,0,0,0,0|2,0,0]=4 8928 B13R0.66 CCCOC(=O)COCCCCCN 34a_100000762737_200011215008 [1,1,0,0,0,0|2,0,0]=4 8929 B13R0.66 CCCOC(=O)COCCCCOC 34a_100000740925_200011215008 [1,1,0,0,0,0|2,0,0]=4 8930 B13R0.66 CCCOC(=O)COCCCCSC 34a_100011217163_200011215008 [1,1,0,0,0,0|2,0,0]=4 8931 B13R0.66 CCCOC(=O)COCCCCSC 7a_100011217163_200011215008 [1,1,0,0,0,0|2,0,0]=4 8932 B13R0.66 CCCOC(=O)COCCCOCC 34a_100000757476_200011215008 [1,1,0,0,0,0|2,0,0]=4 8933 B13R0.66 CCCOC(=O)COCCCOCC 7a_100000757476_200011215008 [1,1,0,0,0,0|2,0,0]=4 8934 B13R0.66 CCCOC(=O)COCCCSCC 34a_100011216438_200011215008 [1,1,0,0,0,0|2,0,0]=4 8935 B13R0.66 CCCOC(=O)COCCCSCC 7a_100011216438_200011215008 [1,1,0,0,0,0|2,0,0]=4 8936 B13R0.66 CCCOC(=O)COCCSCCC 34a_200000230433_200011215008 [1,1,0,0,0,0|2,0,0]=4 8937 B13R0.66 CCCOC(=O)COCCSCCC 7a_200000230433_200011215008 [1,1,0,0,0,0|2,0,0]=4 8938 B13R0.66 CCCOC(=O)CSCCCCCF 62a_100000729378_200011215008 [1,1,0,0,0,0|2,0,0]=4 8939 B13R0.66 CCCOC(=O)CSCCCCCF 62a_200011215008_100000729378 [1,1,0,0,0,0|2,0,0]=4 8940 B13R0.66 CCCOC(=O)CSCCCCCO 62a_100000746330_200011215008 [1,1,0,0,0,0|2,0,0]=4 8941 B13R0.66 CCCOC(=O)CSCCCCCO 62a_200011215008_100000746330 [1,1,0,0,0,0|2,0,0]=4 8942 B13R0.66 CCCOC(=O)CSCCCCOC 62a_100000730899_200011215008 [1,1,0,0,0,0|2,0,0]=4 8943 B13R0.66 CCCOC(=O)CSCCCCOC 62a_200011215008_100000730899 [1,1,0,0,0,0|2,0,0]=4 8944 B13R0.66 CCCOC(=O)CSCCCOCC 62a_100012232248_200011215008 [1,1,0,0,0,0|2,0,0]=4 8945 B13R0.66 CCCOC(=O)CSCCCOCC 62a_200011215008_100012232248 [1,1,0,0,0,0|2,0,0]=4 8946 B13R0.66 CCCOCCCNC(=O)COCC 1626a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 8947 B13R0.66 CCCOCCCNC(=O)COCC 240690a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 8948 B13R0.66 CCCOCCCNC(=O)COCC 527a_100011217757_100000211967 [1,1,0,0,0,0|2,0,0]=4 8949 B13R0.66 CCCOCCNCC(=O)OCCC 2230a_100161115042_200011215008 [1,1,0,0,0,0|2,0,0]=4 8950 B13R0.66 CCCOCCNCC(=O)OCCC 34a_100161115042_200011215008 [1,1,0,0,0,0|2,0,0]=4 8951 B13R0.66 CCCOCCOCC(=O)OCCC 34a_100000752267_200011215008 [1,1,0,0,0,0|2,0,0]=4 8952 B13R0.66 CCCOCCOCC(=O)OCCC 7a_100000752267_200011215008 [1,1,0,0,0,0|2,0,0]=4 8953 B13R0.66 CCCOCCSCC(=O)OCCC 62a_100011215938_200011215008 [1,1,0,0,0,0|2,0,0]=4 8954 B13R0.66 CCCOCCSCC(=O)OCCC 62a_200011215008_100011215938 [1,1,0,0,0,0|2,0,0]=4 8955 B13R0.66 CCNNC(=O)CCCCCCCO 22a_100000756455_100011219782 [1,1,0,0,0,0|2,0,0]=4 8956 B13R0.66 CCOCC(=O)CCCCCCC#N 1458a_100000211967_100009813337 [1,1,0,0,0,0|1,0,1]=4 8957 B13R0.66 CCOCC(=O)CCCCCCCO 1458a_100000211967_100000760002 [1,1,0,0,0,0|1,0,0]=3 8958 B13R0.66 CCOCC(=O)CCCCCCOC 1458a_100000211967_100011998445 [1,1,0,0,0,0|1,0,0]=3 8959 B13R0.66 CCOCC(=O)CCCOCCOC 1458a_100000211967_100011216529 [1,1,0,0,0,0|2,0,0]=4 8960 B13R0.66 CCOCC(=O)NCCCCCCO 240690a_100000686447_100000211967 [1,1,0,0,0,0|2,0,0]=4 8961 B13R0.66 CCOCC(=O)NCCCCCCO 527a_100000686447_100000211967 [1,1,0,0,0,0|2,0,0]=4 8962 B13R0.66 CCOCC(=O)NCCCCCOC 11a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 8963 B13R0.66 CCOCC(=O)NCCCCCOC 1626a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 8964 B13R0.66 CCOCC(=O)NCCCCCOC 240690a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 8965 B13R0.66 CCOCC(=O)NCCCCCOC 527a_100000747528_100000211967 [1,1,0,0,0,0|2,0,0]=4 8966 B13R0.66 CCOCCOCCC(=O)COCC 1458a_100000211967_100011211534 [1,1,0,0,0,0|2,0,0]=4 8967 B13R0.66 CCSCC(=O)CCCCCCCO 1458a_100000230394_100000760002 [1,1,0,0,0,0|1,1,0]=4 8968 B13R0.66 CCSCC(=O)CCCCCCOC 1458a_100000230394_100011998445 [1,1,0,0,0,0|1,1,0]=4 8969 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100000749529_100000760002 [1,1,0,0,0,0|2,0,0]=4 8970 B13R0.66 COCCC(=O)CCCCCCCO 1458a_100011219782_100000233755 [1,1,0,0,0,0|2,0,0]=4 8971 B13R0.66 COCCCCCCC(=O)CCOC 1458a_100000749529_100011998445 [1,1,0,0,0,0|2,0,0]=4 8972 B13R0.66 COCCCCCCC(=O)CCSC 1458a_100000174002_100011998445 [1,1,0,0,0,0|2,0,0]=4 8973 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100000174002_100000760002 [1,1,0,0,0,0|2,0,0]=4 8974 B13R0.66 CSCCC(=O)CCCCCCCO 1458a_100011219782_100000751147 [1,1,0,0,0,0|2,0,0]=4 8975 B13R0.66 O=C(CCCCCCCO)NCCF 240690a_100000724931_100011219782 [1,1,0,0,0,0|2,0,0]=4 8976 B13R0.66 O=C(CCCCCCCO)NCCO 240690a_100000210304_100011219782 [1,1,0,0,0,0|2,0,0]=4 8977 B13R0.66 O=C(CCCF)CCCCCCCO 1458a_100011219782_100011934791 [1,1,0,0,0,0|2,0,0]=4 8978 B13R0.66 O=C(CCCO)CCCCCCCO 1458a_100011219782_100011215043 [1,1,0,0,0,0|2,0,0]=4 8979 B13R0.87 CCCC(=O)COCCCC(C)CC 7a_100011216074_100000747444 [1,1,0,0,0,0|2,0,0]=4 8980 B13R0.87 CCNC(=O)CCNCCC(C)CC 2230a_100020591266_100000737597 [1,1,0,0,0,0|2,0,0]=4 8981 B13R0.87 CCNC(=O)CCOCCC(C)CC 7a_100011215188_100000737597 [1,1,0,0,0,0|2,0,0]=4 8982 B13R0.87 CCNC(=O)COCCCC(C)CC 7a_100011216074_100000183381 [1,1,0,0,0,0|2,0,0]=4 8983 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000037472_100000210202 [1,1,0,0,0,0|0,0,1]=3 8984 B13R0.87 CCOC(=O)CCCCCC(=O)CC 1458a_100000210414_100000755133 [1,1,0,0,0,0|0,0,1]=3 8985 B13R0.87 CCOC(=O)CCCCCC(=O)CF 1458a_100000037472_100015361967 [1,1,0,0,0,0|1,0,1]=4 8986 B13R0.87 CCOC(=O)CCCCCC(=O)CO 1458a_100000210174_100000755133 [1,1,0,0,0,0|1,0,1]=4 8987 B13R0.87 CCOC(=O)CCCCCC(=O)NC 11a_106832991635_100000037472 [1,1,0,0,0,0|1,0,1]=4 8988 B13R0.87 CCOC(=O)CCCCCC(=O)NC 1626a_100102657272_100000037472 [1,1,0,0,0,0|1,0,1]=4 8989 B13R0.87 CCOC(=O)CCCCCC(=O)NC 240690a_100102657272_100000037472 [1,1,0,0,0,0|1,0,1]=4 8990 B13R0.87 CCOC(=O)CCCCCC(=O)NC 527a_100102657272_100000037472 [1,1,0,0,0,0|1,0,1]=4 8991 B13R0.87 CCOC(=O)CCCCCN(C)CC 2230a_100000225621_100000755133 [1,1,0,0,0,0|1,0,0]=3 8992 B13R0.87 CCOC(=O)CCCCCN(C)CC 269982a_100000225621_100000755133 [1,1,0,0,0,0|1,0,0]=3 8993 B13R0.87 CCOC(=O)CCCCNC(=O)CC 188690a_100000718961_100000210414 [1,1,0,0,0,0|1,0,1]=4 8994 B13R0.87 CCOC(=O)CCCCNC(C)CC 2230a_100000209981_100000750268 [1,1,0,0,0,0|1,0,0]=3 8995 B13R0.87 CCOC(=O)CCCCN[C@H](C)CO 2230a_100000737577_100000750268 [1,1,0,0,0,0|2,0,0]=4 8996 B13R0.87 CCOC(=O)CCCCOC(C)CC 7a_100000210228_100000750268 [1,1,0,0,0,0|1,0,0]=3 8997 B13R0.87 CCOC(=O)CCCCOC(C)CF 34a_100016041109_100000750268 [1,1,0,0,0,0|2,0,0]=4 8998 B13R0.87 CCOC(=O)CCCCOC(C)CF 7a_100016041109_100000750268 [1,1,0,0,0,0|2,0,0]=4 8999 B13R0.87 CCOC(=O)CCCCOC(C)CN 34a_100000210904_100000750268 [1,1,0,0,0,0|2,0,0]=4 9000 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000750268_100000758301 [1,1,0,0,0,0|1,0,0]=3 9001 B13R0.87 CCOC(=O)CCCCSC(C)CC 62a_100000758301_100000750268 [1,1,0,0,0,0|1,0,0]=3 9002 B13R0.87 CCOC(=O)CCCCSC(C)CO 62a_100012180447_100000750268 [1,1,0,0,0,0|2,0,0]=4 9003 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100000750268_100009879195 [1,1,0,0,0,0|2,0,0]=4 9004 B13R0.87 CCOC(=O)CCCCSC(C)OC 62a_100009879195_100000750268 [1,1,0,0,0,0|2,0,0]=4 9005 B13R0.87 CCOC(=O)CCCCS[C@H](C)CO 62a_100000750268_100016084084 [1,1,0,0,0,0|2,0,0]=4 9006 B13R0.87 CCOC(=O)CCCCS[C@H](C)CO 62a_100016084084_100000750268 [1,1,0,0,0,0|2,0,0]=4 9007 B13R0.87 CCOC(=O)CCCNCC(C)CC 2230a_100020588543_100009991533 [1,1,0,0,0,0|1,0,0]=3 9008 B13R0.87 CCOC(=O)CCCNCC(C)CO 34a_100000744482_100009991533 [1,1,0,0,0,0|2,0,0]=4 9009 B13R0.87 CCOC(=O)CCCNCC(O)CC 2230a_100011218483_100009991533 [1,1,0,0,0,0|1,0,0]=3 9010 B13R0.87 CCOC(=O)CCCNC[C@@H](C)OC 2230a_100020591295_100009991533 [1,1,0,0,0,0|2,0,0]=4 9011 B13R0.87 CCOC(=O)CCCNC[C@@H](F)CO 34a_100015665980_100009991533 [1,1,0,0,0,0|2,0,0]=4 9012 B13R0.87 CCOC(=O)CCCNC[C@H](O)CO 2230a_100020644852_100009991533 [1,1,0,0,0,0|2,0,0]=4 9013 B13R0.87 CCOC(=O)CCCOCC(=O)CC 34a_100000725409_100009991533 [1,1,0,0,0,0|1,0,1]=4 9014 B13R0.87 CCOC(=O)CCCOCC(=O)CC 7a_100012001163_100000747405 [1,1,0,0,0,0|1,0,1]=4 9015 B13R0.87 CCOC(=O)CCCOCC(C)CC 7a_100012001163_100000748023 [1,1,0,0,0,0|1,0,0]=3 9016 B13R0.87 CCOC(=O)CCCOCC(C)CN 34a_100000744482_100009991533 [1,1,0,0,0,0|2,0,0]=4 9017 B13R0.87 CCOC(=O)CCCOCC(C)OC 34a_100000690652_100009991533 [1,1,0,0,0,0|2,0,0]=4 9018 B13R0.87 CCOC(=O)CCCOCC(Cl)CCl 34a_100000033668_100009991533 [1,1,0,0,0,0|2,0,0]=4 9019 B13R0.87 CCOC(=O)CCCOCC(O)CC 7a_100012001163_100011218378 [1,1,0,0,0,0|1,0,0]=3 9020 B13R0.87 CCOC(=O)CCCOCC(O)CO 7a_100012001163_100011219619 [1,1,0,0,0,0|2,0,0]=4 9021 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100009816381_100011215271 [1,1,0,0,0,0|1,0,0]=3 9022 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CC 7a_100012001163_100009816398 [1,1,0,0,0,0|1,0,0]=3 9023 B13R0.87 CCOC(=O)CCCOC[C@@H](C)CO 7a_100012001163_100000059175 [1,1,0,0,0,0|2,0,0]=4 9024 B13R0.87 CCOC(=O)CCCOC[C@@H](O)CF 7a_100012001163_100015614560 [1,1,0,0,0,0|2,0,0]=4 9025 B13R0.87 CCOC(=O)CCCOC[C@@H](O)CO 7a_100012001163_100009815848 [1,1,0,0,0,0|2,0,0]=4 9026 B13R0.87 CCOC(=O)CCCOC[C@H](F)CN 34a_100015665980_100009991533 [1,1,0,0,0,0|2,0,0]=4 9027 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100000747405_100009991533 [1,1,0,0,0,0|1,0,1]=4 9028 B13R0.87 CCOC(=O)CCCSCC(=O)CC 62a_100009991533_100000747405 [1,1,0,0,0,0|1,0,1]=4 9029 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100000748023_100009991533 [1,1,0,0,0,0|1,0,0]=3 9030 B13R0.87 CCOC(=O)CCCSCC(C)CC 62a_100009991533_100000748023 [1,1,0,0,0,0|1,0,0]=3 9031 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100009991533_100011218378 [1,1,0,0,0,0|1,0,0]=3 9032 B13R0.87 CCOC(=O)CCCSCC(O)CC 62a_100011218378_100009991533 [1,1,0,0,0,0|1,0,0]=3 9033 B13R0.87 CCOC(=O)CCCSCC(O)CO 62a_100009991533_100011219619 [1,1,0,0,0,0|2,0,0]=4 9034 B13R0.87 CCOC(=O)CCCSCC(O)CO 62a_100011219619_100009991533 [1,1,0,0,0,0|2,0,0]=4 9035 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009816398_100009991533 [1,1,0,0,0,0|1,0,0]=3 9036 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CC 62a_100009991533_100009816398 [1,1,0,0,0,0|1,0,0]=3 9037 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CO 62a_100000059175_100009991533 [1,1,0,0,0,0|2,0,0]=4 9038 B13R0.87 CCOC(=O)CCCSC[C@@H](C)CO 62a_100009991533_100000059175 [1,1,0,0,0,0|2,0,0]=4 9039 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CF 62a_100009991533_100015614560 [1,1,0,0,0,0|2,0,0]=4 9040 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CF 62a_100015614560_100009991533 [1,1,0,0,0,0|2,0,0]=4 9041 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CO 62a_100009815848_100009991533 [1,1,0,0,0,0|2,0,0]=4 9042 B13R0.87 CCOC(=O)CCCSC[C@@H](O)CO 62a_100009991533_100009815848 [1,1,0,0,0,0|2,0,0]=4 9043 B13R0.87 CCOC(=O)CCNCCC(C)CC 2230a_100020591266_100011206558 [1,1,0,0,0,0|1,0,0]=3 9044 B13R0.87 CCOC(=O)CCNCCC(C)CO 2230a_106354213184_100011206558 [1,1,0,0,0,0|2,0,0]=4 9045 B13R0.87 CCOC(=O)CCNCCC(C)CO 34a_106354213184_100000765890 [1,1,0,0,0,0|2,0,0]=4 9046 B13R0.87 CCOC(=O)CCOCCC(C)CC 7a_100011215188_100011206558 [1,1,0,0,0,0|1,0,0]=3 9047 B13R0.87 CCOC(=O)CCOCCC(C)OC 7a_100000764861_100011206558 [1,1,0,0,0,0|2,0,0]=4 9048 B13R0.87 CCOC(=O)COCCCC(=O)CC 1458a_100000210414_100009893628 [1,1,0,0,0,0|1,0,1]=4 9049 B13R0.87 CCOC(=O)COCCCC(C)CC 7a_100011216074_100000188475 [1,1,0,0,0,0|1,0,0]=3 9050 B13R0.87 CCOC(=O)COCCCN(C)CC 2230a_100000225621_100009893628 [1,1,0,0,0,0|2,0,0]=4 9051 B13R0.87 CCOC(=O)COCCCN(C)CC 269982a_100000225621_100009893628 [1,1,0,0,0,0|2,0,0]=4 9052 B13R0.87 CCOC(=O)COCCC[C@@H](C)CN 34a_100160569302_100000188475 [1,1,0,0,0,0|2,0,0]=4 9053 B13R0.87 CCOC(=O)COCCNC(C)CC 2230a_100000209981_100000088970 [1,1,0,0,0,0|2,0,0]=4 9054 B13R0.87 CCOC(=O)COCCOC(C)CC 7a_100000210228_100000088970 [1,1,0,0,0,0|2,0,0]=4 9055 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000088970_100000758301 [1,1,0,0,0,0|2,0,0]=4 9056 B13R0.87 CCOC(=O)COCCSC(C)CC 62a_100000758301_100000088970 [1,1,0,0,0,0|2,0,0]=4 9057 B13R0.87 CCOC(=O)CSCCCN(C)CC 62a_100000188475_100015186262 [1,1,0,0,0,0|2,0,0]=4 9058 B13R0.87 CCOC(=O)CSCCOC(C)CC 7a_200000230590_100000758301 [1,1,0,0,0,0|2,0,0]=4 9059 B13R0.87 CCOC(=O)NCCOCC(C)CC 34a_100000158857_100000748023 [1,1,0,0,0,0|2,0,0]=4 9060 B13R0.87 CCOC(=O)NCCOCC(O)CC 34a_100000158857_100011218378 [1,1,0,0,0,0|2,0,0]=4 9061 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 34a_100000158857_100009816398 [1,1,0,0,0,0|2,0,0]=4 9062 B13R0.87 CCOC(=O)NCCOC[C@@H](C)CC 7a_100009816381_200011445536 [1,1,0,0,0,0|2,0,0]=4 9063 B13R0.87 CCOC(=O)NCCSCC(C)CC 62a_100000748023_200011445536 [1,1,0,0,0,0|2,0,0]=4 9064 B13R0.87 CCOC(=O)NCCSCC(O)CC 62a_100011218378_200011445536 [1,1,0,0,0,0|2,0,0]=4 9065 B13R0.87 CCOC(=O)NCCSC[C@@H](C)CC 62a_100009816398_200011445536 [1,1,0,0,0,0|2,0,0]=4 9066 B13R0.88 C=C(C)CCOCCCC(=O)OCC 34a_100000764851_100009991533 [1,1,0,0,0,0|1,0,1]=4 9067 B13R0.88 C=C(C)CCOCCCC(=O)OCC 7a_100012001163_100000730704 [1,1,0,0,0,0|1,0,1]=4 9068 B13R0.88 C=C(C)CCSCCCC(=O)OCC 62a_100000730704_100009991533 [1,1,0,0,0,0|1,0,1]=4 9069 B13R0.88 C=C(C)CCSCCCC(=O)OCC 62a_100009991533_100000730704 [1,1,0,0,0,0|1,0,1]=4 9070 B13R0.88 C=C(C)COCCCCC(=O)OCC 34a_100000210245_100000750268 [1,1,0,0,0,0|1,0,1]=4 9071 B13R0.88 C=C(C)CSCCCCC(=O)OCC 62a_100000748629_100000750268 [1,1,0,0,0,0|1,0,1]=4 9072 B13R0.88 C=C(C)CSCCCCC(=O)OCC 62a_100000750268_100000211660 [1,1,0,0,0,0|1,0,1]=4 9073 B13R0.88 CC(C)CCCCCCC(=O)CCF 1458a_100000040743_100011217306 [1,1,0,0,0,0|2,0,0]=4 9074 B13R0.88 CC(C)CCCCCCC(=O)CCO 1458a_100000040743_100000211926 [1,1,0,0,0,0|2,0,0]=4 9075 B13R0.88 CCCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210303 [1,1,0,0,0,0|1,0,0]=3 9076 B13R0.88 CCCC(=O)COCCCCC(C)C 7a_100011214890_100000747444 [1,1,0,0,0,0|2,0,0]=4 9077 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100000747444_100011216152 [1,1,0,0,0,0|2,0,0]=4 9078 B13R0.88 CCCC(=O)CSCCCCC(C)C 62a_100011216152_100000747444 [1,1,0,0,0,0|2,0,0]=4 9079 B13R0.88 CCCC(=O)NCCCCCC(C)C 1626a_100011290863_100000211992 [1,1,0,0,0,0|2,0,0]=4 9080 B13R0.88 CCCC(=O)NCCCCCC(C)C 240690a_100011290863_100000211992 [1,1,0,0,0,0|2,0,0]=4 9081 B13R0.88 CCCC(=O)NCCCCCC(C)C 527a_100011290863_100000211992 [1,1,0,0,0,0|2,0,0]=4 9082 B13R0.88 CCNC(=O)CCCCCCC(C)C 11a_100015525214_100000040743 [1,1,0,0,0,0|1,0,0]=3 9083 B13R0.88 CCNC(=O)CCCCCCC(C)C 240690a_100015525214_100000040743 [1,1,0,0,0,0|1,0,0]=3 9084 B13R0.88 CCNC(=O)CCCCCCC(C)C 527a_100015525214_100000040743 [1,1,0,0,0,0|1,0,0]=3 9085 B13R0.88 CCNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737597 [1,1,0,0,0,0|2,0,0]=4 9086 B13R0.88 CCNC(=O)CCNCCCC(C)C 34a_100025743525_100011214892 [1,1,0,0,0,0|2,0,0]=4 9087 B13R0.88 CCNC(=O)CCNCCCC(C)O 34a_100025743525_200000718107 [1,1,0,0,0,0|2,0,0]=4 9088 B13R0.88 CCNC(=O)CCOCCCC(C)C 7a_100000210774_100000737597 [1,1,0,0,0,0|2,0,0]=4 9089 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100000737597_100011214892 [1,1,0,0,0,0|2,0,0]=4 9090 B13R0.88 CCNC(=O)CCSCCCC(C)C 62a_100011214892_100000737597 [1,1,0,0,0,0|2,0,0]=4 9091 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_100000737597_200000718107 [1,1,0,0,0,0|2,0,0]=4 9092 B13R0.88 CCNC(=O)CCSCCCC(C)O 62a_200000718107_100000737597 [1,1,0,0,0,0|2,0,0]=4 9093 B13R0.88 CCNC(=O)CNCCCCC(C)C 2230a_100016988866_100011216152 [1,1,0,0,0,0|2,0,0]=4 9094 B13R0.88 CCNC(=O)COCCCCC(C)C 34a_100011214890_100000183381 [1,1,0,0,0,0|2,0,0]=4 9095 B13R0.88 CCNC(=O)COCCCCC(C)C 7a_100011214890_100000183381 [1,1,0,0,0,0|2,0,0]=4 9096 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100000183381_100011216152 [1,1,0,0,0,0|2,0,0]=4 9097 B13R0.88 CCNC(=O)CSCCCCC(C)C 62a_100011216152_100000183381 [1,1,0,0,0,0|2,0,0]=4 9098 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 9099 B13R0.88 CCNC(=O)NCCCCCC(C)C 2708a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 9100 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 9101 B13R0.88 CCNC(=O)NCCCCCC(C)C 273464a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 9102 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100011290863_100015525214 [1,1,0,0,0,0|2,0,0]=4 9103 B13R0.88 CCNC(=O)NCCCCCC(C)C 512a_100015525214_100011290863 [1,1,0,0,0,0|2,0,0]=4 9104 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000031895_200000210301 [1,1,0,0,0,0|0,0,1]=3 9105 B13R0.88 CCOC(=O)CCCCCCC(=O)C 1458a_100000070787_100009814379 [1,1,0,0,0,0|0,0,1]=3 9106 B13R0.88 CCOC(=O)CCCCCCC(=O)[13CH3] 1458a_100000031895_200025704644 [1,1,0,0,0,0|0,0,1]=3 9107 B13R0.88 CCOC(=O)CCCCCCN(C)C 2230a_100102631434_100009814379 [1,1,0,0,0,0|1,0,0]=3 9108 B13R0.88 CCOC(=O)CCCCCCN(C)C 269982a_100102631434_100009814379 [1,1,0,0,0,0|1,0,0]=3 9109 B13R0.88 CCOC(=O)CCCCCNC(=O)C 188690a_100000062434_100015343762 [1,1,0,0,0,0|1,0,1]=4 9110 B13R0.88 CCOC(=O)CCCCCNC(C)C 2230a_100138425928_100000755133 [1,1,0,0,0,0|1,0,0]=3 9111 B13R0.88 CCOC(=O)CCCCCNC(C)C 34a_100138425928_100000755133 [1,1,0,0,0,0|1,0,0]=3 9112 B13R0.88 CCOC(=O)CCCCCOC(C)C 34a_100000212225_100000755133 [1,1,0,0,0,0|1,0,0]=3 9113 B13R0.88 CCOC(=O)CCCCCOC(C)C 7a_100011214988_100000210206 [1,1,0,0,0,0|1,0,0]=3 9114 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000210206_100000755133 [1,1,0,0,0,0|1,0,0]=3 9115 B13R0.88 CCOC(=O)CCCCCSC(C)C 62a_100000755133_100000210206 [1,1,0,0,0,0|1,0,0]=3 9116 B13R0.88 CCOC(=O)CCCCNCC(C)C 2230a_100000210953_100000750268 [1,1,0,0,0,0|1,0,0]=3 9117 B13R0.88 CCOC(=O)CCCCNCC(C)C 34a_100000210953_100000750268 [1,1,0,0,0,0|1,0,0]=3 9118 B13R0.88 CCOC(=O)CCCCNCC(C)O 2230a_100000210904_100000750268 [1,1,0,0,0,0|1,0,0]=3 9119 B13R0.88 CCOC(=O)CCCCNCC(C)O 34a_100000210904_100000750268 [1,1,0,0,0,0|1,0,0]=3 9120 B13R0.88 CCOC(=O)CCCCNCC(F)F 34a_100000765723_100000750268 [1,1,0,0,0,0|2,0,0]=4 9121 B13R0.88 CCOC(=O)CCCCOCC(=O)C 34a_100000211253_100000750268 [1,1,0,0,0,0|1,0,1]=4 9122 B13R0.88 CCOC(=O)CCCCOCC(C)Br 34a_100012180447_100000750268 [1,1,0,0,0,0|1,0,0]=3 9123 B13R0.88 CCOC(=O)CCCCOCC(C)C 34a_100000210257_100000750268 [1,1,0,0,0,0|1,0,0]=3 9124 B13R0.88 CCOC(=O)CCCCOCC(C)F 34a_100015925927_100000750268 [1,1,0,0,0,0|1,0,0]=3 9125 B13R0.88 CCOC(=O)CCCCOCC(F)F 34a_100000743014_100000750268 [1,1,0,0,0,0|2,0,0]=4 9126 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000750268 [1,1,0,0,0,0|1,0,0]=3 9127 B13R0.88 CCOC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000750268 [1,1,0,0,0,0|1,0,0]=3 9128 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000210624_100000750268 [1,1,0,0,0,0|1,0,0]=3 9129 B13R0.88 CCOC(=O)CCCCSCC(C)C 62a_100000750268_100000210760 [1,1,0,0,0,0|1,0,0]=3 9130 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100000750268_100011218427 [1,1,0,0,0,0|1,0,0]=3 9131 B13R0.88 CCOC(=O)CCCCSCC(C)O 62a_100011218427_100000750268 [1,1,0,0,0,0|1,0,0]=3 9132 B13R0.88 CCOC(=O)CCCCSCC(F)F 62a_100000750268_100011934356 [1,1,0,0,0,0|2,0,0]=4 9133 B13R0.88 CCOC(=O)CCCCSCC(F)F 62a_100011934356_100000750268 [1,1,0,0,0,0|2,0,0]=4 9134 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100000750268_100009817552 [1,1,0,0,0,0|1,0,0]=3 9135 B13R0.88 CCOC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000750268 [1,1,0,0,0,0|1,0,0]=3 9136 B13R0.88 CCOC(=O)CCCNCCC(C)O 2230a_200000755665_100009991533 [1,1,0,0,0,0|1,0,0]=3 9137 B13R0.88 CCOC(=O)CCCOCCC(=O)C 34a_100000759926_100009991533 [1,1,0,0,0,0|1,0,1]=4 9138 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100000759926_100011215271 [1,1,0,0,0,0|1,0,1]=4 9139 B13R0.88 CCOC(=O)CCCOCCC(=O)C 7a_100012001163_100000053229 [1,1,0,0,0,0|1,0,1]=4 9140 B13R0.88 CCOC(=O)CCCOCCC(C)Br 34a_100009893172_100009991533 [1,1,0,0,0,0|1,0,0]=3 9141 B13R0.88 CCOC(=O)CCCOCCC(C)C 34a_100000210254_100009991533 [1,1,0,0,0,0|1,0,0]=3 9142 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100000210254_100011215271 [1,1,0,0,0,0|1,0,0]=3 9143 B13R0.88 CCOC(=O)CCCOCCC(C)C 7a_100012001163_100000210626 [1,1,0,0,0,0|1,0,0]=3 9144 B13R0.88 CCOC(=O)CCCOCCC(C)O 7a_100012001163_100012276601 [1,1,0,0,0,0|1,0,0]=3 9145 B13R0.88 CCOC(=O)CCCOCCC(F)F 34a_100103093639_100009991533 [1,1,0,0,0,0|2,0,0]=4 9146 B13R0.88 CCOC(=O)CCCOCCN(C)C 7a_100012001163_100000755713 [1,1,0,0,0,0|2,0,0]=4 9147 B13R0.88 CCOC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100009991533 [1,1,0,0,0,0|1,0,0]=3 9148 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100000053229_100009991533 [1,1,0,0,0,0|1,0,1]=4 9149 B13R0.88 CCOC(=O)CCCSCCC(=O)C 62a_100009991533_100000053229 [1,1,0,0,0,0|1,0,1]=4 9150 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100000210312_100009991533 [1,1,0,0,0,0|1,0,0]=3 9151 B13R0.88 CCOC(=O)CCCSCCC(C)C 62a_100009991533_100000210312 [1,1,0,0,0,0|1,0,0]=3 9152 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100009991533_100012276601 [1,1,0,0,0,0|1,0,0]=3 9153 B13R0.88 CCOC(=O)CCCSCCC(C)O 62a_100012276601_100009991533 [1,1,0,0,0,0|1,0,0]=3 9154 B13R0.88 CCOC(=O)CCCSCCN(C)C 62a_100009991533_100000755713 [1,1,0,0,0,0|2,0,0]=4 9155 B13R0.88 CCOC(=O)CCCSCOC(C)C 62a_100000709892_100009991533 [1,1,0,0,0,0|2,0,0]=4 9156 B13R0.88 CCOC(=O)CCCSCOC(C)C 62a_100009991533_100000709892 [1,1,0,0,0,0|2,0,0]=4 9157 B13R0.88 CCOC(=O)CCNCCCC(C)C 2230a_200000737386_100011206558 [1,1,0,0,0,0|1,0,0]=3 9158 B13R0.88 CCOC(=O)CCNCCCC(C)C 34a_200000737386_100000765890 [1,1,0,0,0,0|1,0,0]=3 9159 B13R0.88 CCOC(=O)CCNCCCS(=O)C 2230a_200000753449_100011206558 [1,1,0,0,0,0|2,0,0]=4 9160 B13R0.88 CCOC(=O)CCNCCOC(C)C 2230a_100000701111_100011206558 [1,1,0,0,0,0|2,0,0]=4 9161 B13R0.88 CCOC(=O)CCNCCOC(C)C 34a_100000701111_100000765890 [1,1,0,0,0,0|2,0,0]=4 9162 B13R0.88 CCOC(=O)CCNCCSC(C)C 2230a_100000731138_100011206558 [1,1,0,0,0,0|2,0,0]=4 9163 B13R0.88 CCOC(=O)CCNCCSC(C)C 34a_100000731138_100000765890 [1,1,0,0,0,0|2,0,0]=4 9164 B13R0.88 CCOC(=O)CCOCCCC(=O)C 34a_100000759063_100000765890 [1,1,0,0,0,0|1,0,1]=4 9165 B13R0.88 CCOC(=O)CCOCCCC(=O)C 7a_100000759063_100011206558 [1,1,0,0,0,0|1,0,1]=4 9166 B13R0.88 CCOC(=O)CCOCCCC(C)C 34a_100000210774_100000765890 [1,1,0,0,0,0|1,0,0]=3 9167 B13R0.88 CCOC(=O)CCOCCCC(C)C 7a_100000210774_100011206558 [1,1,0,0,0,0|1,0,0]=3 9168 B13R0.88 CCOC(=O)CCOCCNC(C)C 34a_100000224655_100000765890 [1,1,0,0,0,0|2,0,0]=4 9169 B13R0.88 CCOC(=O)CCOCCOC(C)C 34a_100000211219_100000765890 [1,1,0,0,0,0|2,0,0]=4 9170 B13R0.88 CCOC(=O)CCOCCOC(C)C 7a_100000211219_100011206558 [1,1,0,0,0,0|2,0,0]=4 9171 B13R0.88 CCOC(=O)CCOCCSC(C)C 34a_200011212901_100000765890 [1,1,0,0,0,0|2,0,0]=4 9172 B13R0.88 CCOC(=O)CCOCCSC(C)C 7a_200011212901_100011206558 [1,1,0,0,0,0|2,0,0]=4 9173 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100000765890_100011215641 [1,1,0,0,0,0|1,0,1]=4 9174 B13R0.88 CCOC(=O)CCSCCCC(=O)C 62a_100011215641_100000765890 [1,1,0,0,0,0|1,0,1]=4 9175 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100000765890_100011214892 [1,1,0,0,0,0|1,0,0]=3 9176 B13R0.88 CCOC(=O)CCSCCCC(C)C 62a_100011214892_100000765890 [1,1,0,0,0,0|1,0,0]=3 9177 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_100000765890_200000718107 [1,1,0,0,0,0|1,0,0]=3 9178 B13R0.88 CCOC(=O)CCSCCCC(C)O 62a_200000718107_100000765890 [1,1,0,0,0,0|1,0,0]=3 9179 B13R0.88 CCOC(=O)CCSCCCN(C)C 62a_100000765890_100000757444 [1,1,0,0,0,0|2,0,0]=4 9180 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000211751_100000765890 [1,1,0,0,0,0|2,0,0]=4 9181 B13R0.88 CCOC(=O)CCSCCOC(C)C 62a_100000765890_100000211751 [1,1,0,0,0,0|2,0,0]=4 9182 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000730970_100000765890 [1,1,0,0,0,0|2,0,0]=4 9183 B13R0.88 CCOC(=O)CCSCCSC(C)C 62a_100000765890_100000730970 [1,1,0,0,0,0|2,0,0]=4 9184 B13R0.88 CCOC(=O)CNCCCOC(C)C 2230a_100000737246_100000188475 [1,1,0,0,0,0|2,0,0]=4 9185 B13R0.88 CCOC(=O)CNCCCOC(C)C 34a_100000737246_100000188475 [1,1,0,0,0,0|2,0,0]=4 9186 B13R0.88 CCOC(=O)COCCCCC(C)C 34a_100011214890_100000188475 [1,1,0,0,0,0|1,0,0]=3 9187 B13R0.88 CCOC(=O)COCCCCC(C)C 7a_100011214890_100000188475 [1,1,0,0,0,0|1,0,0]=3 9188 B13R0.88 CCOC(=O)COCCCNC(C)C 2230a_100138425928_100009893628 [1,1,0,0,0,0|2,0,0]=4 9189 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100000182298_100000188475 [1,1,0,0,0,0|2,0,0]=4 9190 B13R0.88 CCOC(=O)COCCCNC(C)C 34a_100138425928_100009893628 [1,1,0,0,0,0|2,0,0]=4 9191 B13R0.88 CCOC(=O)COCCCOC(C)C 34a_100000212225_100009893628 [1,1,0,0,0,0|2,0,0]=4 9192 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100000210206_100009893628 [1,1,0,0,0,0|2,0,0]=4 9193 B13R0.88 CCOC(=O)COCCCSC(C)C 62a_100009893628_100000210206 [1,1,0,0,0,0|2,0,0]=4 9194 B13R0.88 CCOC(=O)COCCNCC(C)C 2230a_100000210953_100000088970 [1,1,0,0,0,0|2,0,0]=4 9195 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100000210953_100000088970 [1,1,0,0,0,0|2,0,0]=4 9196 B13R0.88 CCOC(=O)COCCNCC(C)C 34a_100015185251_100000188475 [1,1,0,0,0,0|2,0,0]=4 9197 B13R0.88 CCOC(=O)COCCNCC(C)O 2230a_100000210904_100000088970 [1,1,0,0,0,0|2,0,0]=4 9198 B13R0.88 CCOC(=O)COCCNCC(C)O 34a_100000210904_100000088970 [1,1,0,0,0,0|2,0,0]=4 9199 B13R0.88 CCOC(=O)COCCOCC(C)Br 34a_100012180447_100000088970 [1,1,0,0,0,0|2,0,0]=4 9200 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000210257_100000088970 [1,1,0,0,0,0|2,0,0]=4 9201 B13R0.88 CCOC(=O)COCCOCC(C)C 34a_100000703358_100000188475 [1,1,0,0,0,0|2,0,0]=4 9202 B13R0.88 CCOC(=O)COCCOCC(C)C 7a_100000703358_100000188475 [1,1,0,0,0,0|2,0,0]=4 9203 B13R0.88 CCOC(=O)COCCOCC(C)F 34a_100015925927_100000088970 [1,1,0,0,0,0|2,0,0]=4 9204 B13R0.88 CCOC(=O)COCCOC[C@@H](C)Cl 34a_100016084084_100000088970 [1,1,0,0,0,0|2,0,0]=4 9205 B13R0.88 CCOC(=O)COCCOC[C@@H](C)N 34a_100000737577_100000088970 [1,1,0,0,0,0|2,0,0]=4 9206 B13R0.88 CCOC(=O)COCCSCC(C)C 34a_200000230437_100000188475 [1,1,0,0,0,0|2,0,0]=4 9207 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000088970_100000210760 [1,1,0,0,0,0|2,0,0]=4 9208 B13R0.88 CCOC(=O)COCCSCC(C)C 62a_100000210624_100000088970 [1,1,0,0,0,0|2,0,0]=4 9209 B13R0.88 CCOC(=O)COCCSCC(C)C 7a_200000230437_100000188475 [1,1,0,0,0,0|2,0,0]=4 9210 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100000088970_100011218427 [1,1,0,0,0,0|2,0,0]=4 9211 B13R0.88 CCOC(=O)COCCSCC(C)O 62a_100011218427_100000088970 [1,1,0,0,0,0|2,0,0]=4 9212 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100000088970_100009817552 [1,1,0,0,0,0|2,0,0]=4 9213 B13R0.88 CCOC(=O)COCCSC[C@@H](C)O 62a_100009817552_100000088970 [1,1,0,0,0,0|2,0,0]=4 9214 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000188475_100000735457 [1,1,0,0,0,0|1,0,1]=4 9215 B13R0.88 CCOC(=O)CSCCCCC(=O)C 62a_100000735457_100000188475 [1,1,0,0,0,0|1,0,1]=4 9216 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100000188475_100011216152 [1,1,0,0,0,0|1,0,0]=3 9217 B13R0.88 CCOC(=O)CSCCCCC(C)C 62a_100011216152_100000188475 [1,1,0,0,0,0|1,0,0]=3 9218 B13R0.88 CCOC(=O)CSCCCCN(C)C 62a_100000188475_100000690147 [1,1,0,0,0,0|2,0,0]=4 9219 B13R0.88 CCOC(=O)CSCCOCC(C)C 7a_200000230590_100000210760 [1,1,0,0,0,0|2,0,0]=4 9220 B13R0.88 CCOC(=O)CSCCOCC(C)O 7a_200000230590_100011218427 [1,1,0,0,0,0|2,0,0]=4 9221 B13R0.88 CCOC(=O)CSCCOC[C@@H](C)O 7a_200000230590_100009817552 [1,1,0,0,0,0|2,0,0]=4 9222 B13R0.88 CCOC(=O)NCCOCCC(C)C 34a_100000158857_100000210312 [1,1,0,0,0,0|2,0,0]=4 9223 B13R0.88 CCOC(=O)NCCOCCC(C)C 7a_100000210254_200011445536 [1,1,0,0,0,0|2,0,0]=4 9224 B13R0.88 CCOC(=O)NCCOCCC(C)O 34a_100000158857_100012276601 [1,1,0,0,0,0|2,0,0]=4 9225 B13R0.88 CCOC(=O)NCCSCCC(C)C 62a_100000210312_200011445536 [1,1,0,0,0,0|2,0,0]=4 9226 B13R0.88 CCOC(=O)NCCSCCC(C)O 62a_100012276601_200011445536 [1,1,0,0,0,0|2,0,0]=4 9227 B13R0.88 CCOC(=O)OCSCCCC(C)C 62a_100011214892_100000075025 [1,1,0,0,0,0|2,0,0]=4 9228 B13R0.88 CCOC(=O)OCSCCCC(C)O 62a_200000718107_100000075025 [1,1,0,0,0,0|2,0,0]=4 9229 B13R0.88 CNNC(=O)CCCCCCC(C)C 22a_100016993582_100000040743 [1,1,0,0,0,0|2,0,0]=4 9230 B13R0.175 CCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210211 [1,1,0,0,0,0|1,0,1]=4 9231 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210183_100011215271 [1,1,0,0,0,0|0,0,1]=3 9232 B13R0.175 CCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210211 [1,1,0,0,0,0|0,0,1]=3 9233 B13R0.175 CCCCC(=O)CCNC(=O)OCC 1458a_100000210183_200011445536 [1,1,0,0,0,0|1,0,1]=4 9234 B13R0.175 CCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100000210183 [1,1,0,0,0,0|1,0,1]=4 9235 B13R0.175 CCCCC(C)COCC(=O)CCC 7a_100011995851_100000747444 [1,1,0,0,0,0|2,0,0]=4 9236 B13R0.175 CCCCC(C)COCC(=O)NCC 34a_100011995851_100000183381 [1,1,0,0,0,0|2,0,0]=4 9237 B13R0.175 CCCCC(C)COCC(=O)NCC 7a_100011995851_100000183381 [1,1,0,0,0,0|2,0,0]=4 9238 B13R0.175 CCCCC(C)COCC(=O)OCC 34a_100011995851_100000188475 [1,1,0,0,0,0|1,0,0]=3 9239 B13R0.175 CCCCC(C)COCC(=O)OCC 7a_100011995851_100000188475 [1,1,0,0,0,0|1,0,0]=3 9240 B13R0.175 CCCCC(C)NCCC(=O)NCC 2230a_100000126638_100000737597 [1,1,0,0,0,0|2,0,0]=4 9241 B13R0.175 CCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210087 [1,1,0,0,0,0|2,0,0]=4 9242 B13R0.175 CCCCC(C)NCCC(=O)NCC 34a_100025743525_200011215066 [1,1,0,0,0,0|2,0,0]=4 9243 B13R0.175 CCCCC(C)NCCC(=O)OCC 2230a_100000126638_100011206558 [1,1,0,0,0,0|1,0,0]=3 9244 B13R0.175 CCCCC(C)OCCC(=O)NCC 7a_100000687866_100000737597 [1,1,0,0,0,0|2,0,0]=4 9245 B13R0.175 CCCCC(C)OCCC(=O)OCC 34a_100000687866_100000765890 [1,1,0,0,0,0|1,0,0]=3 9246 B13R0.175 CCCCC(C)OCCC(=O)OCC 7a_100000687866_100011206558 [1,1,0,0,0,0|1,0,0]=3 9247 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_100000737597_200011215066 [1,1,0,0,0,0|2,0,0]=4 9248 B13R0.175 CCCCC(C)SCCC(=O)NCC 62a_200011215066_100000737597 [1,1,0,0,0,0|2,0,0]=4 9249 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_100000765890_200011215066 [1,1,0,0,0,0|1,0,0]=3 9250 B13R0.175 CCCCC(C)SCCC(=O)OCC 62a_200011215066_100000765890 [1,1,0,0,0,0|1,0,0]=3 9251 B13R0.175 CCCCC(C)SCOC(=O)OCC 62a_200011215066_100000075025 [1,1,0,0,0,0|2,0,0]=4 9252 B13R0.175 CCCCN(C)CCCC(=O)OCC 2230a_100000207549_100009991533 [1,1,0,0,0,0|1,0,0]=3 9253 B13R0.175 CCCCN(C)CCCC(=O)OCC 269982a_100000207549_100009991533 [1,1,0,0,0,0|1,0,0]=3 9254 B13R0.175 CCCCN(C)CCNC(=O)OCC 269982a_100000207549_200011445536 [1,1,0,0,0,0|2,0,0]=4 9255 B13R0.175 CCCC[C@H](N)COCC(=O)NCC 34a_100011934283_100000183381 [1,1,0,0,0,0|2,0,0]=4 9256 B13R0.175 CCCC[C@H](N)COCC(=O)OCC 34a_100011934283_100000188475 [1,1,0,0,0,0|1,0,0]=3 9257 B13R0.175 CCCNC(=O)CCCC(=O)OCC 11a_100020643023_100000210991 [1,1,0,0,0,0|1,0,1]=4 9258 B13R0.175 CCCNC(=O)CCCC(=O)OCC 1626a_100020643023_100000210991 [1,1,0,0,0,0|1,0,1]=4 9259 B13R0.175 CCCNC(=O)CCCC(=O)OCC 240690a_100020643023_100000210991 [1,1,0,0,0,0|1,0,1]=4 9260 B13R0.175 CCCNC(=O)CCCC(=O)OCC 527a_100020643023_100000210991 [1,1,0,0,0,0|1,0,1]=4 9261 B13R0.175 CCCOC(C)CNCC(=O)OCC 2230a_100015185124_100000188475 [1,1,0,0,0,0|2,0,0]=4 9262 B13R0.175 CCCOC(C)CNCC(=O)OCC 34a_100015185124_100000188475 [1,1,0,0,0,0|2,0,0]=4 9263 B13R0.175 CCOC(=O)CCCC(=O)CCCF 1458a_100000210991_100011934791 [1,1,0,0,0,0|1,0,1]=4 9264 B13R0.175 CCOC(=O)CCCC(=O)CCCO 1458a_100000210991_100011215043 [1,1,0,0,0,0|1,0,1]=4 9265 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000210991_100000233755 [1,1,0,0,0,0|1,0,1]=4 9266 B13R0.175 CCOC(=O)CCCC(=O)CCOC 1458a_100000749529_100011215271 [1,1,0,0,0,0|1,0,1]=4 9267 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000174002_100011215271 [1,1,0,0,0,0|1,0,1]=4 9268 B13R0.175 CCOC(=O)CCCC(=O)CCSC 1458a_100000210991_100000751147 [1,1,0,0,0,0|1,0,1]=4 9269 B13R0.175 CCOC(=O)CCCC(=O)CSCC 1458a_100000230394_100011215271 [1,1,0,0,0,0|1,0,1]=4 9270 B13R0.175 CCOC(=O)CCCN(C)CCCO 2230a_100000213112_100009991533 [1,1,0,0,0,0|2,0,0]=4 9271 B13R0.175 CCOC(=O)CCCN(C)CCCO 269982a_100000213112_100009991533 [1,1,0,0,0,0|2,0,0]=4 9272 B13R0.175 CCOC(=O)CCCN(C)CCOC 2230a_100000743101_100009991533 [1,1,0,0,0,0|2,0,0]=4 9273 B13R0.175 CCOC(=O)CCCN(C)CCOC 269982a_100000743101_100009991533 [1,1,0,0,0,0|2,0,0]=4 9274 B13R0.175 CCOC(=O)CCCN(C)CCSC 2230a_100000686725_100009991533 [1,1,0,0,0,0|2,0,0]=4 9275 B13R0.175 CCOC(=O)CCCN(C)CCSC 269982a_100000686725_100009991533 [1,1,0,0,0,0|2,0,0]=4 9276 B13R0.175 CCOC(=O)CCOC(C)CCCCl 34a_200000718107_100000765890 [1,1,0,0,0,0|2,0,0]=4 9277 B13R0.175 CCOC(=O)CCOC(C)CCCCl 7a_200000718107_100011206558 [1,1,0,0,0,0|2,0,0]=4 9278 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 2230a_100160569302_100000188475 [1,1,0,0,0,0|2,0,0]=4 9279 B13R0.175 CCOC(=O)CNC[C@H](C)CCCO 34a_100160569302_100000188475 [1,1,0,0,0,0|2,0,0]=4 9280 B13R0.175 CCOC(=O)COC[C@@H](N)CCSC 34a_100011827619_100000188475 [1,1,0,0,0,0|2,0,0]=4 9281 B13R0.175 CCOCC(=O)CCCC(=O)OCC 1458a_100000211967_100011215271 [1,1,0,0,0,0|1,0,1]=4 9282 B13R0.175 CCOCC(C)OCCC(=O)OCC 34a_100000718985_100000765890 [1,1,0,0,0,0|2,0,0]=4 9283 B13R0.175 CCOCC(C)OCCC(=O)OCC 7a_100000718985_100011206558 [1,1,0,0,0,0|2,0,0]=4 9284 B13R0.175 CCOCC(O)CNCC(=O)OCC 2230a_102515437182_100000188475 [1,1,0,0,0,0|2,0,0]=4 9285 B13R0.175 CCOCC(O)CNCC(=O)OCC 34a_102515437182_100000188475 [1,1,0,0,0,0|2,0,0]=4 9286 B13R0.193 CCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210326 [1,1,0,0,0,0|1,0,1]=4 9287 B13R0.193 CCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210326 [1,1,0,0,0,0|0,0,1]=3 9288 B13R0.193 CCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210326 [1,1,0,0,0,0|1,0,1]=4 9289 B13R0.193 CCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000212188 [1,1,0,0,0,0|1,0,1]=4 9290 B13R0.193 CCCCCC(C)CCC(=O)CCC 1458a_100000034243_100000210303 [1,1,0,0,0,0|1,0,0]=3 9291 B13R0.193 CCCCCC(C)CCC(=O)CCF 1458a_100000034243_100011217306 [1,1,0,0,0,0|2,0,0]=4 9292 B13R0.193 CCCCCC(C)CCC(=O)CCO 1458a_100000034243_100000211926 [1,1,0,0,0,0|2,0,0]=4 9293 B13R0.193 CCCCCC(C)CCC(=O)NCC 11a_100015525214_100000034243 [1,1,0,0,0,0|1,0,0]=3 9294 B13R0.193 CCCCCC(C)CCC(=O)NCC 240690a_100015525214_100000034243 [1,1,0,0,0,0|1,0,0]=3 9295 B13R0.193 CCCCCC(C)CCC(=O)NCC 527a_100015525214_100000034243 [1,1,0,0,0,0|1,0,0]=3 9296 B13R0.193 CCCCCC(C)CCC(=O)NNC 22a_100016993582_100000034243 [1,1,0,0,0,0|2,0,0]=4 9297 B13R0.193 CCCCCC(C)NCC(=O)CCC 2230a_100000211957_100000747444 [1,1,0,0,0,0|2,0,0]=4 9298 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100000211957_100000183381 [1,1,0,0,0,0|2,0,0]=4 9299 B13R0.193 CCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218191 [1,1,0,0,0,0|2,0,0]=4 9300 B13R0.193 CCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000211708 [1,1,0,0,0,0|2,0,0]=4 9301 B13R0.193 CCCCCC(C)NCC(=O)OCC 2230a_100000211957_100000188475 [1,1,0,0,0,0|1,0,0]=3 9302 B13R0.193 CCCCCC(C)OCC(=O)CCC 7a_100011215632_100000747444 [1,1,0,0,0,0|2,0,0]=4 9303 B13R0.193 CCCCCC(C)OCC(=O)NCC 34a_100011215632_100000183381 [1,1,0,0,0,0|2,0,0]=4 9304 B13R0.193 CCCCCC(C)OCC(=O)NCC 7a_100011215632_100000183381 [1,1,0,0,0,0|2,0,0]=4 9305 B13R0.193 CCCCCC(C)OCC(=O)OCC 34a_100011215632_100000188475 [1,1,0,0,0,0|1,0,0]=3 9306 B13R0.193 CCCCCC(C)OCC(=O)OCC 7a_100011215632_100000188475 [1,1,0,0,0,0|1,0,0]=3 9307 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218191 [1,1,0,0,0,0|2,0,0]=4 9308 B13R0.193 CCCCCC(C)SCC(=O)CCC 62a_200011218191_100000747444 [1,1,0,0,0,0|2,0,0]=4 9309 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218191 [1,1,0,0,0,0|2,0,0]=4 9310 B13R0.193 CCCCCC(C)SCC(=O)NCC 62a_200011218191_100000183381 [1,1,0,0,0,0|2,0,0]=4 9311 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218191 [1,1,0,0,0,0|1,0,0]=3 9312 B13R0.193 CCCCCC(C)SCC(=O)OCC 62a_200011218191_100000188475 [1,1,0,0,0,0|1,0,0]=3 9313 B13R0.193 CCCCCN(C)CCC(=O)CCC 1458a_100016987678_100000210303 [1,1,0,0,0,0|2,0,0]=4 9314 B13R0.193 CCCCCN(C)CCC(=O)NCC 2230a_100000223495_100000737597 [1,1,0,0,0,0|2,0,0]=4 9315 B13R0.193 CCCCCN(C)CCC(=O)NCC 240690a_100015525214_100016987678 [1,1,0,0,0,0|2,0,0]=4 9316 B13R0.193 CCCCCN(C)CCC(=O)NCC 269982a_100000223495_100000737597 [1,1,0,0,0,0|2,0,0]=4 9317 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000223495_100011206558 [1,1,0,0,0,0|1,0,0]=3 9318 B13R0.193 CCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210326 [1,1,0,0,0,0|1,0,0]=3 9319 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000223495_100011206558 [1,1,0,0,0,0|1,0,0]=3 9320 B13R0.193 CCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210215 [1,1,0,0,0,0|1,0,0]=3 9321 B13R0.193 CCCCNC(=O)CCC(=O)OCC 11a_100000102301_100000183558 [1,1,0,0,0,0|1,0,1]=4 9322 B13R0.193 CCCCNC(=O)CCC(=O)OCC 1626a_100000102301_100000183558 [1,1,0,0,0,0|1,0,1]=4 9323 B13R0.193 CCCCNC(=O)CCC(=O)OCC 240690a_100000102301_100000183558 [1,1,0,0,0,0|1,0,1]=4 9324 B13R0.193 CCCCNC(C)CCC(=O)OCC 2230a_100000102301_100000748298 [1,1,0,0,0,0|1,0,0]=3 9325 B13R0.193 CCCCNC(C)CCC(=O)OCC 7a_106832991798_100000748298 [1,1,0,0,0,0|1,0,0]=3 9326 B13R0.193 CCCCOC(C)CCC(=O)OCC 34a_100000210227_100000748298 [1,1,0,0,0,0|1,0,0]=3 9327 B13R0.193 CCCCOC(C)CCC(=O)OCC 7a_100000210227_100000748298 [1,1,0,0,0,0|1,0,0]=3 9328 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000210211_100000748298 [1,1,0,0,0,0|1,0,0]=3 9329 B13R0.193 CCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210210 [1,1,0,0,0,0|1,0,0]=3 9330 B13R0.193 CCOC(=O)CCC(=O)CCCCF 1458a_100000183558_100000729493 [1,1,0,0,0,0|1,0,1]=4 9331 B13R0.193 CCOC(=O)CCC(=O)CCCCO 1458a_100000183558_100000210776 [1,1,0,0,0,0|1,0,1]=4 9332 B13R0.193 CCOC(=O)CCC(=O)CCCOC 1458a_100000183558_100000740836 [1,1,0,0,0,0|1,0,1]=4 9333 B13R0.193 CCOC(=O)CCC(=O)CCSCC 1458a_100000183558_100000757381 [1,1,0,0,0,0|1,0,1]=4 9334 B13R0.193 CCOC(=O)CCC(C)NCCCF 2230a_100015189416_100000748298 [1,1,0,0,0,0|2,0,0]=4 9335 B13R0.193 CCOC(=O)CCC(C)NCCCF 34a_100015189416_100000748298 [1,1,0,0,0,0|2,0,0]=4 9336 B13R0.193 CCOC(=O)CCC(C)NCCOC 2230a_100000209980_100000748298 [1,1,0,0,0,0|2,0,0]=4 9337 B13R0.193 CCOC(=O)CCC(C)NCCSC 2230a_100020590264_100000748298 [1,1,0,0,0,0|2,0,0]=4 9338 B13R0.193 CCOC(=O)CCC(C)OCCCBr 34a_100011217188_100000748298 [1,1,0,0,0,0|2,0,0]=4 9339 B13R0.193 CCOC(=O)CCC(C)OCCCCl 34a_100000230001_100000748298 [1,1,0,0,0,0|2,0,0]=4 9340 B13R0.193 CCOC(=O)CCC(C)OCCCF 34a_100000759539_100000748298 [1,1,0,0,0,0|2,0,0]=4 9341 B13R0.193 CCOC(=O)CCC(C)OCCCN 34a_100000182051_100000748298 [1,1,0,0,0,0|2,0,0]=4 9342 B13R0.193 CCOC(=O)CCC(C)OCCOC 34a_100000210237_100000748298 [1,1,0,0,0,0|2,0,0]=4 9343 B13R0.193 CCOC(=O)CCC(C)OCCSC 34a_100000230434_100000748298 [1,1,0,0,0,0|2,0,0]=4 9344 B13R0.193 CCOC(=O)CCC(C)OCCSC 7a_100000230434_100000748298 [1,1,0,0,0,0|2,0,0]=4 9345 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100000748298_100011934791 [1,1,0,0,0,0|2,0,0]=4 9346 B13R0.193 CCOC(=O)CCC(C)SCCCF 62a_100011934791_100000748298 [1,1,0,0,0,0|2,0,0]=4 9347 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100000748298_100011215043 [1,1,0,0,0,0|2,0,0]=4 9348 B13R0.193 CCOC(=O)CCC(C)SCCCO 62a_100011215043_100000748298 [1,1,0,0,0,0|2,0,0]=4 9349 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000233755_100000748298 [1,1,0,0,0,0|2,0,0]=4 9350 B13R0.193 CCOC(=O)CCC(C)SCCOC 62a_100000748298_100000233755 [1,1,0,0,0,0|2,0,0]=4 9351 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000212216_100000748298 [1,1,0,0,0,0|2,0,0]=4 9352 B13R0.193 CCOC(=O)CCC(C)SCCSC 62a_100000748298_100000751147 [1,1,0,0,0,0|2,0,0]=4 9353 B13R0.193 CCOC(=O)CCN(C)CCCCF 2230a_100000745921_100000729493 [1,1,0,0,0,0|2,0,0]=4 9354 B13R0.193 CCOC(=O)CCN(C)CCCCF 269982a_100000745921_100000729493 [1,1,0,0,0,0|2,0,0]=4 9355 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000717598_100011206558 [1,1,0,0,0,0|2,0,0]=4 9356 B13R0.193 CCOC(=O)CCN(C)CCCCO 2230a_100000745921_100000210776 [1,1,0,0,0,0|2,0,0]=4 9357 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000717598_100011206558 [1,1,0,0,0,0|2,0,0]=4 9358 B13R0.193 CCOC(=O)CCN(C)CCCCO 269982a_100000745921_100000210776 [1,1,0,0,0,0|2,0,0]=4 9359 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000224831_100011206558 [1,1,0,0,0,0|2,0,0]=4 9360 B13R0.193 CCOC(=O)CCN(C)CCCOC 2230a_100000745921_100000740836 [1,1,0,0,0,0|2,0,0]=4 9361 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000224831_100011206558 [1,1,0,0,0,0|2,0,0]=4 9362 B13R0.193 CCOC(=O)CCN(C)CCCOC 269982a_100000745921_100000740836 [1,1,0,0,0,0|2,0,0]=4 9363 B13R0.193 CCOC(=O)CCN(C)CCSCC 2230a_100000745921_100000757381 [1,1,0,0,0,0|2,0,0]=4 9364 B13R0.193 CCOC(=O)CCN(C)CCSCC 269982a_100000745921_100000757381 [1,1,0,0,0,0|2,0,0]=4 9365 B13R0.193 CCOC(=O)COC(C)CCCOC 34a_200011539412_100000188475 [1,1,0,0,0,0|2,0,0]=4 9366 B13R0.193 CCOC(=O)COC(C)CCCOC 7a_200011539412_100000188475 [1,1,0,0,0,0|2,0,0]=4 9367 B13R0.193 CCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100011215890 [1,1,0,0,0,0|1,0,1]=4 9368 B13R0.193 CCOCCN(C)CCC(=O)OCC 2230a_100000745921_100011215890 [1,1,0,0,0,0|2,0,0]=4 9369 B13R0.193 CCOCCN(C)CCC(=O)OCC 269982a_100000745921_100011215890 [1,1,0,0,0,0|2,0,0]=4 9370 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000739092_100000748298 [1,1,0,0,0,0|2,0,0]=4 9371 B13R0.193 CCOCSC(C)CCC(=O)OCC 62a_100000748298_100000739092 [1,1,0,0,0,0|2,0,0]=4 9372 B13R0.275 C=C(COCCCCC)C(=O)OCC 34a_100000210253_100000755967 [1,1,0,0,0,0|1,0,1]=4 9373 B13R0.275 C=C(COCCCCC)C(=O)OCC 7a_100000210253_100000755967 [1,1,0,0,0,0|1,0,1]=4 9374 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000210326_100000755967 [1,1,0,0,0,0|1,0,1]=4 9375 B13R0.275 C=C(CSCCCCC)C(=O)OCC 62a_100000755967_100000210326 [1,1,0,0,0,0|1,0,1]=4 9376 B13R0.275 CC#CC(=O)C(C)CCCCCCC 1458a_100000763181_200011218727 [1,1,0,0,0,0|1,0,1]=4 9377 B13R0.275 CC=CC(=O)C(C)CCCCCCC 1458a_100000210699_200011218727 [1,1,0,0,0,0|1,0,1]=4 9378 B13R0.275 CCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210614 [1,1,0,0,0,0|1,0,1]=4 9379 B13R0.275 CCCCCCCC(C)C(=O)CCC 1458a_100000211992_200011218727 [1,1,0,0,0,0|1,0,0]=3 9380 B13R0.275 CCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011218727 [1,1,0,0,0,0|2,0,0]=4 9381 B13R0.275 CCCCCCCC(C)C(=O)COC 1458a_100000210968_200011218727 [1,1,0,0,0,0|2,0,0]=4 9382 B13R0.275 CCCCCCCC(C)C(=O)CSC 1458a_100000184570_200011218727 [1,1,0,0,0,0|2,0,0]=4 9383 B13R0.275 CCCCCCCN(C)C(=O)CCC 11a_100000228206_100000211992 [1,1,0,0,0,0|2,0,0]=4 9384 B13R0.275 CCCCCCCN(C)C(=O)CCC 1626a_100000228206_100000211992 [1,1,0,0,0,0|2,0,0]=4 9385 B13R0.275 CCCCCCCN(C)C(=O)CCC 240690a_100000228206_100000211992 [1,1,0,0,0,0|2,0,0]=4 9386 B13R0.275 CCCCCCCN(C)C(=O)CCC 527a_100000228206_100000211992 [1,1,0,0,0,0|2,0,0]=4 9387 B13R0.275 CCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000228206 [1,1,0,0,0,0|2,0,0]=4 9388 B13R0.275 CCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000228206 [1,1,0,0,0,0|2,0,0]=4 9389 B13R0.275 CCCCCCNC(=O)C(=O)OCC 11a_100000210581_100014798877 [1,1,0,0,0,0|1,0,1]=4 9390 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1626a_100000210581_100014798877 [1,1,0,0,0,0|1,0,1]=4 9391 B13R0.275 CCCCCCNC(=O)C(=O)OCC 240690a_100000210581_100014798877 [1,1,0,0,0,0|1,0,1]=4 9392 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000210581_100000230173 [1,1,0,0,0,0|2,0,0]=4 9393 B13R0.275 CCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210314 [1,1,0,0,0,0|2,0,0]=4 9394 B13R0.275 CCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210314 [1,1,0,0,0,0|2,0,0]=4 9395 B13R0.275 CCCCCCNC(C)C(=O)OCC 2230a_100000210581_100011215307 [1,1,0,0,0,0|1,0,0]=3 9396 B13R0.275 CCCCCCNC(F)C(=O)OCC 2230a_100000210581_100000760018 [1,1,0,0,0,0|1,0,0]=3 9397 B13R0.275 CCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210314 [1,1,0,0,0,0|1,1,0]=4 9398 B13R0.275 CCCCCCOC(C)C(=O)NCC 34a_100000210259_100000230173 [1,1,0,0,0,0|2,0,0]=4 9399 B13R0.275 CCCCCCOC(C)C(=O)NCC 7a_100000210259_100000230173 [1,1,0,0,0,0|2,0,0]=4 9400 B13R0.275 CCCCCCOC(C)C(=O)OCC 34a_100000210259_100011216346 [1,1,0,0,0,0|1,0,0]=3 9401 B13R0.275 CCCCCCOC(C)C(=O)OCC 7a_100000210259_100011216346 [1,1,0,0,0,0|1,0,0]=3 9402 B13R0.275 CCCCCCOC(F)C(=O)OCC 34a_100000210259_100000760018 [1,1,0,0,0,0|1,0,0]=3 9403 B13R0.275 CCCCCCOC(F)C(=O)OCC 7a_100000210259_100000040065 [1,1,0,0,0,0|1,0,0]=3 9404 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210314 [1,1,0,0,0,0|1,0,0]=3 9405 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000210314_100000230173 [1,1,0,0,0,0|2,0,0]=4 9406 B13R0.275 CCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210757 [1,1,0,0,0,0|2,0,0]=4 9407 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100000210314_100011216346 [1,1,0,0,0,0|1,0,0]=3 9408 B13R0.275 CCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210757 [1,1,0,0,0,0|1,0,0]=3 9409 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000210314_100000760018 [1,1,0,0,0,0|1,0,0]=3 9410 B13R0.275 CCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210757 [1,1,0,0,0,0|1,0,0]=3 9411 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000210326_100000211299 [1,1,0,0,0,0|1,0,1]=4 9412 B13R0.275 CCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210326 [1,1,0,0,0,0|1,0,1]=4 9413 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011216346_100011995733 [1,1,0,0,0,0|2,0,0]=4 9414 B13R0.275 CCCCOCSC(C)C(=O)OCC 62a_100011995733_100011216346 [1,1,0,0,0,0|2,0,0]=4 9415 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100000760018_100011995733 [1,1,0,0,0,0|2,0,0]=4 9416 B13R0.275 CCCCOCSC(F)C(=O)OCC 62a_100011995733_100000760018 [1,1,0,0,0,0|2,0,0]=4 9417 B13R0.275 CCCOCCNC(C)C(=O)OCC 2230a_100161115042_100011215307 [1,1,0,0,0,0|2,0,0]=4 9418 B13R0.275 CCCOCCNC(C)C(=O)OCC 34a_100161115042_100011216346 [1,1,0,0,0,0|2,0,0]=4 9419 B13R0.275 CCCOCCNC(F)C(=O)OCC 2230a_100161115042_100000760018 [1,1,0,0,0,0|2,0,0]=4 9420 B13R0.275 CCCOCCNC(F)C(=O)OCC 34a_100161115042_100000760018 [1,1,0,0,0,0|2,0,0]=4 9421 B13R0.275 CCCOCCOC(C)C(=O)OCC 34a_100000752267_100011216346 [1,1,0,0,0,0|2,0,0]=4 9422 B13R0.275 CCCOCCOC(C)C(=O)OCC 7a_100000752267_100011216346 [1,1,0,0,0,0|2,0,0]=4 9423 B13R0.275 CCCOCCOC(F)C(=O)OCC 34a_100000752267_100000760018 [1,1,0,0,0,0|2,0,0]=4 9424 B13R0.275 CCCOCCOC(F)C(=O)OCC 7a_100000752267_100000040065 [1,1,0,0,0,0|2,0,0]=4 9425 B13R0.275 CCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215938 [1,1,0,0,0,0|2,0,0]=4 9426 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011215938_100011216346 [1,1,0,0,0,0|2,0,0]=4 9427 B13R0.275 CCCOCCSC(C)C(=O)OCC 62a_100011216346_100011215938 [1,1,0,0,0,0|2,0,0]=4 9428 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100000760018_100011215938 [1,1,0,0,0,0|2,0,0]=4 9429 B13R0.275 CCCOCCSC(F)C(=O)OCC 62a_100011215938_100000760018 [1,1,0,0,0,0|2,0,0]=4 9430 B13R0.275 CCCSCCNC(C)C(=O)OCC 2230a_100020603323_100011215307 [1,1,0,0,0,0|2,0,0]=4 9431 B13R0.275 CCCSCCNC(F)C(=O)OCC 2230a_100020603323_100000760018 [1,1,0,0,0,0|2,0,0]=4 9432 B13R0.275 CCCSCCOC(C)C(=O)OCC 34a_200000230433_100011216346 [1,1,0,0,0,0|2,0,0]=4 9433 B13R0.275 CCCSCCOC(C)C(=O)OCC 7a_200000230433_100011216346 [1,1,0,0,0,0|2,0,0]=4 9434 B13R0.275 CCCSCCOC(F)C(=O)OCC 34a_200000230433_100000760018 [1,1,0,0,0,0|2,0,0]=4 9435 B13R0.275 CCCSCCOC(F)C(=O)OCC 7a_200000230433_100000040065 [1,1,0,0,0,0|2,0,0]=4 9436 B13R0.275 CCOC(=O)C(=O)CCCCCNC 2230a_106832991635_100000068741 [1,1,0,0,0,0|1,0,1]=4 9437 B13R0.275 CCOC(=O)C(=O)CCCCCSC 62a_200000210301_100000068741 [1,1,0,0,0,0|1,0,1]=4 9438 B13R0.275 CCOC(=O)C(=O)CCCCCS[13CH3] 62a_200025704644_100000068741 [1,1,0,0,0,0|1,0,1]=4 9439 B13R0.275 CCOC(=O)C(C)NCCCCCO 2230a_100000762737_100011215307 [1,1,0,0,0,0|2,0,0]=4 9440 B13R0.275 CCOC(=O)C(C)NCCCCCO 34a_100000762737_100011216346 [1,1,0,0,0,0|2,0,0]=4 9441 B13R0.275 CCOC(=O)C(C)OCCCCCBr 34a_100000746331_100011216346 [1,1,0,0,0,0|2,0,0]=4 9442 B13R0.275 CCOC(=O)C(C)OCCCCCBr 7a_100000746331_100011216346 [1,1,0,0,0,0|2,0,0]=4 9443 B13R0.275 CCOC(=O)C(C)OCCCCCCl 34a_100000746330_100011216346 [1,1,0,0,0,0|2,0,0]=4 9444 B13R0.275 CCOC(=O)C(C)OCCCCCCl 7a_100000746330_100011216346 [1,1,0,0,0,0|2,0,0]=4 9445 B13R0.275 CCOC(=O)C(C)OCCCCCI 34a_200012148887_100011216346 [1,1,0,0,0,0|2,0,0]=4 9446 B13R0.275 CCOC(=O)C(C)OCCCCCI 7a_200012148887_100011216346 [1,1,0,0,0,0|2,0,0]=4 9447 B13R0.275 CCOC(=O)C(C)OCCCCCN 34a_100000762737_100011216346 [1,1,0,0,0,0|2,0,0]=4 9448 B13R0.275 CCOC(=O)C(C)OCCCCOC 34a_100000740925_100011216346 [1,1,0,0,0,0|2,0,0]=4 9449 B13R0.275 CCOC(=O)C(C)OCCCCSC 34a_100011217163_100011216346 [1,1,0,0,0,0|2,0,0]=4 9450 B13R0.275 CCOC(=O)C(C)OCCCCSC 7a_100011217163_100011216346 [1,1,0,0,0,0|2,0,0]=4 9451 B13R0.275 CCOC(=O)C(C)OCCCSCC 34a_100011216438_100011216346 [1,1,0,0,0,0|2,0,0]=4 9452 B13R0.275 CCOC(=O)C(C)OCCCSCC 7a_100011216438_100011216346 [1,1,0,0,0,0|2,0,0]=4 9453 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100000729378_100011216346 [1,1,0,0,0,0|2,0,0]=4 9454 B13R0.275 CCOC(=O)C(C)SCCCCCF 62a_100011216346_100000729378 [1,1,0,0,0,0|2,0,0]=4 9455 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100000746330_100011216346 [1,1,0,0,0,0|2,0,0]=4 9456 B13R0.275 CCOC(=O)C(C)SCCCCCO 62a_100011216346_100000746330 [1,1,0,0,0,0|2,0,0]=4 9457 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100000730899_100011216346 [1,1,0,0,0,0|2,0,0]=4 9458 B13R0.275 CCOC(=O)C(C)SCCCCOC 62a_100011216346_100000730899 [1,1,0,0,0,0|2,0,0]=4 9459 B13R0.275 CCOC(=O)C(F)NCCCCCO 2230a_100000762737_100000760018 [1,1,0,0,0,0|2,0,0]=4 9460 B13R0.275 CCOC(=O)C(F)NCCCCCO 34a_100000762737_100000760018 [1,1,0,0,0,0|2,0,0]=4 9461 B13R0.275 CCOC(=O)C(F)OCCCCCBr 34a_100000746331_100000760018 [1,1,0,0,0,0|2,0,0]=4 9462 B13R0.275 CCOC(=O)C(F)OCCCCCBr 7a_100000746331_100000040065 [1,1,0,0,0,0|2,0,0]=4 9463 B13R0.275 CCOC(=O)C(F)OCCCCCCl 34a_100000746330_100000760018 [1,1,0,0,0,0|2,0,0]=4 9464 B13R0.275 CCOC(=O)C(F)OCCCCCCl 7a_100000746330_100000040065 [1,1,0,0,0,0|2,0,0]=4 9465 B13R0.275 CCOC(=O)C(F)OCCCCCI 34a_200012148887_100000760018 [1,1,0,0,0,0|2,0,0]=4 9466 B13R0.275 CCOC(=O)C(F)OCCCCCI 7a_200012148887_100000040065 [1,1,0,0,0,0|2,0,0]=4 9467 B13R0.275 CCOC(=O)C(F)OCCCCCN 34a_100000762737_100000760018 [1,1,0,0,0,0|2,0,0]=4 9468 B13R0.275 CCOC(=O)C(F)OCCCCOC 34a_100000740925_100000760018 [1,1,0,0,0,0|2,0,0]=4 9469 B13R0.275 CCOC(=O)C(F)OCCCCSC 34a_100011217163_100000760018 [1,1,0,0,0,0|2,0,0]=4 9470 B13R0.275 CCOC(=O)C(F)OCCCCSC 7a_100011217163_100000040065 [1,1,0,0,0,0|2,0,0]=4 9471 B13R0.275 CCOC(=O)C(F)OCCCSCC 34a_100011216438_100000760018 [1,1,0,0,0,0|2,0,0]=4 9472 B13R0.275 CCOC(=O)C(F)OCCCSCC 7a_100011216438_100000040065 [1,1,0,0,0,0|2,0,0]=4 9473 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000729378_100000760018 [1,1,0,0,0,0|2,0,0]=4 9474 B13R0.275 CCOC(=O)C(F)SCCCCCF 62a_100000760018_100000729378 [1,1,0,0,0,0|2,0,0]=4 9475 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000746330_100000760018 [1,1,0,0,0,0|2,0,0]=4 9476 B13R0.275 CCOC(=O)C(F)SCCCCCO 62a_100000760018_100000746330 [1,1,0,0,0,0|2,0,0]=4 9477 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000730899_100000760018 [1,1,0,0,0,0|2,0,0]=4 9478 B13R0.275 CCOC(=O)C(F)SCCCCOC 62a_100000760018_100000730899 [1,1,0,0,0,0|2,0,0]=4 9479 B13R0.275 CCOC(=O)[C@H](C)OCCCCCF 7a_100000751109_100000729378 [1,1,0,0,0,0|2,0,0]=4 9480 B13R0.275 CCOC(=O)[C@H](C)OCCCCCO 7a_100000751109_100000746330 [1,1,0,0,0,0|2,0,0]=4 9481 B13R0.275 CCOC(=O)[C@H](C)OCCCCOC 7a_100000751109_100000730899 [1,1,0,0,0,0|2,0,0]=4 9482 B13R0.275 CCOCCCNC(C)C(=O)OCC 2230a_100000210961_100011215307 [1,1,0,0,0,0|2,0,0]=4 9483 B13R0.275 CCOCCCNC(C)C(=O)OCC 34a_100000210961_100011216346 [1,1,0,0,0,0|2,0,0]=4 9484 B13R0.275 CCOCCCNC(F)C(=O)OCC 2230a_100000210961_100000760018 [1,1,0,0,0,0|2,0,0]=4 9485 B13R0.275 CCOCCCNC(F)C(=O)OCC 34a_100000210961_100000760018 [1,1,0,0,0,0|2,0,0]=4 9486 B13R0.275 CCOCCCOC(C)C(=O)OCC 34a_100000757476_100011216346 [1,1,0,0,0,0|2,0,0]=4 9487 B13R0.275 CCOCCCOC(C)C(=O)OCC 7a_100000757476_100011216346 [1,1,0,0,0,0|2,0,0]=4 9488 B13R0.275 CCOCCCOC(F)C(=O)OCC 34a_100000757476_100000760018 [1,1,0,0,0,0|2,0,0]=4 9489 B13R0.275 CCOCCCOC(F)C(=O)OCC 7a_100000757476_100000040065 [1,1,0,0,0,0|2,0,0]=4 9490 B13R0.275 CCOCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012232248 [1,1,0,0,0,0|2,0,0]=4 9491 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100011216346_100012232248 [1,1,0,0,0,0|2,0,0]=4 9492 B13R0.275 CCOCCCSC(C)C(=O)OCC 62a_100012232248_100011216346 [1,1,0,0,0,0|2,0,0]=4 9493 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100000760018_100012232248 [1,1,0,0,0,0|2,0,0]=4 9494 B13R0.275 CCOCCCSC(F)C(=O)OCC 62a_100012232248_100000760018 [1,1,0,0,0,0|2,0,0]=4 9495 B13R0.282 CCCCCCCCC(CC)OCC 34a_200011216270_100000210202 [1,1,0,0,0,0|1,0,1]=4 9496 B13R0.282 CCCCCCCCC(CC)OCC 7a_200011216270_100000210202 [1,1,0,0,0,0|1,0,1]=4 9497 B13R0.330 CCCCCCC(=O)CC(=O)CCC 1458a_100102632555_100000747444 [1,1,0,0,0,0|1,0,1]=4 9498 B13R0.330 CCCCCCC(=O)CC(=O)NCC 1458a_100102632555_100000183381 [1,1,0,0,0,0|1,0,1]=4 9499 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210757 [1,1,0,0,0,0|0,0,1]=3 9500 B13R0.330 CCCCCCC(=O)CC(=O)OCC 1458a_100102632555_100000188475 [1,1,0,0,0,0|0,0,1]=3 9501 B13R0.330 CCCCCCC(C)NC(=O)CCC 11a_100000210919_100000211992 [1,1,0,0,0,0|2,0,0]=4 9502 B13R0.330 CCCCCCC(C)NC(=O)CCC 1626a_100000210919_100000211992 [1,1,0,0,0,0|2,0,0]=4 9503 B13R0.330 CCCCCCC(C)NC(=O)CCC 240690a_100000210919_100000211992 [1,1,0,0,0,0|2,0,0]=4 9504 B13R0.330 CCCCCCC(C)NC(=O)CCC 527a_100000210919_100000211992 [1,1,0,0,0,0|2,0,0]=4 9505 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 9506 B13R0.330 CCCCCCC(C)NC(=O)NCC 2708a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 9507 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 9508 B13R0.330 CCCCCCC(C)NC(=O)NCC 273464a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 9509 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100000210919_100015525214 [1,1,0,0,0,0|2,0,0]=4 9510 B13R0.330 CCCCCCC(C)NC(=O)NCC 512a_100015525214_100000210919 [1,1,0,0,0,0|2,0,0]=4 9511 B13R0.330 CCCCCCN(C)CC(=O)CCC 2230a_106256046315_100000747444 [1,1,0,0,0,0|2,0,0]=4 9512 B13R0.330 CCCCCCN(C)CC(=O)CCC 269982a_106256046315_100000747444 [1,1,0,0,0,0|2,0,0]=4 9513 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210314 [1,1,0,0,0,0|2,0,0]=4 9514 B13R0.330 CCCCCCN(C)CC(=O)NCC 2230a_106256046315_100000183381 [1,1,0,0,0,0|2,0,0]=4 9515 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210757 [1,1,0,0,0,0|2,0,0]=4 9516 B13R0.330 CCCCCCN(C)CC(=O)NCC 269982a_106256046315_100000183381 [1,1,0,0,0,0|2,0,0]=4 9517 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210314 [1,1,0,0,0,0|1,0,0]=3 9518 B13R0.330 CCCCCCN(C)CC(=O)OCC 2230a_106256046315_100000188475 [1,1,0,0,0,0|1,0,0]=3 9519 B13R0.330 CCCCCCN(C)CC(=O)OCC 269982a_106256046315_100000188475 [1,1,0,0,0,0|1,0,0]=3 9520 B13R0.330 CCCCCNC(=O)CC(=O)OCC 240690a_100000209983_100000243816 [1,1,0,0,0,0|1,0,1]=4 9521 B13R0.330 CCCCCNC(C)CC(=O)OCC 2230a_100000209983_100009817359 [1,1,0,0,0,0|1,0,0]=3 9522 B13R0.330 CCCCCOC(C)CC(=O)OCC 7a_100000210253_100009817359 [1,1,0,0,0,0|1,0,0]=3 9523 B13R0.330 CCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210326 [1,1,0,0,0,0|1,0,0]=3 9524 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100000210326_100009817359 [1,1,0,0,0,0|1,0,0]=3 9525 B13R0.330 CCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210326 [1,1,0,0,0,0|1,0,0]=3 9526 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210326 [1,1,0,0,0,0|2,0,0]=4 9527 B13R0.330 CCCCCSC(C)OC(=O)OCC 62a_100000210326_100000036008 [1,1,0,0,0,0|2,0,0]=4 9528 B13R0.330 CCCCNC[C@@H](O)CC(=O)OCC 7a_106832991798_100000688340 [1,1,0,0,0,0|1,0,0]=3 9529 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000243816_100011995733 [1,1,0,0,0,0|1,0,1]=4 9530 B13R0.330 CCCCOCC(=O)CC(=O)OCC 1458a_100000757543_100000188475 [1,1,0,0,0,0|1,0,1]=4 9531 B13R0.330 CCCCOCN(C)CC(=O)OCC 2230a_100000220588_100011995733 [1,1,0,0,0,0|2,0,0]=4 9532 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 34a_100000210227_100000688340 [1,1,0,0,0,0|1,0,0]=3 9533 B13R0.330 CCCCOC[C@@H](O)CC(=O)OCC 7a_100000210227_100000688340 [1,1,0,0,0,0|1,0,0]=3 9534 B13R0.330 CCCCSCC(=O)CC(=O)OCC 1458a_100000191162_100000188475 [1,1,0,0,0,0|1,0,1]=4 9535 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210211_100000210311 [1,1,0,0,0,0|1,0,1]=4 9536 B13R0.330 CCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210210 [1,1,0,0,0,0|1,0,1]=4 9537 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000210211_100000688340 [1,1,0,0,0,0|1,0,0]=3 9538 B13R0.330 CCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210210 [1,1,0,0,0,0|1,0,0]=3 9539 B13R0.330 CCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011215938 [1,1,0,0,0,0|1,0,1]=4 9540 B13R0.330 CCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011215938 [1,1,0,0,0,0|2,0,0]=4 9541 B13R0.330 CCOC(=O)CC(=O)CCCCCF 1458a_100000243816_100000729378 [1,1,0,0,0,0|1,0,1]=4 9542 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100000243816_100000746330 [1,1,0,0,0,0|1,0,1]=4 9543 B13R0.330 CCOC(=O)CC(=O)CCCCCO 1458a_100102619762_100000188475 [1,1,0,0,0,0|1,0,1]=4 9544 B13R0.330 CCOC(=O)CC(=O)CCCCOC 1458a_100000243816_100000755781 [1,1,0,0,0,0|1,0,1]=4 9545 B13R0.330 CCOC(=O)CC(C)NCCCCO 2230a_100000750430_100009817359 [1,1,0,0,0,0|2,0,0]=4 9546 B13R0.330 CCOC(=O)CC(C)NCCCSC 2230a_100000749238_100009817359 [1,1,0,0,0,0|2,0,0]=4 9547 B13R0.330 CCOC(=O)CC(C)NCCSCC 2230a_100000106463_100009817359 [1,1,0,0,0,0|2,0,0]=4 9548 B13R0.330 CCOC(=O)CC(C)OCCCCCl 7a_100000210776_100009817359 [1,1,0,0,0,0|2,0,0]=4 9549 B13R0.330 CCOC(=O)CC(C)OCCCCF 7a_100011995726_100009817359 [1,1,0,0,0,0|2,0,0]=4 9550 B13R0.330 CCOC(=O)CC(C)OCCCSC 7a_100000690336_100009817359 [1,1,0,0,0,0|2,0,0]=4 9551 B13R0.330 CCOC(=O)CC(C)OCCSCC 7a_100000212035_100009817359 [1,1,0,0,0,0|2,0,0]=4 9552 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100000729493_100009817359 [1,1,0,0,0,0|2,0,0]=4 9553 B13R0.330 CCOC(=O)CC(C)SCCCCF 62a_100009817359_100000729493 [1,1,0,0,0,0|2,0,0]=4 9554 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100000210776_100009817359 [1,1,0,0,0,0|2,0,0]=4 9555 B13R0.330 CCOC(=O)CC(C)SCCCCO 62a_100009817359_100000210776 [1,1,0,0,0,0|2,0,0]=4 9556 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100000709357_100009817359 [1,1,0,0,0,0|2,0,0]=4 9557 B13R0.330 CCOC(=O)CC(C)SCCCOC 62a_100009817359_100000709357 [1,1,0,0,0,0|2,0,0]=4 9558 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100000757381_100009817359 [1,1,0,0,0,0|2,0,0]=4 9559 B13R0.330 CCOC(=O)CC(C)SCCSCC 62a_100009817359_100000757381 [1,1,0,0,0,0|2,0,0]=4 9560 B13R0.330 CCOC(=O)CN(C)CCCCCF 2230a_100000220588_100000729378 [1,1,0,0,0,0|2,0,0]=4 9561 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000220588_100000746330 [1,1,0,0,0,0|2,0,0]=4 9562 B13R0.330 CCOC(=O)CN(C)CCCCCO 2230a_100000722520_100000188475 [1,1,0,0,0,0|2,0,0]=4 9563 B13R0.330 CCOC(=O)CN(C)CCCCCO 269982a_100000722520_100000188475 [1,1,0,0,0,0|2,0,0]=4 9564 B13R0.330 CCOC(=O)CN(C)CCCCOC 2230a_100000220588_100000730899 [1,1,0,0,0,0|2,0,0]=4 9565 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCF 7a_100009816390_100000729493 [1,1,0,0,0,0|2,0,0]=4 9566 B13R0.330 CCOC(=O)C[C@@H](C)OCCCCO 7a_100009816390_100000210776 [1,1,0,0,0,0|2,0,0]=4 9567 B13R0.330 CCOC(=O)C[C@@H](C)OCCCOC 7a_100009816390_100000740836 [1,1,0,0,0,0|2,0,0]=4 9568 B13R0.330 CCOC(=O)C[C@@H](C)OCCSCC 7a_100009816390_100000757381 [1,1,0,0,0,0|2,0,0]=4 9569 B13R0.330 CCOC(=O)C[C@H](O)CNCCCF 34a_100015189416_100000688340 [1,1,0,0,0,0|2,0,0]=4 9570 B13R0.330 CCOC(=O)C[C@H](O)COCCCBr 34a_100011217188_100000688340 [1,1,0,0,0,0|2,0,0]=4 9571 B13R0.330 CCOC(=O)C[C@H](O)COCCCCl 34a_100000230001_100000688340 [1,1,0,0,0,0|2,0,0]=4 9572 B13R0.330 CCOC(=O)C[C@H](O)COCCCF 34a_100000759539_100000688340 [1,1,0,0,0,0|2,0,0]=4 9573 B13R0.330 CCOC(=O)C[C@H](O)COCCCN 34a_100000182051_100000688340 [1,1,0,0,0,0|2,0,0]=4 9574 B13R0.330 CCOC(=O)C[C@H](O)COCCOC 34a_100000210237_100000688340 [1,1,0,0,0,0|2,0,0]=4 9575 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 34a_100000230434_100000688340 [1,1,0,0,0,0|2,0,0]=4 9576 B13R0.330 CCOC(=O)C[C@H](O)COCCSC 7a_100000230434_100000688340 [1,1,0,0,0,0|2,0,0]=4 9577 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100000688340_100011934791 [1,1,0,0,0,0|2,0,0]=4 9578 B13R0.330 CCOC(=O)C[C@H](O)CSCCCF 62a_100011934791_100000688340 [1,1,0,0,0,0|2,0,0]=4 9579 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100000688340_100011215043 [1,1,0,0,0,0|2,0,0]=4 9580 B13R0.330 CCOC(=O)C[C@H](O)CSCCCO 62a_100011215043_100000688340 [1,1,0,0,0,0|2,0,0]=4 9581 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000233755_100000688340 [1,1,0,0,0,0|2,0,0]=4 9582 B13R0.330 CCOC(=O)C[C@H](O)CSCCOC 62a_100000688340_100000233755 [1,1,0,0,0,0|2,0,0]=4 9583 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000212216_100000688340 [1,1,0,0,0,0|2,0,0]=4 9584 B13R0.330 CCOC(=O)C[C@H](O)CSCCSC 62a_100000688340_100000751147 [1,1,0,0,0,0|2,0,0]=4 9585 B13R0.330 CCOCCCC(=O)CC(=O)OCC 1458a_100000243816_100012232248 [1,1,0,0,0,0|1,0,1]=4 9586 B13R0.330 CCOCCCN(C)CC(=O)OCC 2230a_100000220588_100012232248 [1,1,0,0,0,0|2,0,0]=4 9587 B13R0.330 CCOCCNC(C)CC(=O)OCC 2230a_102516460346_100009817359 [1,1,0,0,0,0|2,0,0]=4 9588 B13R0.330 CCOCCOC(C)CC(=O)OCC 7a_100000210136_100009817359 [1,1,0,0,0,0|2,0,0]=4 9589 B13R0.330 CCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100011215890 [1,1,0,0,0,0|2,0,0]=4 9590 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100000210147_100009817359 [1,1,0,0,0,0|2,0,0]=4 9591 B13R0.330 CCOCCSC(C)CC(=O)OCC 62a_100009817359_100011215890 [1,1,0,0,0,0|2,0,0]=4 9592 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000739092 [1,1,0,0,0,0|2,0,0]=4 9593 B13R0.330 CCOCSC[C@@H](O)CC(=O)OCC 62a_100000739092_100000688340 [1,1,0,0,0,0|2,0,0]=4 9594 B13R0.335 C=C(C)CC(=O)CCCCCCCC 1458a_100000210188_100000748629 [1,1,0,0,0,0|1,0,1]=4 9595 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100000210554_100000760002 [1,1,0,0,0,0|2,0,0]=4 9596 B13R0.335 CC(C)CC(=O)CCCCCCCO 1458a_100011219782_100000210624 [1,1,0,0,0,0|2,0,0]=4 9597 B13R0.335 CC(C)NC(=O)CCCCCCCO 240690a_100138425928_100011219782 [1,1,0,0,0,0|2,0,0]=4 9598 B13R0.335 CC(C)OC(=O)CCCCCSCF 62a_100015361967_200010986244 [1,1,0,0,0,0|2,0,0]=4 9599 B13R0.335 CC(C)OC(=O)CCCCCSCF 62a_200010986244_100015361967 [1,1,0,0,0,0|2,0,0]=4 9600 B13R0.335 CC(C)OC(=O)CCNCCCCO 2230a_100000750430_100000760027 [1,1,0,0,0,0|2,0,0]=4 9601 B13R0.335 CC(C)OC(=O)CCOCCCCCl 7a_100000210776_100000760027 [1,1,0,0,0,0|2,0,0]=4 9602 B13R0.335 CC(C)OC(=O)CCOCCCCF 7a_100011995726_100000760027 [1,1,0,0,0,0|2,0,0]=4 9603 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000729493_100000760027 [1,1,0,0,0,0|2,0,0]=4 9604 B13R0.335 CC(C)OC(=O)CCSCCCCF 62a_100000760027_100000729493 [1,1,0,0,0,0|2,0,0]=4 9605 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000210776_100000760027 [1,1,0,0,0,0|2,0,0]=4 9606 B13R0.335 CC(C)OC(=O)CCSCCCCO 62a_100000760027_100000210776 [1,1,0,0,0,0|2,0,0]=4 9607 B13R0.335 CC(C)OC(=O)CNCCCCCO 2230a_100000762737_100011215430 [1,1,0,0,0,0|2,0,0]=4 9608 B13R0.335 CC(C)OC(=O)CNCCCCCO 34a_100000762737_100011215430 [1,1,0,0,0,0|2,0,0]=4 9609 B13R0.335 CC(C)OC(=O)COCCCCCBr 34a_100000746331_100011215430 [1,1,0,0,0,0|2,0,0]=4 9610 B13R0.335 CC(C)OC(=O)COCCCCCBr 7a_100000746331_100011215430 [1,1,0,0,0,0|2,0,0]=4 9611 B13R0.335 CC(C)OC(=O)COCCCCCCl 34a_100000746330_100011215430 [1,1,0,0,0,0|2,0,0]=4 9612 B13R0.335 CC(C)OC(=O)COCCCCCCl 7a_100000746330_100011215430 [1,1,0,0,0,0|2,0,0]=4 9613 B13R0.335 CC(C)OC(=O)COCCCCCI 34a_200012148887_100011215430 [1,1,0,0,0,0|2,0,0]=4 9614 B13R0.335 CC(C)OC(=O)COCCCCCI 7a_200012148887_100011215430 [1,1,0,0,0,0|2,0,0]=4 9615 B13R0.335 CC(C)OC(=O)COCCCCCN 34a_100000762737_100011215430 [1,1,0,0,0,0|2,0,0]=4 9616 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100000729378_100011215430 [1,1,0,0,0,0|2,0,0]=4 9617 B13R0.335 CC(C)OC(=O)CSCCCCCF 62a_100011215430_100000729378 [1,1,0,0,0,0|2,0,0]=4 9618 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100000746330_100011215430 [1,1,0,0,0,0|2,0,0]=4 9619 B13R0.335 CC(C)OC(=O)CSCCCCCO 62a_100011215430_100000746330 [1,1,0,0,0,0|2,0,0]=4 9620 B13R0.335 CC(O)CC(=O)CCCCCCCO 1458a_100011219782_100011218427 [1,1,0,0,0,0|2,0,0]=4 9621 B13R0.335 CCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210759 [1,1,0,0,0,0|1,0,1]=4 9622 B13R0.335 CCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210759 [1,1,0,0,0,0|1,0,1]=4 9623 B13R0.335 CCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210759 [1,1,0,0,0,0|1,0,1]=4 9624 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210188_100000210624 [1,1,0,0,0,0|1,0,0]=3 9625 B13R0.335 CCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210759 [1,1,0,0,0,0|1,0,0]=3 9626 B13R0.335 CCCCCCCCC(=O)CC(C)O 1458a_100000210188_100011218427 [1,1,0,0,0,0|1,0,0]=3 9627 B13R0.335 CCCCCCCCC(=O)CC(F)F 1458a_100000210188_100011934356 [1,1,0,0,0,0|2,0,0]=4 9628 B13R0.335 CCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210759 [1,1,0,0,0,0|2,0,0]=4 9629 B13R0.335 CCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210759 [1,1,0,0,0,0|1,0,0]=3 9630 B13R0.335 CCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210759 [1,1,0,0,0,0|2,0,0]=4 9631 B13R0.335 CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210188 [1,1,0,0,0,0|1,0,0]=3 9632 B13R0.335 CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210188 [1,1,0,0,0,0|1,0,0]=3 9633 B13R0.335 CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210188 [1,1,0,0,0,0|1,0,0]=3 9634 B13R0.335 CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000210188 [1,1,0,0,0,0|1,0,0]=3 9635 B13R0.335 CCCCCCCCC(C)OC(C)C 34a_100000210740_100000210206 [1,1,0,0,0,0|1,0,1]=4 9636 B13R0.335 CCCCCCCCC(C)OC(C)C 7a_100000210740_100000210206 [1,1,0,0,0,0|1,0,1]=4 9637 B13R0.335 CCCCCCCNC(=O)CC(C)C 11a_100000229938_100000210554 [1,1,0,0,0,0|2,0,0]=4 9638 B13R0.335 CCCCCCCNC(=O)CC(C)C 1626a_100000229938_100000210554 [1,1,0,0,0,0|2,0,0]=4 9639 B13R0.335 CCCCCCCNC(=O)CC(C)C 240690a_100000229938_100000210554 [1,1,0,0,0,0|2,0,0]=4 9640 B13R0.335 CCCCCCCNC(=O)CC(C)C 527a_100000229938_100000210554 [1,1,0,0,0,0|2,0,0]=4 9641 B13R0.335 CCCCCCCNC(=O)C[C@@H](C)O 240690a_100000229938_100011933948 [1,1,0,0,0,0|2,0,0]=4 9642 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100000229938_100138425928 [1,1,0,0,0,0|2,0,0]=4 9643 B13R0.335 CCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 9644 B13R0.335 CCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 9645 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100000229938_100138425928 [1,1,0,0,0,0|2,0,0]=4 9646 B13R0.335 CCCCCCCNC(=O)NC(C)C 512a_100138425928_100000229938 [1,1,0,0,0,0|2,0,0]=4 9647 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210314 [1,1,0,0,0,0|2,0,0]=4 9648 B13R0.335 CCCCCCNCC(=O)NC(C)C 2230a_100000210581_100000183996 [1,1,0,0,0,0|2,0,0]=4 9649 B13R0.335 CCCCCCNCC(=O)OC(C)C 2230a_100000210581_100011215430 [1,1,0,0,0,0|1,0,0]=3 9650 B13R0.335 CCCCCCOCC(=O)NC(C)C 34a_100000210259_100000183996 [1,1,0,0,0,0|2,0,0]=4 9651 B13R0.335 CCCCCCOCC(=O)NC(C)C 7a_100000210259_100000183996 [1,1,0,0,0,0|2,0,0]=4 9652 B13R0.335 CCCCCCOCC(=O)OC(C)C 34a_100000210259_100011215430 [1,1,0,0,0,0|1,0,0]=3 9653 B13R0.335 CCCCCCOCC(=O)OC(C)C 7a_100000210259_100011215430 [1,1,0,0,0,0|1,0,0]=3 9654 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210757 [1,1,0,0,0,0|2,0,0]=4 9655 B13R0.335 CCCCCCSCC(=O)NC(C)C 62a_100000210314_100000183996 [1,1,0,0,0,0|2,0,0]=4 9656 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100000210314_100011215430 [1,1,0,0,0,0|1,0,0]=3 9657 B13R0.335 CCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210757 [1,1,0,0,0,0|1,0,0]=3 9658 B13R0.335 CCCCCNCCC(=O)NC(C)C 2230a_100000209983_100000737564 [1,1,0,0,0,0|2,0,0]=4 9659 B13R0.335 CCCCCNCCC(=O)OC(C)C 2230a_100000209983_100000760027 [1,1,0,0,0,0|1,0,0]=3 9660 B13R0.335 CCCCCOCCC(=O)NC(C)C 7a_100000210253_100000737564 [1,1,0,0,0,0|2,0,0]=4 9661 B13R0.335 CCCCCOCCC(=O)OC(C)C 7a_100000210253_100000760027 [1,1,0,0,0,0|1,0,0]=3 9662 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000210326_100000737564 [1,1,0,0,0,0|2,0,0]=4 9663 B13R0.335 CCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210326 [1,1,0,0,0,0|2,0,0]=4 9664 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000210326_100000760027 [1,1,0,0,0,0|1,0,0]=3 9665 B13R0.335 CCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210326 [1,1,0,0,0,0|1,0,0]=3 9666 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210326 [1,1,0,0,0,0|2,0,0]=4 9667 B13R0.335 CCCCCSCOC(=O)OC(C)C 62a_100000210326_100000003507 [1,1,0,0,0,0|2,0,0]=4 9668 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011215430_100011995733 [1,1,0,0,0,0|2,0,0]=4 9669 B13R0.335 CCCCOCSCC(=O)OC(C)C 62a_100011995733_100011215430 [1,1,0,0,0,0|2,0,0]=4 9670 B13R0.335 CCCOCCNCC(=O)OC(C)C 2230a_100161115042_100011215430 [1,1,0,0,0,0|2,0,0]=4 9671 B13R0.335 CCCOCCNCC(=O)OC(C)C 34a_100161115042_100011215430 [1,1,0,0,0,0|2,0,0]=4 9672 B13R0.335 CCCOCCOCC(=O)OC(C)C 34a_100000752267_100011215430 [1,1,0,0,0,0|2,0,0]=4 9673 B13R0.335 CCCOCCOCC(=O)OC(C)C 7a_100000752267_100011215430 [1,1,0,0,0,0|2,0,0]=4 9674 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215430_100011215938 [1,1,0,0,0,0|2,0,0]=4 9675 B13R0.335 CCCOCCSCC(=O)OC(C)C 62a_100011215938_100011215430 [1,1,0,0,0,0|2,0,0]=4 9676 B13R0.335 CCCSCCNCC(=O)OC(C)C 2230a_100020603323_100011215430 [1,1,0,0,0,0|2,0,0]=4 9677 B13R0.335 CCCSCCOCC(=O)OC(C)C 34a_200000230433_100011215430 [1,1,0,0,0,0|2,0,0]=4 9678 B13R0.335 CCCSCCOCC(=O)OC(C)C 7a_200000230433_100011215430 [1,1,0,0,0,0|2,0,0]=4 9679 B13R0.335 CCNCCCCCC(=O)OC(C)C 2230a_100015525214_200010986244 [1,1,0,0,0,0|1,0,0]=3 9680 B13R0.335 CCOCCCCCC(=O)OC(C)C 34a_100121572206_200010986244 [1,1,0,0,0,0|1,0,0]=3 9681 B13R0.335 CCOCCCNCC(=O)OC(C)C 2230a_100000210961_100011215430 [1,1,0,0,0,0|2,0,0]=4 9682 B13R0.335 CCOCCCNCC(=O)OC(C)C 34a_100000210961_100011215430 [1,1,0,0,0,0|2,0,0]=4 9683 B13R0.335 CCOCCCOCC(=O)OC(C)C 34a_100000757476_100011215430 [1,1,0,0,0,0|2,0,0]=4 9684 B13R0.335 CCOCCCOCC(=O)OC(C)C 7a_100000757476_100011215430 [1,1,0,0,0,0|2,0,0]=4 9685 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100011215430_100012232248 [1,1,0,0,0,0|2,0,0]=4 9686 B13R0.335 CCOCCCSCC(=O)OC(C)C 62a_100012232248_100011215430 [1,1,0,0,0,0|2,0,0]=4 9687 B13R0.335 CCOCCNCCC(=O)OC(C)C 2230a_102516460346_100000760027 [1,1,0,0,0,0|2,0,0]=4 9688 B13R0.335 CCOCCOCCC(=O)OC(C)C 7a_100000210136_100000760027 [1,1,0,0,0,0|2,0,0]=4 9689 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000210147_100000760027 [1,1,0,0,0,0|2,0,0]=4 9690 B13R0.335 CCOCCSCCC(=O)OC(C)C 62a_100000760027_100011215890 [1,1,0,0,0,0|2,0,0]=4 9691 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_100000210202_200010986244 [1,1,0,0,0,0|1,0,0]=3 9692 B13R0.335 CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210202 [1,1,0,0,0,0|1,0,0]=3 9693 B13R0.335 CCSCCCOCC(=O)OC(C)C 34a_100011216438_100011215430 [1,1,0,0,0,0|2,0,0]=4 9694 B13R0.335 CCSCCCOCC(=O)OC(C)C 7a_100011216438_100011215430 [1,1,0,0,0,0|2,0,0]=4 9695 B13R0.335 CCSCCNCCC(=O)OC(C)C 2230a_100000106463_100000760027 [1,1,0,0,0,0|2,0,0]=4 9696 B13R0.335 CCSCCOCCC(=O)OC(C)C 7a_100000212035_100000760027 [1,1,0,0,0,0|2,0,0]=4 9697 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000757381_100000760027 [1,1,0,0,0,0|2,0,0]=4 9698 B13R0.335 CCSCCSCCC(=O)OC(C)C 62a_100000760027_100000757381 [1,1,0,0,0,0|2,0,0]=4 9699 B13R0.335 COCCCCCCC(=O)CC(C)C 1458a_100000210554_100011998445 [1,1,0,0,0,0|2,0,0]=4 9700 B13R0.335 COCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011998445 [1,1,0,0,0,0|2,0,0]=4 9701 B13R0.335 COCCCCOCC(=O)OC(C)C 34a_100000740925_100011215430 [1,1,0,0,0,0|2,0,0]=4 9702 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100000730899_100011215430 [1,1,0,0,0,0|2,0,0]=4 9703 B13R0.335 COCCCCSCC(=O)OC(C)C 62a_100011215430_100000730899 [1,1,0,0,0,0|2,0,0]=4 9704 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000709357_100000760027 [1,1,0,0,0,0|2,0,0]=4 9705 B13R0.335 COCCCSCCC(=O)OC(C)C 62a_100000760027_100000709357 [1,1,0,0,0,0|2,0,0]=4 9706 B13R0.335 CSCCCCOCC(=O)OC(C)C 34a_100011217163_100011215430 [1,1,0,0,0,0|2,0,0]=4 9707 B13R0.335 CSCCCCOCC(=O)OC(C)C 7a_100011217163_100011215430 [1,1,0,0,0,0|2,0,0]=4 9708 B13R0.335 CSCCCNCCC(=O)OC(C)C 2230a_100000749238_100000760027 [1,1,0,0,0,0|2,0,0]=4 9709 B13R0.335 CSCCCOCCC(=O)OC(C)C 7a_100000690336_100000760027 [1,1,0,0,0,0|2,0,0]=4 9710 B13R0.335 C[C@@H](O)CC(=O)CCCCCCCO 1458a_100011933948_100000760002 [1,1,0,0,0,0|2,0,0]=4 9711 B13R0.340 C/C=C(\C)/C(=O)CCCCCCCC 1458a_100020587367_100000210759 [1,1,0,0,0,0|1,0,1]=4 9712 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011192722_100000760002 [1,1,0,0,0,0|2,0,0]=4 9713 B13R0.340 CCC(C)C(=O)CCCCCCCO 1458a_100011219782_100000758301 [1,1,0,0,0,0|2,0,0]=4 9714 B13R0.340 CCC(C)C(=O)CCCCCCOC 1458a_100011192722_100011998445 [1,1,0,0,0,0|2,0,0]=4 9715 B13R0.340 CCC(O)C(=O)CCCCCCCO 1458a_100011196387_100000760002 [1,1,0,0,0,0|2,0,0]=4 9716 B13R0.340 CCC(O)C(=O)CCCCCCOC 1458a_100011196387_100011998445 [1,1,0,0,0,0|2,0,0]=4 9717 B13R0.340 CCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210759 [1,1,0,0,0,0|2,0,0]=4 9718 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100000210188_100000758301 [1,1,0,0,0,0|1,0,0]=3 9719 B13R0.340 CCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210759 [1,1,0,0,0,0|1,0,0]=3 9720 B13R0.340 CCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210759 [1,1,0,0,0,0|2,0,0]=4 9721 B13R0.340 CCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210759 [1,1,0,0,0,0|2,0,0]=4 9722 B13R0.340 CCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210759 [1,1,0,0,0,0|1,0,0]=3 9723 B13R0.340 CCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210759 [1,1,0,0,0,0|2,0,0]=4 9724 B13R0.340 CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210188 [1,1,0,0,0,0|1,0,0]=3 9725 B13R0.340 CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210188 [1,1,0,0,0,0|1,0,0]=3 9726 B13R0.340 CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210188 [1,1,0,0,0,0|1,0,0]=3 9727 B13R0.340 CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000210188 [1,1,0,0,0,0|1,0,0]=3 9728 B13R0.340 CCCCCCCNC(=O)C(C)CC 11a_100000229938_100011192722 [1,1,0,0,0,0|2,0,0]=4 9729 B13R0.340 CCCCCCCNC(=O)C(C)CC 1626a_100000229938_100011192722 [1,1,0,0,0,0|2,0,0]=4 9730 B13R0.340 CCCCCCCNC(=O)C(C)CC 240690a_100000229938_100011192722 [1,1,0,0,0,0|2,0,0]=4 9731 B13R0.340 CCCCCCCNC(=O)C(C)CC 527a_100000229938_100011192722 [1,1,0,0,0,0|2,0,0]=4 9732 B13R0.340 CCCCCCCNC(=O)C(O)CC 240690a_100000229938_100011196387 [1,1,0,0,0,0|2,0,0]=4 9733 B13R0.340 CCCCCCCNC(=O)N(C)CC 2708a_100000229938_100000225621 [1,1,0,0,0,0|2,0,0]=4 9734 B13R0.340 CCCCCCCNC(=O)N(C)CC 273464a_100000229938_100000225621 [1,1,0,0,0,0|2,0,0]=4 9735 B13R0.340 CCCCCCNCC(=O)N(C)CC 2230a_100000210581_100000738999 [1,1,0,0,0,0|2,0,0]=4 9736 B13R0.340 CCCCCCOCC(=O)N(C)CC 34a_100000210259_100000738999 [1,1,0,0,0,0|2,0,0]=4 9737 B13R0.340 CCCCCCOCC(=O)N(C)CC 7a_100000210259_100000738999 [1,1,0,0,0,0|2,0,0]=4 9738 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000210314_100000738999 [1,1,0,0,0,0|2,0,0]=4 9739 B13R0.340 CCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210757 [1,1,0,0,0,0|2,0,0]=4 9740 B13R0.340 CCN(C)C(=O)CCCCCCCO 240690a_100000225621_100011219782 [1,1,0,0,0,0|2,0,0]=4 9741 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100000211992_100000750268 [1,1,0,0,0,0|0,0,1]=3 9742 B13R0.367 CCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210303 [1,1,0,0,0,0|0,0,1]=3 9743 B13R0.367 CCCC(=O)CCOCC(=O)OCC 1458a_100000211992_100000088970 [1,1,0,0,0,0|1,0,1]=4 9744 B13R0.367 CCCC(=O)COCCC(C)CCC 7a_100011217855_100000747444 [1,1,0,0,0,0|2,0,0]=4 9745 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000747444_100000765890 [1,1,0,0,0,0|1,0,1]=4 9746 B13R0.367 CCCC(=O)CSCCC(=O)OCC 62a_100000765890_100000747444 [1,1,0,0,0,0|1,0,1]=4 9747 B13R0.367 CCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000211992 [1,1,0,0,0,0|1,0,1]=4 9748 B13R0.367 CCCC(C)CCOCC(=O)NCC 34a_100011217855_100000183381 [1,1,0,0,0,0|2,0,0]=4 9749 B13R0.367 CCCC(C)CCOCC(=O)NCC 7a_100011217855_100000183381 [1,1,0,0,0,0|2,0,0]=4 9750 B13R0.367 CCCC(C)CCOCC(=O)OCC 34a_100011217855_100000188475 [1,1,0,0,0,0|1,0,0]=3 9751 B13R0.367 CCCC(C)CCOCC(=O)OCC 7a_100011217855_100000188475 [1,1,0,0,0,0|1,0,0]=3 9752 B13R0.367 CCCC(C)CNCCC(=O)NCC 270004a_100025743525_100000243154 [1,1,0,0,0,0|2,0,0]=4 9753 B13R0.367 CCCC(C)CNCCC(=O)NCC 34a_100025743525_100011216630 [1,1,0,0,0,0|2,0,0]=4 9754 B13R0.367 CCCC(C)COCCC(=O)NCC 7a_100000688023_100000737597 [1,1,0,0,0,0|2,0,0]=4 9755 B13R0.367 CCCC(C)COCCC(=O)OCC 34a_100000688023_100000765890 [1,1,0,0,0,0|1,0,0]=3 9756 B13R0.367 CCCC(C)COCCC(=O)OCC 7a_100000688023_100011206558 [1,1,0,0,0,0|1,0,0]=3 9757 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100000737597_100011216630 [1,1,0,0,0,0|2,0,0]=4 9758 B13R0.367 CCCC(C)CSCCC(=O)NCC 62a_100011216630_100000737597 [1,1,0,0,0,0|2,0,0]=4 9759 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100000765890_100011216630 [1,1,0,0,0,0|1,0,0]=3 9760 B13R0.367 CCCC(C)CSCCC(=O)OCC 62a_100011216630_100000765890 [1,1,0,0,0,0|1,0,0]=3 9761 B13R0.367 CCCC(C)CSCOC(=O)OCC 62a_100011216630_100000075025 [1,1,0,0,0,0|2,0,0]=4 9762 B13R0.367 CCCC(C)NCCCC(=O)OCC 2230a_100000741246_100009991533 [1,1,0,0,0,0|1,0,0]=3 9763 B13R0.367 CCCC(C)OCCCC(=O)OCC 34a_100000764384_100009991533 [1,1,0,0,0,0|1,0,0]=3 9764 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100000764384_100011215271 [1,1,0,0,0,0|1,0,0]=3 9765 B13R0.367 CCCC(C)OCCCC(=O)OCC 7a_100012001163_100000766640 [1,1,0,0,0,0|1,0,0]=3 9766 B13R0.367 CCCC(C)OCCNC(=O)OCC 34a_100000158857_100000766640 [1,1,0,0,0,0|2,0,0]=4 9767 B13R0.367 CCCC(C)OCCNC(=O)OCC 7a_100000764384_200011445536 [1,1,0,0,0,0|2,0,0]=4 9768 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100000766640_100009991533 [1,1,0,0,0,0|1,0,0]=3 9769 B13R0.367 CCCC(C)SCCCC(=O)OCC 62a_100009991533_100000766640 [1,1,0,0,0,0|1,0,0]=3 9770 B13R0.367 CCCC(C)SCCNC(=O)OCC 62a_100000766640_200011445536 [1,1,0,0,0,0|2,0,0]=4 9771 B13R0.367 CCCN(C)CCCCC(=O)OCC 2230a_100000747261_100000750268 [1,1,0,0,0,0|1,0,0]=3 9772 B13R0.367 CCCN(C)CCCCC(=O)OCC 269982a_100000747261_100000750268 [1,1,0,0,0,0|1,0,0]=3 9773 B13R0.367 CCCN(C)CCOCC(=O)OCC 2230a_100000747261_100000088970 [1,1,0,0,0,0|2,0,0]=4 9774 B13R0.367 CCCN(C)CCOCC(=O)OCC 269982a_100000747261_100000088970 [1,1,0,0,0,0|2,0,0]=4 9775 B13R0.367 CCC[C@H](N)CCOCC(=O)NCC 34a_100015193777_100000183381 [1,1,0,0,0,0|2,0,0]=4 9776 B13R0.367 CCC[C@H](N)CCOCC(=O)OCC 34a_100015193777_100000188475 [1,1,0,0,0,0|1,0,0]=3 9777 B13R0.367 CCC[C@H](N)COCCC(=O)OCC 34a_100000732646_100000765890 [1,1,0,0,0,0|1,0,0]=3 9778 B13R0.367 CCNC(=O)CCCCC(=O)OCC 11a_100015525214_100011217402 [1,1,0,0,0,0|1,0,1]=4 9779 B13R0.367 CCNC(=O)CCCCC(=O)OCC 240690a_100015525214_100011217402 [1,1,0,0,0,0|1,0,1]=4 9780 B13R0.367 CCNC(=O)CCCCC(=O)OCC 527a_100015525214_100011217402 [1,1,0,0,0,0|1,0,1]=4 9781 B13R0.367 CCOC(=O)CCCCC(=O)CCF 1458a_100011217402_100011217306 [1,1,0,0,0,0|1,0,1]=4 9782 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011216618_100000750268 [1,1,0,0,0,0|1,0,1]=4 9783 B13R0.367 CCOC(=O)CCCCC(=O)CCO 1458a_100011217402_100000211926 [1,1,0,0,0,0|1,0,1]=4 9784 B13R0.367 CCOC(=O)CCCCC(=O)COC 1458a_100000210968_100000750268 [1,1,0,0,0,0|1,0,1]=4 9785 B13R0.367 CCOC(=O)CCCCC(=O)CSC 1458a_100000184570_100000750268 [1,1,0,0,0,0|1,0,1]=4 9786 B13R0.367 CCOC(=O)CCCCN(C)CCO 2230a_100000210263_100000750268 [1,1,0,0,0,0|2,0,0]=4 9787 B13R0.367 CCOC(=O)CCCCN(C)CCO 269982a_100000210263_100000750268 [1,1,0,0,0,0|2,0,0]=4 9788 B13R0.367 CCOC(=O)CCCN[C@H](C)CCO 2230a_100000706166_100009991533 [1,1,0,0,0,0|2,0,0]=4 9789 B13R0.367 CCOC(=O)CCCN[C@H](C)CCO 34a_100000706166_100009991533 [1,1,0,0,0,0|2,0,0]=4 9790 B13R0.367 CCOC(=O)CCCN[C@H](C)COC 2230a_100000764878_100009991533 [1,1,0,0,0,0|2,0,0]=4 9791 B13R0.367 CCOC(=O)CCCOC(C)CCBr 34a_100012276601_100009991533 [1,1,0,0,0,0|2,0,0]=4 9792 B13R0.367 CCOC(=O)CCCOC(C)CCO 7a_100012001163_100009893172 [1,1,0,0,0,0|2,0,0]=4 9793 B13R0.367 CCOC(=O)CCCOC(C)COC 7a_100012001163_100000765312 [1,1,0,0,0,0|2,0,0]=4 9794 B13R0.367 CCOC(=O)CCCO[C@H](C)COC 34a_100011934205_100009991533 [1,1,0,0,0,0|2,0,0]=4 9795 B13R0.367 CCOC(=O)CCCSC(C)CCO 62a_100009893172_100009991533 [1,1,0,0,0,0|2,0,0]=4 9796 B13R0.367 CCOC(=O)CCCSC(C)CCO 62a_100009991533_100009893172 [1,1,0,0,0,0|2,0,0]=4 9797 B13R0.367 CCOC(=O)CCCSC(C)COC 62a_100000765312_100009991533 [1,1,0,0,0,0|2,0,0]=4 9798 B13R0.367 CCOC(=O)CCCSC(C)COC 62a_100009991533_100000765312 [1,1,0,0,0,0|2,0,0]=4 9799 B13R0.367 CCOC(=O)CCNCC(O)COC 2230a_100000756049_100011206558 [1,1,0,0,0,0|2,0,0]=4 9800 B13R0.367 CCOC(=O)CCNCC(O)COC 34a_100000756049_100000765890 [1,1,0,0,0,0|2,0,0]=4 9801 B13R0.367 CCOC(=O)CCOCC(C)CCN 34a_106354213184_100000765890 [1,1,0,0,0,0|2,0,0]=4 9802 B13R0.367 CCOC(=O)CCOCC(N)COC 34a_100000724102_100000765890 [1,1,0,0,0,0|2,0,0]=4 9803 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100000765890_100011215053 [1,1,0,0,0,0|2,0,0]=4 9804 B13R0.367 CCOC(=O)CCSCC(O)COC 62a_100011215053_100000765890 [1,1,0,0,0,0|2,0,0]=4 9805 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 270084a_100015525214_100011218563 [1,1,0,0,0,0|2,0,0]=4 9806 B13R0.1338 CCCCCCCCS(=O)(=O)NCC 274078a_100015525214_100011218563 [1,1,0,0,0,0|2,0,0]=4 9807 B13R0.54 CC(C)OCCCCCCCCCBr 34a_100009813782_100000210206 [1,1,0,0,0,0|1,0,1]=4 9808 B13R0.54 CC(C)OCCCCCCCCCBr 7a_100009813782_100000210206 [1,1,0,0,0,0|1,0,1]=4 9809 B13R0.54 CC(C)OCCCCCCCCCCl 34a_100009868337_100000210206 [1,1,0,0,0,0|1,0,1]=4 9810 B13R0.54 CC(C)OCCCCCCCCCCl 7a_100009868337_100000210206 [1,1,0,0,0,0|1,0,1]=4 9811 B13R0.54 CC(C)OCCCCCCCCCN 34a_100000078944_100000210206 [1,1,0,0,0,0|1,0,1]=4 9812 B13R0.54 CC(C)OCCCCCCCCCO 34a_100000212225_100009813782 [1,1,0,0,0,0|1,0,1]=4 9813 B13R0.54 CC/C=C/CCCOCCCC(C)C 34a_100016287902_100011214892 [1,1,0,0,0,0|2,0,0]=4 9814 B13R0.54 CC/C=C/CCCOCCCC(C)C 7a_100016287902_100011214892 [1,1,0,0,0,0|2,0,0]=4 9815 B13R0.54 CC/C=C/CCCOCCCC(C)O 34a_100016287902_200000718107 [1,1,0,0,0,0|2,0,0]=4 9816 B13R0.54 CC/C=C/CCCOCCCC(C)O 7a_100016287902_200000718107 [1,1,0,0,0,0|2,0,0]=4 9817 B13R0.54 CC/C=C\CCCCCNCC(C)C 269862a_100000210953_100016288537 [1,1,0,0,0,0|2,0,0]=4 9818 B13R0.54 CC/C=C\CCCCCNCC(C)O 269862a_100000210904_100016288537 [1,1,0,0,0,0|2,0,0]=4 9819 B13R0.54 CC/C=C\CCCCCOCC(C)C 34a_100016268722_100000210624 [1,1,0,0,0,0|2,0,0]=4 9820 B13R0.54 CC/C=C\CCCCCOCC(C)C 7a_100016268722_100000210760 [1,1,0,0,0,0|2,0,0]=4 9821 B13R0.54 CC/C=C\CCCCCOCC(C)O 34a_100016268722_100011218427 [1,1,0,0,0,0|2,0,0]=4 9822 B13R0.54 CC/C=C\CCCCCOCC(C)O 7a_100016268722_100011218427 [1,1,0,0,0,0|2,0,0]=4 9823 B13R0.54 CC/C=C\CCCCCOC[C@@H](C)O 34a_100016268722_100009817552 [1,1,0,0,0,0|2,0,0]=4 9824 B13R0.54 CC/C=C\CCCCCOC[C@@H](C)O 7a_100016268722_100009817552 [1,1,0,0,0,0|2,0,0]=4 9825 B13R0.54 CC/C=C\CCCCOCCC(C)C 34a_100016287862_100000210312 [1,1,0,0,0,0|2,0,0]=4 9826 B13R0.54 CC/C=C\CCCCOCCC(C)C 7a_100016287862_100000210626 [1,1,0,0,0,0|2,0,0]=4 9827 B13R0.54 CC/C=C\CCCCOCCC(C)O 34a_100016287862_100012276601 [1,1,0,0,0,0|2,0,0]=4 9828 B13R0.54 CC/C=C\CCCCOCCC(C)O 7a_100016287862_100012276601 [1,1,0,0,0,0|2,0,0]=4 9829 B13R0.54 CC/C=C\CCOCCCCC(C)C 34a_100011214890_100015370543 [1,1,0,0,0,0|2,0,0]=4 9830 B13R0.54 CC/C=C\CCOCCCCC(C)C 34a_100016288707_100011216152 [1,1,0,0,0,0|2,0,0]=4 9831 B13R0.54 CC/C=C\CCOCCCCC(C)C 7a_100011214890_100015370543 [1,1,0,0,0,0|2,0,0]=4 9832 B13R0.54 CC/C=C\CCOCCCCC(C)C 7a_100016288707_100011216152 [1,1,0,0,0,0|2,0,0]=4 9833 B13R0.54 CC/C=C\CCSCCCCC(C)C 62a_100011216152_100015370543 [1,1,0,0,0,0|2,0,0]=4 9834 B13R0.54 CC/C=C\CCSCCCCC(C)C 62a_100015370543_100011216152 [1,1,0,0,0,0|2,0,0]=4 9835 B13R0.54 CC/C=C\CNCCCCCC(C)C 2230a_100011290863_100103147603 [1,1,0,0,0,0|2,0,0]=4 9836 B13R0.54 CC/C=C\CNCCCCCC(C)C 34a_100011290863_100103147603 [1,1,0,0,0,0|2,0,0]=4 9837 B13R0.54 CC/C=C\COCCCCCC(C)C 34a_100011995859_100103147603 [1,1,0,0,0,0|2,0,0]=4 9838 B13R0.54 CC/C=C\COCCCCCC(C)C 34a_100016268518_100000210682 [1,1,0,0,0,0|2,0,0]=4 9839 B13R0.54 CC/C=C\COCCCCCC(C)C 7a_100011995859_100103147603 [1,1,0,0,0,0|2,0,0]=4 9840 B13R0.54 CC/C=C\CSCCCCCC(C)C 62a_100000210682_100103147603 [1,1,0,0,0,0|2,0,0]=4 9841 B13R0.54 CC/C=C\CSCCCCCC(C)C 62a_100103147603_100000210682 [1,1,0,0,0,0|2,0,0]=4 9842 B13R0.54 CCCCCCCCCC=CC(=O)C 1458a_200015352897_200000210301 [1,1,0,0,0,0|1,0,1]=4 9843 B13R0.54 CCCCCCCCCC=CC(=O)[13CH3] 1458a_200015352897_200025704644 [1,1,0,0,0,0|1,0,1]=4 9844 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100000684558_100000210206 [1,1,0,0,0,0|1,0,1]=4 9845 B13R0.54 CCCCCCCCCCNC(C)C 2230a_100138425928_100000210320 [1,1,0,0,0,0|1,0,1]=4 9846 B13R0.54 CCCCCCCCCCNC(C)C 34a_100000684558_100000210206 [1,1,0,0,0,0|1,0,1]=4 9847 B13R0.54 CCCCCCCCCCNC(C)C 34a_100138425928_100000210320 [1,1,0,0,0,0|1,0,1]=4 9848 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000210711_100000210206 [1,1,0,0,0,0|0,0,1]=3 9849 B13R0.54 CCCCCCCCCCOC(C)C 34a_100000212225_100000210320 [1,1,0,0,0,0|0,0,1]=3 9850 B13R0.54 CCCCCCCCCCOC(C)C 7a_100000210711_100000210206 [1,1,0,0,0,0|0,0,1]=3 9851 B13R0.54 CCCCCCCCCCSC(C)C 62a_100000210206_100000210320 [1,1,0,0,0,0|0,1,1]=4 9852 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000210953_100011214924 [1,1,0,0,0,0|2,0,0]=4 9853 B13R0.54 CCCCCCCCCNCC(C)C 2230a_100000212291_100000210760 [1,1,0,0,0,0|2,0,0]=4 9854 B13R0.54 CCCCCCCCCNCC(C)C 270004a_100000212291_100000210432 [1,1,0,0,0,0|2,0,0]=4 9855 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000210953_100011214924 [1,1,0,0,0,0|2,0,0]=4 9856 B13R0.54 CCCCCCCCCNCC(C)C 34a_100000212291_100000210624 [1,1,0,0,0,0|2,0,0]=4 9857 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000210904_100011214924 [1,1,0,0,0,0|2,0,0]=4 9858 B13R0.54 CCCCCCCCCNCC(C)O 2230a_100000212291_100011218427 [1,1,0,0,0,0|2,0,0]=4 9859 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000210904_100011214924 [1,1,0,0,0,0|2,0,0]=4 9860 B13R0.54 CCCCCCCCCNCC(C)O 34a_100000212291_100011218427 [1,1,0,0,0,0|2,0,0]=4 9861 B13R0.54 CCCCCCCCCNC[C@@H](C)O 2230a_100000212291_100009817552 [1,1,0,0,0,0|2,0,0]=4 9862 B13R0.54 CCCCCCCCCNC[C@@H](C)O 34a_100000212291_100009817552 [1,1,0,0,0,0|2,0,0]=4 9863 B13R0.54 CCCCCCCCCOCC(C)Br 34a_100012180447_100011214924 [1,1,0,0,0,0|2,0,0]=4 9864 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210257_100011214924 [1,1,0,0,0,0|2,0,0]=4 9865 B13R0.54 CCCCCCCCCOCC(C)C 34a_100000210712_100000210624 [1,1,0,0,0,0|2,0,0]=4 9866 B13R0.54 CCCCCCCCCOCC(C)C 7a_100000210712_100000210760 [1,1,0,0,0,0|2,0,0]=4 9867 B13R0.54 CCCCCCCCCOCC(C)F 34a_100015925927_100011214924 [1,1,0,0,0,0|2,0,0]=4 9868 B13R0.54 CCCCCCCCCOCC(C)O 34a_100000210712_100011218427 [1,1,0,0,0,0|2,0,0]=4 9869 B13R0.54 CCCCCCCCCOCC(C)O 7a_100000210712_100011218427 [1,1,0,0,0,0|2,0,0]=4 9870 B13R0.54 CCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100011214924 [1,1,0,0,0,0|2,0,0]=4 9871 B13R0.54 CCCCCCCCCOC[C@@H](C)N 34a_100000737577_100011214924 [1,1,0,0,0,0|2,0,0]=4 9872 B13R0.54 CCCCCCCCCOC[C@@H](C)O 34a_100000210712_100009817552 [1,1,0,0,0,0|2,0,0]=4 9873 B13R0.54 CCCCCCCCCOC[C@@H](C)O 7a_100000210712_100009817552 [1,1,0,0,0,0|2,0,0]=4 9874 B13R0.54 CCCCCCCCCSCC(C)C 62a_100000210624_100000210670 [1,1,0,0,0,0|2,0,0]=4 9875 B13R0.54 CCCCCCCCCSCC(C)O 62a_100011218427_100000210670 [1,1,0,0,0,0|2,0,0]=4 9876 B13R0.54 CCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210670 [1,1,0,0,0,0|2,0,0]=4 9877 B13R0.54 CCCCCCCCNCOC(C)C 2230a_100000229939_100000709892 [1,1,0,0,0,0|1,0,1]=4 9878 B13R0.54 CCCCCCCCNCOC(C)C 34a_100000229939_100000709892 [1,1,0,0,0,0|1,0,1]=4 9879 B13R0.54 CCCCCCCCOCOC(C)C 34a_100000210232_100000709892 [1,1,0,0,0,0|1,0,1]=4 9880 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000210759_100000709892 [1,1,0,0,0,0|1,0,1]=4 9881 B13R0.54 CCCCCCCCSCOC(C)C 62a_100000709892_100000210317 [1,1,0,0,0,0|1,0,1]=4 9882 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000229938_100000211751 [1,1,0,0,0,0|1,0,1]=4 9883 B13R0.54 CCCCCCCNCCOC(C)C 2230a_100000701111_100000210681 [1,1,0,0,0,0|1,0,1]=4 9884 B13R0.54 CCCCCCCNCCOC(C)C 34a_100000701111_100000210614 [1,1,0,0,0,0|1,0,1]=4 9885 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000210272_100000211751 [1,1,0,0,0,0|1,0,1]=4 9886 B13R0.54 CCCCCCCOCCOC(C)C 34a_100000211219_100000210614 [1,1,0,0,0,0|1,0,1]=4 9887 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000210272_100000211751 [1,1,0,0,0,0|1,0,1]=4 9888 B13R0.54 CCCCCCCOCCOC(C)C 7a_100000211219_100000210614 [1,1,0,0,0,0|1,0,1]=4 9889 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000210614_100000211751 [1,1,0,0,0,0|1,0,1]=4 9890 B13R0.54 CCCCCCCSCCOC(C)C 62a_100000211751_100000210316 [1,1,0,0,0,0|1,0,1]=4 9891 B13R0.54 CCCCCCNCCCOC(C)C 2230a_100000737246_100000210314 [1,1,0,0,0,0|1,0,1]=4 9892 B13R0.54 CCCCCCNCCCOC(C)C 34a_100000737246_100000210314 [1,1,0,0,0,0|1,0,1]=4 9893 B13R0.54 CCCOCCCCCCCC(C)C 34a_200000210741_100000210303 [1,1,0,0,0,0|2,0,0]=4 9894 B13R0.54 CCCOCCCCCCCC(C)C 7a_200000210741_100000210303 [1,1,0,0,0,0|2,0,0]=4 9895 B13R0.54 CCOCCCNCCCCC(C)C 2230a_100000210961_100011216152 [1,1,0,0,0,0|1,0,1]=4 9896 B13R0.54 CCOCCCNCCCCC(C)C 34a_100000210961_100011216152 [1,1,0,0,0,0|1,0,1]=4 9897 B13R0.54 CCOCCCOCCCCC(C)C 34a_100000757476_100011216152 [1,1,0,0,0,0|1,0,1]=4 9898 B13R0.54 CCOCCCOCCCCC(C)C 34a_100011214890_100012232248 [1,1,0,0,0,0|1,0,1]=4 9899 B13R0.54 CCOCCCOCCCCC(C)C 7a_100000757476_100011216152 [1,1,0,0,0,0|1,0,1]=4 9900 B13R0.54 CCOCCCOCCCCC(C)C 7a_100011214890_100012232248 [1,1,0,0,0,0|1,0,1]=4 9901 B13R0.54 CCOCCCSCCCCC(C)C 62a_100011216152_100012232248 [1,1,0,0,0,0|1,0,1]=4 9902 B13R0.54 CCOCCCSCCCCC(C)C 62a_100012232248_100011216152 [1,1,0,0,0,0|1,0,1]=4 9903 B13R0.54 CCOCCNCCCCCC(C)C 2230a_100011290863_100011215890 [1,1,0,0,0,0|1,0,1]=4 9904 B13R0.54 CCOCCNCCCCCC(C)C 2230a_102516460346_100000210682 [1,1,0,0,0,0|1,0,1]=4 9905 B13R0.54 CCOCCNCCCCCC(C)C 34a_100011290863_100000210147 [1,1,0,0,0,0|1,0,1]=4 9906 B13R0.54 CCOCCNCCCCCC(C)C 34a_102516460346_100000210682 [1,1,0,0,0,0|1,0,1]=4 9907 B13R0.54 CCOCCOCCCCCC(C)C 34a_100000210136_100000210682 [1,1,0,0,0,0|1,0,1]=4 9908 B13R0.54 CCOCCOCCCCCC(C)C 34a_100011995859_100000210147 [1,1,0,0,0,0|1,0,1]=4 9909 B13R0.54 CCOCCOCCCCCC(C)C 7a_100000210136_100000210682 [1,1,0,0,0,0|1,0,1]=4 9910 B13R0.54 CCOCCOCCCCCC(C)C 7a_100011995859_100011215890 [1,1,0,0,0,0|1,0,1]=4 9911 B13R0.54 CCOCCSCCCCCC(C)C 62a_100000210147_100000210682 [1,1,0,0,0,0|1,0,1]=4 9912 B13R0.54 CCOCCSCCCCCC(C)C 62a_100000210682_100011215890 [1,1,0,0,0,0|1,0,1]=4 9913 B13R0.147 CC/C=C\CCCCCNC(C)CC 269862a_100000209981_100016288537 [1,1,0,0,0,0|2,0,0]=4 9914 B13R0.147 CC/C=C\CCCCCOC(C)CC 34a_100016268722_100011215416 [1,1,0,0,0,0|2,0,0]=4 9915 B13R0.147 CC/C=C\CCCCCOC(C)CC 7a_100016268722_100000758301 [1,1,0,0,0,0|2,0,0]=4 9916 B13R0.147 CC/C=C\CCCCOCC(C)CC 34a_100016287862_100000748023 [1,1,0,0,0,0|2,0,0]=4 9917 B13R0.147 CC/C=C\CCCCOCC(C)CC 7a_100016287862_100000748023 [1,1,0,0,0,0|2,0,0]=4 9918 B13R0.147 CC/C=C\CCCCOCC(O)CC 34a_100016287862_100011218378 [1,1,0,0,0,0|2,0,0]=4 9919 B13R0.147 CC/C=C\CCCCOCC(O)CC 7a_100016287862_100011218378 [1,1,0,0,0,0|2,0,0]=4 9920 B13R0.147 CC/C=C\CCCCOC[C@@H](C)CC 34a_100016287862_100009816398 [1,1,0,0,0,0|2,0,0]=4 9921 B13R0.147 CC/C=C\CCCCOC[C@@H](C)CC 7a_100016287862_100009816398 [1,1,0,0,0,0|2,0,0]=4 9922 B13R0.147 CC/C=C\CCOCCCC(C)CC 7a_100011216074_100015370543 [1,1,0,0,0,0|2,0,0]=4 9923 B13R0.147 CCCCCCCCC=CC(=O)CC 1458a_100015345288_100000210202 [1,1,0,0,0,0|1,0,1]=4 9924 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210375_100000210202 [1,1,0,0,0,0|1,0,1]=4 9925 B13R0.147 CCCCCCCCCCC(=O)CC 1458a_100000210414_100000210319 [1,1,0,0,0,0|1,0,1]=4 9926 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000207566_100000210202 [1,1,0,0,0,0|1,0,1]=4 9927 B13R0.147 CCCCCCCCCCN(C)CC 2230a_100000225621_100000210320 [1,1,0,0,0,0|1,0,1]=4 9928 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000207566_100000204670 [1,1,0,0,0,0|1,0,1]=4 9929 B13R0.147 CCCCCCCCCCN(C)CC 269982a_100000225621_100000210320 [1,1,0,0,0,0|1,0,1]=4 9930 B13R0.147 CCCCCCCCCNC(=O)CC 11a_100000212291_100000210414 [1,1,0,0,0,0|2,0,0]=4 9931 B13R0.147 CCCCCCCCCNC(=O)CC 1626a_100000212291_100000210414 [1,1,0,0,0,0|2,0,0]=4 9932 B13R0.147 CCCCCCCCCNC(=O)CC 240690a_100000212291_100000210414 [1,1,0,0,0,0|2,0,0]=4 9933 B13R0.147 CCCCCCCCCNC(=O)CC 527a_100000212291_100000210414 [1,1,0,0,0,0|2,0,0]=4 9934 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000209981_100011214924 [1,1,0,0,0,0|2,0,0]=4 9935 B13R0.147 CCCCCCCCCNC(C)CC 2230a_100000212291_100000758301 [1,1,0,0,0,0|2,0,0]=4 9936 B13R0.147 CCCCCCCCCNC(C)CC 34a_100000212291_100011215416 [1,1,0,0,0,0|2,0,0]=4 9937 B13R0.147 CCCCCCCCCOC(C)CC 34a_100000210712_100011215416 [1,1,0,0,0,0|2,0,0]=4 9938 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210228_100000210328 [1,1,0,0,0,0|2,0,0]=4 9939 B13R0.147 CCCCCCCCCOC(C)CC 7a_100000210712_100000758301 [1,1,0,0,0,0|2,0,0]=4 9940 B13R0.147 CCCCCCCCCSC(C)CC 62a_100000758301_100000210670 [1,1,0,0,0,0|2,0,0]=4 9941 B13R0.147 CCOCCCOCCCC(C)CC 7a_100011216074_100012232248 [1,1,0,0,0,0|1,0,1]=4 9942 B13R0.165 CC/C=C\CCC(=O)CCCCCC 1458a_100102632555_100015370543 [1,1,0,0,0,0|1,0,1]=4 9943 B13R0.165 CC/C=C\CCN(C)CCCCCC 2230a_106256046315_100015370543 [1,1,0,0,0,0|2,0,0]=4 9944 B13R0.165 CC/C=C\CCN(C)CCCCCC 269982a_106256046315_100015370543 [1,1,0,0,0,0|2,0,0]=4 9945 B13R0.165 CC/C=C\CNC(C)CCCCCC 2230a_100000210919_100103147603 [1,1,0,0,0,0|2,0,0]=4 9946 B13R0.165 CC/C=C\CNC(C)CCCCCC 34a_100000210919_100103147603 [1,1,0,0,0,0|2,0,0]=4 9947 B13R0.165 CC/C=C\COC(C)CCCCCC 34a_100000210265_100103147603 [1,1,0,0,0,0|2,0,0]=4 9948 B13R0.165 CC/C=C\COC(C)CCCCCC 34a_100016268518_100011215978 [1,1,0,0,0,0|2,0,0]=4 9949 B13R0.165 CC/C=C\COC(C)CCCCCC 7a_100000210265_100103147603 [1,1,0,0,0,0|2,0,0]=4 9950 B13R0.165 CC/C=C\CSC(C)CCCCCC 62a_100011215978_100103147603 [1,1,0,0,0,0|2,0,0]=4 9951 B13R0.165 CC/C=C\CSC(C)CCCCCC 62a_100103147603_100011215978 [1,1,0,0,0,0|2,0,0]=4 9952 B13R0.165 CCCCCCC(=O)CCCOCC 1458a_100102632555_100012232248 [1,1,0,0,0,0|0,0,2]=4 9953 B13R0.165 CCCCCCC(C)CCOCCC 34a_200011024964_100000210303 [1,1,0,0,0,0|2,0,0]=4 9954 B13R0.165 CCCCCCC(C)CCOCCC 7a_200011024964_100000210303 [1,1,0,0,0,0|2,0,0]=4 9955 B13R0.165 CCCCCCC(C)NCCOCC 2230a_100000210919_100011215890 [1,1,0,0,0,0|1,0,1]=4 9956 B13R0.165 CCCCCCC(C)NCCOCC 2230a_102516460346_100011215978 [1,1,0,0,0,0|1,0,1]=4 9957 B13R0.165 CCCCCCC(C)NCCOCC 270004a_102516460346_100000210826 [1,1,0,0,0,0|1,0,1]=4 9958 B13R0.165 CCCCCCC(C)NCCOCC 34a_100000210919_100000210147 [1,1,0,0,0,0|1,0,1]=4 9959 B13R0.165 CCCCCCC(C)NCCOCC 34a_102516460346_100011215978 [1,1,0,0,0,0|1,0,1]=4 9960 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210136_100011215978 [1,1,0,0,0,0|1,0,1]=4 9961 B13R0.165 CCCCCCC(C)OCCOCC 34a_100000210265_100000210147 [1,1,0,0,0,0|1,0,1]=4 9962 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210136_100011215978 [1,1,0,0,0,0|1,0,1]=4 9963 B13R0.165 CCCCCCC(C)OCCOCC 7a_100000210265_100011215890 [1,1,0,0,0,0|1,0,1]=4 9964 B13R0.165 CCCCCCC(C)SCCOCC 62a_100000210147_100011215978 [1,1,0,0,0,0|1,0,1]=4 9965 B13R0.165 CCCCCCC(C)SCCOCC 62a_100011215978_100011215890 [1,1,0,0,0,0|1,0,1]=4 9966 B13R0.165 CCCCCCN(C)CCCOCC 2230a_106256046315_100012232248 [1,1,0,0,0,0|1,0,1]=4 9967 B13R0.165 CCCCCCN(C)CCCOCC 269982a_106256046315_100012232248 [1,1,0,0,0,0|1,0,1]=4 9968 B13R0.336 C#CCCCCCCCCCOCC 34a_100000034437_100000210202 [1,1,0,0,0,0|0,0,2]=4 9969 B13R0.336 C#CCCCCCCCCCOCC 7a_100000034437_100000210202 [1,1,0,0,0,0|0,0,2]=4 9970 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210247_100000210320 [1,1,0,0,0,0|0,0,2]=4 9971 B13R0.336 C#CCOCCCCCCCCCC 34a_100000210711_100000184674 [1,1,0,0,0,0|0,0,2]=4 9972 B13R0.336 C#CCOCCCCCCCCCC 7a_100000210711_100000038162 [1,1,0,0,0,0|0,0,2]=4 9973 B13R0.336 C=CCCCCCCCCCOCC 34a_100000038209_100000210202 [1,1,0,0,0,0|0,0,2]=4 9974 B13R0.336 C=CCCCCCCCCCOCC 34a_100121572206_100009814027 [1,1,0,0,0,0|0,0,2]=4 9975 B13R0.336 C=CCCCCCCCCCOCC 7a_100000038209_100000210202 [1,1,0,0,0,0|0,0,2]=4 9976 B13R0.336 C=CCOCCCCCCCCCC 34a_100000210711_100015514636 [1,1,0,0,0,0|0,0,2]=4 9977 B13R0.336 C=CCOCCCCCCCCCC 34a_200000210373_100000210320 [1,1,0,0,0,0|0,0,2]=4 9978 B13R0.336 C=CCOCCCCCCCCCC 7a_100000210711_100015514636 [1,1,0,0,0,0|0,0,2]=4 9979 B13R0.336 CC/C=C/CCCOCCCCCC 34a_100016287902_100000210314 [1,1,0,0,0,0|1,0,0]=3 9980 B13R0.336 CC/C=C/CCCOCCCCCC 7a_100016287902_100000210314 [1,1,0,0,0,0|1,0,0]=3 9981 B13R0.336 CC/C=C/CCCOCCCCCF 34a_100016287902_100000729378 [1,1,0,0,0,0|2,0,0]=4 9982 B13R0.336 CC/C=C/CCCOCCCCCF 7a_100016287902_100000729378 [1,1,0,0,0,0|2,0,0]=4 9983 B13R0.336 CC/C=C/CCCOCCCCCO 34a_100016287902_100000746330 [1,1,0,0,0,0|2,0,0]=4 9984 B13R0.336 CC/C=C/CCCOCCCCCO 7a_100016287902_100000746330 [1,1,0,0,0,0|2,0,0]=4 9985 B13R0.336 CC/C=C/CCCOCCCCOC 34a_100016287902_100000755781 [1,1,0,0,0,0|2,0,0]=4 9986 B13R0.336 CC/C=C/CCCOCCCCOC 7a_100016287902_100000730899 [1,1,0,0,0,0|2,0,0]=4 9987 B13R0.336 CC/C=C/CCCOCCCOCC 34a_100016287902_100012232248 [1,1,0,0,0,0|2,0,0]=4 9988 B13R0.336 CC/C=C/CCCOCCCOCC 7a_100016287902_100012232248 [1,1,0,0,0,0|2,0,0]=4 9989 B13R0.336 CC/C=C/CCCOCCOCCC 34a_100016287902_100011215938 [1,1,0,0,0,0|2,0,0]=4 9990 B13R0.336 CC/C=C/CCCOCCOCCC 7a_100016287902_100011215938 [1,1,0,0,0,0|2,0,0]=4 9991 B13R0.336 CC/C=C/CCCOCOCCCC 34a_100016287902_100011995733 [1,1,0,0,0,0|2,0,0]=4 9992 B13R0.336 CC/C=C\CCCCCCCNCC 269862a_100015525214_200025770492 [1,1,0,0,0,0|1,0,0]=3 9993 B13R0.336 CC/C=C\CCCCCNCCCC 269862a_100000102301_100016288537 [1,1,0,0,0,0|1,0,0]=3 9994 B13R0.336 CC/C=C\CCCCCNCCCF 269862a_100015189416_100016288537 [1,1,0,0,0,0|2,0,0]=4 9995 B13R0.336 CC/C=C\CCCCCNCCCO 269862a_100000182051_100016288537 [1,1,0,0,0,0|2,0,0]=4 9996 B13R0.336 CC/C=C\CCCCCNCCOC 269862a_100000209980_100016288537 [1,1,0,0,0,0|2,0,0]=4 9997 B13R0.336 CC/C=C\CCCCCNCCSC 269862a_100020590264_100016288537 [1,1,0,0,0,0|2,0,0]=4 9998 B13R0.336 CC/C=C\CCCCCOCCCC 34a_100016268722_100000210210 [1,1,0,0,0,0|1,0,0]=3 9999 B13R0.336 CC/C=C\CCCCCOCCCC 7a_100016268722_100000210211 [1,1,0,0,0,0|1,0,0]=3 10000 B13R0.336 CC/C=C\CCCCCOCCCF 34a_100016268722_100011934791 [1,1,0,0,0,0|2,0,0]=4 10001 B13R0.336 CC/C=C\CCCCCOCCCF 7a_100016268722_100011934791 [1,1,0,0,0,0|2,0,0]=4 10002 B13R0.336 CC/C=C\CCCCCOCCCO 34a_100016268722_100000230001 [1,1,0,0,0,0|2,0,0]=4 10003 B13R0.336 CC/C=C\CCCCCOCCCO 7a_100016268722_100011215043 [1,1,0,0,0,0|2,0,0]=4 10004 B13R0.336 CC/C=C\CCCCCOCCOC 34a_100016268722_100011201679 [1,1,0,0,0,0|2,0,0]=4 10005 B13R0.336 CC/C=C\CCCCCOCCOC 7a_100016268722_100000233755 [1,1,0,0,0,0|2,0,0]=4 10006 B13R0.336 CC/C=C\CCCCCOCCSC 34a_100016268722_100000212216 [1,1,0,0,0,0|2,0,0]=4 10007 B13R0.336 CC/C=C\CCCCCOCCSC 7a_100016268722_100000212216 [1,1,0,0,0,0|2,0,0]=4 10008 B13R0.336 CC/C=C\CCCCOCCCCC 34a_100016287862_100000718602 [1,1,0,0,0,0|1,0,0]=3 10009 B13R0.336 CC/C=C\CCCCOCCCCC 7a_100016287862_100000210326 [1,1,0,0,0,0|1,0,0]=3 10010 B13R0.336 CC/C=C\CCCCOCCCCF 34a_100016287862_100000729493 [1,1,0,0,0,0|2,0,0]=4 10011 B13R0.336 CC/C=C\CCCCOCCCCF 7a_100016287862_100000729493 [1,1,0,0,0,0|2,0,0]=4 10012 B13R0.336 CC/C=C\CCCCOCCCCO 34a_100016287862_100011216708 [1,1,0,0,0,0|2,0,0]=4 10013 B13R0.336 CC/C=C\CCCCOCCCCO 7a_100016287862_100000210776 [1,1,0,0,0,0|2,0,0]=4 10014 B13R0.336 CC/C=C\CCCCOCCCOC 34a_100016287862_100000740836 [1,1,0,0,0,0|2,0,0]=4 10015 B13R0.336 CC/C=C\CCCCOCCCOC 7a_100016287862_100000740836 [1,1,0,0,0,0|2,0,0]=4 10016 B13R0.336 CC/C=C\CCCCOCCOCC 34a_100016287862_100000210147 [1,1,0,0,0,0|2,0,0]=4 10017 B13R0.336 CC/C=C\CCCCOCCOCC 7a_100016287862_100011215890 [1,1,0,0,0,0|2,0,0]=4 10018 B13R0.336 CC/C=C\CCCCOCCSCC 34a_100016287862_100000757381 [1,1,0,0,0,0|2,0,0]=4 10019 B13R0.336 CC/C=C\CCCCOCCSCC 7a_100016287862_100000757381 [1,1,0,0,0,0|2,0,0]=4 10020 B13R0.336 CC/C=C\CCNCCCCCCC 2230a_100000229938_100015370543 [1,1,0,0,0,0|1,0,0]=3 10021 B13R0.336 CC/C=C\CCNCCCCCCO 2230a_100000686447_100015370543 [1,1,0,0,0,0|2,0,0]=4 10022 B13R0.336 CC/C=C\CCNCCCCCCO 34a_100000686447_100015370543 [1,1,0,0,0,0|2,0,0]=4 10023 B13R0.336 CC/C=C\CCNCCCCCOC 2230a_100000747528_100015370543 [1,1,0,0,0,0|2,0,0]=4 10024 B13R0.336 CC/C=C\CCNCCCCCOC 34a_100000747528_100015370543 [1,1,0,0,0,0|2,0,0]=4 10025 B13R0.336 CC/C=C\CCNCCCOCCC 2230a_100011217757_100015370543 [1,1,0,0,0,0|2,0,0]=4 10026 B13R0.336 CC/C=C\CCNCCCOCCC 34a_100011217757_100015370543 [1,1,0,0,0,0|2,0,0]=4 10027 B13R0.336 CC/C=C\CCNCCSCCCC 2230a_100025743550_100015370543 [1,1,0,0,0,0|2,0,0]=4 10028 B13R0.336 CC/C=C\CCOCCCCCCBr 34a_100011215345_100015370543 [1,1,0,0,0,0|2,0,0]=4 10029 B13R0.336 CC/C=C\CCOCCCCCCBr 7a_100011215345_100015370543 [1,1,0,0,0,0|2,0,0]=4 10030 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100000210272_100015370543 [1,1,0,0,0,0|1,0,0]=3 10031 B13R0.336 CC/C=C\CCOCCCCCCC 34a_100016288707_100000210614 [1,1,0,0,0,0|1,0,0]=3 10032 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100000210272_100015370543 [1,1,0,0,0,0|1,0,0]=3 10033 B13R0.336 CC/C=C\CCOCCCCCCC 7a_100016288707_100000210614 [1,1,0,0,0,0|1,0,0]=3 10034 B13R0.336 CC/C=C\CCOCCCCCCCl 34a_100000766143_100015370543 [1,1,0,0,0,0|2,0,0]=4 10035 B13R0.336 CC/C=C\CCOCCCCCCCl 7a_100000766143_100015370543 [1,1,0,0,0,0|2,0,0]=4 10036 B13R0.336 CC/C=C\CCOCCCCCCF 34a_100000732779_100015370543 [1,1,0,0,0,0|2,0,0]=4 10037 B13R0.336 CC/C=C\CCOCCCCCCF 34a_100016288707_100015922095 [1,1,0,0,0,0|2,0,0]=4 10038 B13R0.336 CC/C=C\CCOCCCCCCF 7a_100000732779_100015370543 [1,1,0,0,0,0|2,0,0]=4 10039 B13R0.336 CC/C=C\CCOCCCCCCF 7a_100016288707_100015922095 [1,1,0,0,0,0|2,0,0]=4 10040 B13R0.336 CC/C=C\CCOCCCCCCN 34a_100000686447_100015370543 [1,1,0,0,0,0|2,0,0]=4 10041 B13R0.336 CC/C=C\CCOCCCCCCO 34a_100016288707_100000766143 [1,1,0,0,0,0|2,0,0]=4 10042 B13R0.336 CC/C=C\CCOCCCCCCO 7a_100016288707_100000766143 [1,1,0,0,0,0|2,0,0]=4 10043 B13R0.336 CC/C=C\CCOCCCCCNC 34a_100000722520_100015370543 [1,1,0,0,0,0|2,0,0]=4 10044 B13R0.336 CC/C=C\CCOCCOCCCC 34a_100000210238_100015370543 [1,1,0,0,0,0|2,0,0]=4 10045 B13R0.336 CC/C=C\CCOCCOCCCC 34a_100016288707_100000743108 [1,1,0,0,0,0|2,0,0]=4 10046 B13R0.336 CC/C=C\CCOCCOCCCC 7a_100000210238_100015370543 [1,1,0,0,0,0|2,0,0]=4 10047 B13R0.336 CC/C=C\CCOCCOCCCC 7a_100016288707_100000743108 [1,1,0,0,0,0|2,0,0]=4 10048 B13R0.336 CC/C=C\CCOCCSCCCC 34a_200000230436_100015370543 [1,1,0,0,0,0|2,0,0]=4 10049 B13R0.336 CC/C=C\CCOCCSCCCC 7a_200000230436_100015370543 [1,1,0,0,0,0|2,0,0]=4 10050 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100000210614_100015370543 [1,1,0,0,0,0|1,0,0]=3 10051 B13R0.336 CC/C=C\CCSCCCCCCC 62a_100015370543_100000210316 [1,1,0,0,0,0|1,0,0]=3 10052 B13R0.336 CC/C=C\CCSCCCCCCF 62a_100015370543_100015922095 [1,1,0,0,0,0|2,0,0]=4 10053 B13R0.336 CC/C=C\CCSCCCCCCF 62a_100015922095_100015370543 [1,1,0,0,0,0|2,0,0]=4 10054 B13R0.336 CC/C=C\CCSCCCCCCO 62a_100000766143_100015370543 [1,1,0,0,0,0|2,0,0]=4 10055 B13R0.336 CC/C=C\CCSCCCCCCO 62a_100015370543_100000766143 [1,1,0,0,0,0|2,0,0]=4 10056 B13R0.336 CC/C=C\CCSCCOCCCC 62a_100000743108_100015370543 [1,1,0,0,0,0|2,0,0]=4 10057 B13R0.336 CC/C=C\CCSCCOCCCC 62a_100015370543_100000743108 [1,1,0,0,0,0|2,0,0]=4 10058 B13R0.336 CC/C=C\CNCCCCCCCC 2230a_100000229939_100103147603 [1,1,0,0,0,0|1,0,0]=3 10059 B13R0.336 CC/C=C\CNCCCCCCCC 34a_100000229939_100103147603 [1,1,0,0,0,0|1,0,0]=3 10060 B13R0.336 CC/C=C\CNCCCCCCCO 2230a_100011996573_100103147603 [1,1,0,0,0,0|2,0,0]=4 10061 B13R0.336 CC/C=C\CNCCCCCCCO 34a_100011996573_100103147603 [1,1,0,0,0,0|2,0,0]=4 10062 B13R0.336 CC/C=C\CNCCCOCCCC 2230a_200000211371_100103147603 [1,1,0,0,0,0|2,0,0]=4 10063 B13R0.336 CC/C=C\CNCCCOCCCC 34a_200000211371_100103147603 [1,1,0,0,0,0|2,0,0]=4 10064 B13R0.336 CC/C=C\COCCCCCCCBr 34a_100000760002_100103147603 [1,1,0,0,0,0|2,0,0]=4 10065 B13R0.336 CC/C=C\COCCCCCCCBr 7a_100000760002_100103147603 [1,1,0,0,0,0|2,0,0]=4 10066 B13R0.336 CC/C=C\COCCCCCCCC 34a_100000210232_100103147603 [1,1,0,0,0,0|1,0,0]=3 10067 B13R0.336 CC/C=C\COCCCCCCCC 34a_100016268518_100000210759 [1,1,0,0,0,0|1,0,0]=3 10068 B13R0.336 CC/C=C\COCCCCCCCC 7a_100000210232_100103147603 [1,1,0,0,0,0|1,0,0]=3 10069 B13R0.336 CC/C=C\COCCCCCCCN 34a_100011996573_100103147603 [1,1,0,0,0,0|2,0,0]=4 10070 B13R0.336 CC/C=C\COCCCCCCCO 34a_100016268518_100000760002 [1,1,0,0,0,0|2,0,0]=4 10071 B13R0.336 CC/C=C\COCCCCCCOC 34a_100016268518_100011998445 [1,1,0,0,0,0|2,0,0]=4 10072 B13R0.336 CC/C=C\COCCCCCCOC 34a_200012092642_100103147603 [1,1,0,0,0,0|2,0,0]=4 10073 B13R0.336 CC/C=C\COCCCCCCOC 7a_200012092642_100103147603 [1,1,0,0,0,0|2,0,0]=4 10074 B13R0.336 CC/C=C\COCCCOCCCC 34a_200011215613_100103147603 [1,1,0,0,0,0|2,0,0]=4 10075 B13R0.336 CC/C=C\COCCCOCCCC 7a_200011215613_100103147603 [1,1,0,0,0,0|2,0,0]=4 10076 B13R0.336 CC/C=C\COCCNCCCCC 34a_100000224656_100103147603 [1,1,0,0,0,0|2,0,0]=4 10077 B13R0.336 CC/C=C\COCCOCCCCC 34a_100011215259_100103147603 [1,1,0,0,0,0|2,0,0]=4 10078 B13R0.336 CC/C=C\COCCOCCCCC 7a_100011215259_100103147603 [1,1,0,0,0,0|2,0,0]=4 10079 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100000210759_100103147603 [1,1,0,0,0,0|1,0,0]=3 10080 B13R0.336 CC/C=C\CSCCCCCCCC 62a_100103147603_100000210317 [1,1,0,0,0,0|1,0,0]=3 10081 B13R0.336 CC/C=C\CSCCCCCCCO 62a_100000760002_100103147603 [1,1,0,0,0,0|2,0,0]=4 10082 B13R0.336 CC/C=C\CSCCCCCCCO 62a_100103147603_100000760002 [1,1,0,0,0,0|2,0,0]=4 10083 B13R0.336 CC/C=C\CSCCCCCCOC 62a_100011998445_100103147603 [1,1,0,0,0,0|2,0,0]=4 10084 B13R0.336 CC/C=C\CSCCCCCCOC 62a_100103147603_100011998445 [1,1,0,0,0,0|2,0,0]=4 10085 B13R0.336 CC=C=CCCOCCCCCCC 34a_100011020354_100000210614 [1,1,0,0,0,0|1,0,1]=4 10086 B13R0.336 CCC#CCCCCCCCCOC 34a_200000031908_200000210301 [1,1,0,0,0,0|1,0,1]=4 10087 B13R0.336 CCC#CCCCCCCCCOC 7a_200000031908_200000210301 [1,1,0,0,0,0|1,0,1]=4 10088 B13R0.336 CCC#CCCCCCCCCO[13CH3] 34a_200000031908_200025704644 [1,1,0,0,0,0|1,0,1]=4 10089 B13R0.336 CCC#CCCCCCCCCO[13CH3] 7a_200000031908_200025704644 [1,1,0,0,0,0|1,0,1]=4 10090 B13R0.336 CCC#CCCCCCCOCCC 34a_100000210258_200000036426 [1,1,0,0,0,0|1,0,1]=4 10091 B13R0.336 CCC#CCCCCCCSCCC 62a_100000210303_200000036426 [1,1,0,0,0,0|1,0,1]=4 10092 B13R0.336 CCC#CCCCCCCSCCC 62a_200000036426_100000210303 [1,1,0,0,0,0|1,0,1]=4 10093 B13R0.336 CCC#CCCOCCCCCCC 34a_100000036655_100000210614 [1,1,0,0,0,0|1,0,1]=4 10094 B13R0.336 CCC#CCCOCCCCCCC 7a_100000036655_100000210614 [1,1,0,0,0,0|1,0,1]=4 10095 B13R0.336 CCC#CCNCCCCCCCC 2230a_100000229939_100009813939 [1,1,0,0,0,0|1,0,1]=4 10096 B13R0.336 CCC#CCNCCCCCCCC 34a_100000229939_100009813939 [1,1,0,0,0,0|1,0,1]=4 10097 B13R0.336 CCC#CCOCCCCCCCC 34a_100000032950_100000210759 [1,1,0,0,0,0|1,0,1]=4 10098 B13R0.336 CCC#CCOCCCCCCCC 34a_100000210232_100009813939 [1,1,0,0,0,0|1,0,1]=4 10099 B13R0.336 CCC#CCOCCCCCCCC 7a_100000210232_100009813939 [1,1,0,0,0,0|1,0,1]=4 10100 B13R0.336 CCC#CCSCCCCCCCC 62a_100000210759_100009813939 [1,1,0,0,0,0|1,0,1]=4 10101 B13R0.336 CCC#CCSCCCCCCCC 62a_100009813939_100000210317 [1,1,0,0,0,0|1,0,1]=4 10102 B13R0.336 CCC/C=C/COCCCCCCC 34a_100016278788_100000210614 [1,1,0,0,0,0|1,0,1]=4 10103 B13R0.336 CCC/C=C/COCCCCCCC 7a_100016278788_100000210614 [1,1,0,0,0,0|1,0,1]=4 10104 B13R0.336 CCCCCCCC/C=C/COCC 34a_200020667288_100000210202 [1,1,0,0,0,0|0,0,1]=3 10105 B13R0.336 CCCCCCCC/C=C/COCC 7a_200020667288_100000210202 [1,1,0,0,0,0|0,0,1]=3 10106 B13R0.336 CCCCCCCC/C=C/COCF 34a_200020667288_100015361967 [1,1,0,0,0,0|1,0,1]=4 10107 B13R0.336 CCCCCCCC/C=C/COCF 7a_200020667288_100015361967 [1,1,0,0,0,0|1,0,1]=4 10108 B13R0.336 CCCCCCCCC/C=C/COC 34a_100015232335_200000210301 [1,1,0,0,0,0|1,0,0]=3 10109 B13R0.336 CCCCCCCCC/C=C/COC 7a_100015232335_200000210301 [1,1,0,0,0,0|1,0,0]=3 10110 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 34a_100015232335_200025704644 [1,1,0,0,0,0|1,0,0]=3 10111 B13R0.336 CCCCCCCCC/C=C/CO[13CH3] 7a_100015232335_200025704644 [1,1,0,0,0,0|1,0,0]=3 10112 B13R0.336 CCCCCCCCCC=NNCC 4a_100000756455_100000210895 [1,1,0,0,0,0|1,0,0]=3 10113 B13R0.336 CCCCCCCCCCCCNC 2230a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 10114 B13R0.336 CCCCCCCCCCCCNC 2230a_106832991635_100011215052 [1,1,0,0,0,0|1,0,1]=4 10115 B13R0.336 CCCCCCCCCCCCNC 270004a_106832991635_100011218549 [1,1,0,0,0,0|1,0,1]=4 10116 B13R0.336 CCCCCCCCCCCCNC 34a_100000210451_200000210301 [1,1,0,0,0,0|1,0,1]=4 10117 B13R0.336 CCCCCCCCCCCCNC 34a_100102657272_100000759014 [1,1,0,0,0,0|1,0,1]=4 10118 B13R0.336 CCCCCCCCCCCCNC 7a_106832991635_100000759014 [1,1,0,0,0,0|1,0,1]=4 10119 B13R0.336 CCCCCCCCCCCCN[13CH3] 2230a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 10120 B13R0.336 CCCCCCCCCCCCN[13CH3] 34a_100000210451_200025704644 [1,1,0,0,0,0|1,0,1]=4 10121 B13R0.336 CCCCCCCCCCCCOC 34a_100000210810_200000210301 [1,1,0,0,0,0|1,0,1]=4 10122 B13R0.336 CCCCCCCCCCCCOC 34a_100138415774_100000759014 [1,1,0,0,0,0|1,0,1]=4 10123 B13R0.336 CCCCCCCCCCCCOC 7a_100000210810_200000210301 [1,1,0,0,0,0|1,0,1]=4 10124 B13R0.336 CCCCCCCCCCCCO[13CH3] 34a_100000210810_200025704644 [1,1,0,0,0,0|1,0,1]=4 10125 B13R0.336 CCCCCCCCCCCCO[13CH3] 7a_100000210810_200025704644 [1,1,0,0,0,0|1,0,1]=4 10126 B13R0.336 CCCCCCCCCCCCSC 62a_200000210301_100000759014 [1,1,0,0,0,0|1,0,1]=4 10127 B13R0.336 CCCCCCCCCCCCS[13CH3] 62a_200025704644_100000759014 [1,1,0,0,0,0|1,0,1]=4 10128 B13R0.336 CCCCCCCCCCCNCC 2230a_100015525214_100011215454 [1,1,0,0,0,0|1,0,1]=4 10129 B13R0.336 CCCCCCCCCCCNCC 2230a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 10130 B13R0.336 CCCCCCCCCCCNCC 34a_200011215754_100000210202 [1,1,0,0,0,0|1,0,1]=4 10131 B13R0.336 CCCCCCCCCCCOCC 34a_100000210809_100000210202 [1,1,0,0,0,0|0,0,1]=3 10132 B13R0.336 CCCCCCCCCCCOCC 34a_100121572206_100011215454 [1,1,0,0,0,0|0,0,1]=3 10133 B13R0.336 CCCCCCCCCCCOCC 7a_100000210809_100000210202 [1,1,0,0,0,0|0,0,1]=3 10134 B13R0.336 CCCCCCCCCCCOCF 34a_100000210809_100015361967 [1,1,0,0,0,0|1,0,1]=4 10135 B13R0.336 CCCCCCCCCCCOCF 7a_100000210809_100015361967 [1,1,0,0,0,0|1,0,1]=4 10136 B13R0.336 CCCCCCCCCCCSCC 62a_100000210202_100011215454 [1,1,0,0,0,0|0,1,1]=4 10137 B13R0.336 CCCCCCCCCCNCCC 2230a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 10138 B13R0.336 CCCCCCCCCCNCCC 34a_100000684558_100000210303 [1,1,0,0,0,0|1,0,1]=4 10139 B13R0.336 CCCCCCCCCCNCCF 2230a_100000684558_100011217306 [1,1,0,0,0,0|1,0,1]=4 10140 B13R0.336 CCCCCCCCCCNCCF 34a_100000684558_100011217306 [1,1,0,0,0,0|1,0,1]=4 10141 B13R0.336 CCCCCCCCCCNCCF 34a_100000724931_100000210320 [1,1,0,0,0,0|1,0,1]=4 10142 B13R0.336 CCCCCCCCCCNCCO 2230a_100000684558_100000211926 [1,1,0,0,0,0|1,0,1]=4 10143 B13R0.336 CCCCCCCCCCNCCO 2230a_100016997473_100000210320 [1,1,0,0,0,0|1,0,1]=4 10144 B13R0.336 CCCCCCCCCCNCCO 34a_100000684558_100000211926 [1,1,0,0,0,0|1,0,1]=4 10145 B13R0.336 CCCCCCCCCCNCCO 34a_100016990907_100000210320 [1,1,0,0,0,0|1,0,1]=4 10146 B13R0.336 CCCCCCCCCCNCOC 2230a_100000684558_100000766300 [1,1,0,0,0,0|1,0,1]=4 10147 B13R0.336 CCCCCCCCCCNCSC 2230a_100000684558_100011218213 [1,1,0,0,0,0|1,0,1]=4 10148 B13R0.336 CCCCCCCCCCNCSC 34a_100000684558_100011218213 [1,1,0,0,0,0|1,0,1]=4 10149 B13R0.336 CCCCCCCCCCOCC#N 7a_100000210711_100011215382 [1,1,0,0,0,0|0,0,2]=4 10150 B13R0.336 CCCCCCCCCCOCC=O 34a_100000210711_200009817547 [1,1,0,0,0,0|0,0,2]=4 10151 B13R0.336 CCCCCCCCCCOCC=O 7a_100000210711_200015260668 [1,1,0,0,0,0|0,0,2]=4 10152 B13R0.336 CCCCCCCCCCOCCBr 34a_100000211926_100000210320 [1,1,0,0,0,0|0,0,1]=3 10153 B13R0.336 CCCCCCCCCCOCCC 34a_100000210258_100000210320 [1,1,0,0,0,0|0,0,1]=3 10154 B13R0.336 CCCCCCCCCCOCCC 34a_100000210711_100000210303 [1,1,0,0,0,0|0,0,1]=3 10155 B13R0.336 CCCCCCCCCCOCCC 7a_100000210711_100000210303 [1,1,0,0,0,0|0,0,1]=3 10156 B13R0.336 CCCCCCCCCCOCCF 34a_100000210711_100011217306 [1,1,0,0,0,0|0,0,1]=3 10157 B13R0.336 CCCCCCCCCCOCCF 7a_100000210711_100011217306 [1,1,0,0,0,0|0,0,1]=3 10158 B13R0.336 CCCCCCCCCCOCCN 34a_100000210304_100000210320 [1,1,0,0,0,0|0,0,1]=3 10159 B13R0.336 CCCCCCCCCCOCCO 34a_100000210711_100000211926 [1,1,0,0,0,0|0,0,1]=3 10160 B13R0.336 CCCCCCCCCCOCCO 7a_100000210711_100000211926 [1,1,0,0,0,0|0,0,1]=3 10161 B13R0.336 CCCCCCCCCCOCSC 34a_100000210711_100011218213 [1,1,0,0,0,0|0,0,1]=3 10162 B13R0.336 CCCCCCCCCCSCCC 62a_100000210303_100000210320 [1,1,0,0,0,0|0,1,1]=4 10163 B13R0.336 CCCCCCCCCCSCCF 62a_100011217306_100000210320 [1,1,0,0,0,0|0,1,1]=4 10164 B13R0.336 CCCCCCCCCCSCCO 62a_100000211926_100000210320 [1,1,0,0,0,0|0,1,1]=4 10165 B13R0.336 CCCCCCCCCCSCOC 62a_100000766300_100000210320 [1,1,0,0,0,0|0,1,1]=4 10166 B13R0.336 CCCCCCCCCCSCSC 62a_100011218213_100000210320 [1,1,0,0,0,0|0,1,1]=4 10167 B13R0.336 CCCCCCCCCNCCCC 2230a_100000102301_100011214924 [1,1,0,0,0,0|1,0,1]=4 10168 B13R0.336 CCCCCCCCCNCCCC 2230a_100000212291_100000210211 [1,1,0,0,0,0|1,0,1]=4 10169 B13R0.336 CCCCCCCCCNCCCC 34a_100000212291_100000210210 [1,1,0,0,0,0|1,0,1]=4 10170 B13R0.336 CCCCCCCCCNCCCC 7a_106832991798_100000210328 [1,1,0,0,0,0|1,0,1]=4 10171 B13R0.336 CCCCCCCCCNCCCF 2230a_100000212291_100011934791 [1,1,0,0,0,0|2,0,0]=4 10172 B13R0.336 CCCCCCCCCNCCCF 2230a_100015189416_100011214924 [1,1,0,0,0,0|2,0,0]=4 10173 B13R0.336 CCCCCCCCCNCCCF 34a_100000212291_100011934791 [1,1,0,0,0,0|2,0,0]=4 10174 B13R0.336 CCCCCCCCCNCCCF 34a_100015189416_100011214924 [1,1,0,0,0,0|2,0,0]=4 10175 B13R0.336 CCCCCCCCCNCCCO 2230a_100000212291_100000230001 [1,1,0,0,0,0|2,0,0]=4 10176 B13R0.336 CCCCCCCCCNCCCO 34a_100000212291_100000230001 [1,1,0,0,0,0|2,0,0]=4 10177 B13R0.336 CCCCCCCCCNCCOC 2230a_100000209980_100011214924 [1,1,0,0,0,0|2,0,0]=4 10178 B13R0.336 CCCCCCCCCNCCOC 2230a_100000212291_100011201679 [1,1,0,0,0,0|2,0,0]=4 10179 B13R0.336 CCCCCCCCCNCCOC 34a_100000212291_100011201679 [1,1,0,0,0,0|2,0,0]=4 10180 B13R0.336 CCCCCCCCCNCCSC 2230a_100000212291_100000751147 [1,1,0,0,0,0|2,0,0]=4 10181 B13R0.336 CCCCCCCCCNCCSC 2230a_100020590264_100011214924 [1,1,0,0,0,0|2,0,0]=4 10182 B13R0.336 CCCCCCCCCNCCSC 34a_100000212291_100000212216 [1,1,0,0,0,0|2,0,0]=4 10183 B13R0.336 CCCCCCCCCOCCCBr 34a_100011217188_100011214924 [1,1,0,0,0,0|2,0,0]=4 10184 B13R0.336 CCCCCCCCCOCCCC 34a_100000210227_100011214924 [1,1,0,0,0,0|1,0,1]=4 10185 B13R0.336 CCCCCCCCCOCCCC 34a_100000210712_100000210210 [1,1,0,0,0,0|1,0,1]=4 10186 B13R0.336 CCCCCCCCCOCCCC 7a_100000210227_100000210328 [1,1,0,0,0,0|1,0,1]=4 10187 B13R0.336 CCCCCCCCCOCCCC 7a_100000210712_100000210211 [1,1,0,0,0,0|1,0,1]=4 10188 B13R0.336 CCCCCCCCCOCCCCl 34a_100000230001_100011214924 [1,1,0,0,0,0|2,0,0]=4 10189 B13R0.336 CCCCCCCCCOCCCF 34a_100000210712_100011934791 [1,1,0,0,0,0|2,0,0]=4 10190 B13R0.336 CCCCCCCCCOCCCF 34a_100000759539_100011214924 [1,1,0,0,0,0|2,0,0]=4 10191 B13R0.336 CCCCCCCCCOCCCF 7a_100000210712_100011934791 [1,1,0,0,0,0|2,0,0]=4 10192 B13R0.336 CCCCCCCCCOCCCN 34a_100000182051_100011214924 [1,1,0,0,0,0|2,0,0]=4 10193 B13R0.336 CCCCCCCCCOCCCO 34a_100000210712_100000230001 [1,1,0,0,0,0|2,0,0]=4 10194 B13R0.336 CCCCCCCCCOCCCO 7a_100000210712_100011215043 [1,1,0,0,0,0|2,0,0]=4 10195 B13R0.336 CCCCCCCCCOCCOC 34a_100000210237_100011214924 [1,1,0,0,0,0|2,0,0]=4 10196 B13R0.336 CCCCCCCCCOCCOC 34a_100000210712_100011201679 [1,1,0,0,0,0|2,0,0]=4 10197 B13R0.336 CCCCCCCCCOCCOC 7a_100000210712_100000233755 [1,1,0,0,0,0|2,0,0]=4 10198 B13R0.336 CCCCCCCCCOCCSC 34a_100000210712_100000212216 [1,1,0,0,0,0|2,0,0]=4 10199 B13R0.336 CCCCCCCCCOCCSC 34a_100000230434_100011214924 [1,1,0,0,0,0|2,0,0]=4 10200 B13R0.336 CCCCCCCCCOCCSC 7a_100000210712_100000212216 [1,1,0,0,0,0|2,0,0]=4 10201 B13R0.336 CCCCCCCCCOCCSC 7a_100000230434_100000210328 [1,1,0,0,0,0|2,0,0]=4 10202 B13R0.336 CCCCCCCCCSCCCC 62a_100000210211_100000210670 [1,1,0,0,0,0|1,0,1]=4 10203 B13R0.336 CCCCCCCCCSCCCF 62a_100011934791_100000210670 [1,1,0,0,0,0|2,0,0]=4 10204 B13R0.336 CCCCCCCCCSCCCO 62a_100011215043_100000210670 [1,1,0,0,0,0|2,0,0]=4 10205 B13R0.336 CCCCCCCCCSCCOC 62a_100000233755_100000210670 [1,1,0,0,0,0|2,0,0]=4 10206 B13R0.336 CCCCCCCCCSCCSC 62a_100000212216_100000210670 [1,1,0,0,0,0|2,0,0]=4 10207 B13R0.336 CCCCCCCCCSCOCC 62a_100000739092_100000210670 [1,1,0,0,0,0|0,0,1]=3 10208 B13R0.336 CCCCCCCCNCCCCC 2230a_100000209983_100000210759 [1,1,0,0,0,0|1,0,1]=4 10209 B13R0.336 CCCCCCCCNCCCCC 2230a_100000229939_100000210326 [1,1,0,0,0,0|1,0,1]=4 10210 B13R0.336 CCCCCCCCNCCCCC 34a_100000229939_100000718602 [1,1,0,0,0,0|1,0,1]=4 10211 B13R0.336 CCCCCCCCNCCOCC 2230a_100000229939_100011215890 [1,1,0,0,0,0|0,0,1]=3 10212 B13R0.336 CCCCCCCCNCCOCC 2230a_102516460346_100000210759 [1,1,0,0,0,0|0,0,1]=3 10213 B13R0.336 CCCCCCCCNCCOCC 34a_100000229939_100000210147 [1,1,0,0,0,0|0,0,1]=3 10214 B13R0.336 CCCCCCCCNCCOCC 34a_102516460346_100000210759 [1,1,0,0,0,0|0,0,1]=3 10215 B13R0.336 CCCCCCCCNCCSCC 2230a_100000106463_100000210759 [1,1,0,0,0,0|0,1,1]=4 10216 B13R0.336 CCCCCCCCNCCSCC 2230a_100000229939_100000757381 [1,1,0,0,0,0|0,1,1]=4 10217 B13R0.336 CCCCCCCCNCCSCC 34a_100000229939_100000757381 [1,1,0,0,0,0|0,1,1]=4 10218 B13R0.336 CCCCCCCCOCCCCC 34a_100000210232_100000718602 [1,1,0,0,0,0|1,0,1]=4 10219 B13R0.336 CCCCCCCCOCCCCC 34a_100000210253_100000210759 [1,1,0,0,0,0|1,0,1]=4 10220 B13R0.336 CCCCCCCCOCCCCC 7a_100000210232_100000210326 [1,1,0,0,0,0|1,0,1]=4 10221 B13R0.336 CCCCCCCCOCCCCC 7a_100000210253_100000210759 [1,1,0,0,0,0|1,0,1]=4 10222 B13R0.336 CCCCCCCCOCCOCC 34a_100000210136_100000210759 [1,1,0,0,0,0|0,0,1]=3 10223 B13R0.336 CCCCCCCCOCCOCC 34a_100000210232_100000210147 [1,1,0,0,0,0|0,0,1]=3 10224 B13R0.336 CCCCCCCCOCCOCC 7a_100000210136_100000210759 [1,1,0,0,0,0|0,0,1]=3 10225 B13R0.336 CCCCCCCCOCCOCC 7a_100000210232_100011215890 [1,1,0,0,0,0|0,0,1]=3 10226 B13R0.336 CCCCCCCCOCCSCC 34a_100000210232_100000757381 [1,1,0,0,0,0|0,1,1]=4 10227 B13R0.336 CCCCCCCCOCCSCC 34a_100000212035_100000210759 [1,1,0,0,0,0|0,1,1]=4 10228 B13R0.336 CCCCCCCCOCCSCC 7a_100000210232_100000757381 [1,1,0,0,0,0|0,1,1]=4 10229 B13R0.336 CCCCCCCCOCCSCC 7a_100000212035_100000210759 [1,1,0,0,0,0|0,1,1]=4 10230 B13R0.336 CCCCCCCCSCCCCC 62a_100000210326_100000210317 [1,1,0,0,0,0|1,0,1]=4 10231 B13R0.336 CCCCCCCCSCCCCC 62a_100000210759_100000210326 [1,1,0,0,0,0|1,0,1]=4 10232 B13R0.336 CCCCCCCCSCCOCC 62a_100000210147_100000210317 [1,1,0,0,0,0|0,0,1]=3 10233 B13R0.336 CCCCCCCCSCCOCC 62a_100000210759_100011215890 [1,1,0,0,0,0|0,0,1]=3 10234 B13R0.336 CCCCCCCCSCCSCC 62a_100000210759_100000757381 [1,1,0,0,0,0|0,1,1]=4 10235 B13R0.336 CCCCCCCCSCCSCC 62a_100000757381_100000210317 [1,1,0,0,0,0|0,1,1]=4 10236 B13R0.336 CCCCCCCNCCCCCC 2230a_100000210581_100000210681 [1,1,0,0,0,0|1,0,1]=4 10237 B13R0.336 CCCCCCCNCCCCCC 2230a_100000229938_100000210314 [1,1,0,0,0,0|1,0,1]=4 10238 B13R0.336 CCCCCCCNCCCOCC 2230a_100000210961_100000210681 [1,1,0,0,0,0|0,0,1]=3 10239 B13R0.336 CCCCCCCNCCCOCC 2230a_100000229938_100012232248 [1,1,0,0,0,0|0,0,1]=3 10240 B13R0.336 CCCCCCCNCCCOCC 34a_100000210961_100000210614 [1,1,0,0,0,0|0,0,1]=3 10241 B13R0.336 CCCCCCCNCCOCCC 2230a_100000229938_100011215938 [1,1,0,0,0,0|1,0,1]=4 10242 B13R0.336 CCCCCCCNCCOCCC 2230a_100161115042_100000210681 [1,1,0,0,0,0|1,0,1]=4 10243 B13R0.336 CCCCCCCNCCOCCC 34a_100161115042_100000210614 [1,1,0,0,0,0|1,0,1]=4 10244 B13R0.336 CCCCCCCNCCOCCO 2230a_100000211614_100000210681 [1,1,0,0,0,0|1,0,1]=4 10245 B13R0.336 CCCCCCCNCCOCCO 2230a_100000229938_100011215305 [1,1,0,0,0,0|1,0,1]=4 10246 B13R0.336 CCCCCCCNCCOCCO 34a_100000211614_100000210614 [1,1,0,0,0,0|1,0,1]=4 10247 B13R0.336 CCCCCCCNCCSCCC 2230a_100020603323_100000210681 [1,1,0,0,0,0|2,0,0]=4 10248 B13R0.336 CCCCCCCOCCCCCC 34a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 10249 B13R0.336 CCCCCCCOCCCCCC 34a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 10250 B13R0.336 CCCCCCCOCCCCCC 7a_100000210259_100000210614 [1,1,0,0,0,0|1,0,1]=4 10251 B13R0.336 CCCCCCCOCCCCCC 7a_100000210272_100000210314 [1,1,0,0,0,0|1,0,1]=4 10252 B13R0.336 CCCCCCCOCCCOCC 34a_100000210272_100012232248 [1,1,0,0,0,0|0,0,1]=3 10253 B13R0.336 CCCCCCCOCCCOCC 34a_100000757476_100000210614 [1,1,0,0,0,0|0,0,1]=3 10254 B13R0.336 CCCCCCCOCCCOCC 7a_100000210272_100012232248 [1,1,0,0,0,0|0,0,1]=3 10255 B13R0.336 CCCCCCCOCCCOCC 7a_100000757476_100000210614 [1,1,0,0,0,0|0,0,1]=3 10256 B13R0.336 CCCCCCCOCCCSCC 34a_100011216438_100000210614 [1,1,0,0,0,0|0,1,1]=4 10257 B13R0.336 CCCCCCCOCCCSCC 7a_100011216438_100000210614 [1,1,0,0,0,0|0,1,1]=4 10258 B13R0.336 CCCCCCCOCCOCCBr 34a_100000692535_100000210614 [1,1,0,0,0,0|1,0,1]=4 10259 B13R0.336 CCCCCCCOCCOCCBr 7a_100000692535_100000210614 [1,1,0,0,0,0|1,0,1]=4 10260 B13R0.336 CCCCCCCOCCOCCC 34a_100000210272_100011215938 [1,1,0,0,0,0|1,0,1]=4 10261 B13R0.336 CCCCCCCOCCOCCC 34a_100000752267_100000210614 [1,1,0,0,0,0|1,0,1]=4 10262 B13R0.336 CCCCCCCOCCOCCC 7a_100000210272_100011215938 [1,1,0,0,0,0|1,0,1]=4 10263 B13R0.336 CCCCCCCOCCOCCC 7a_100000752267_100000210614 [1,1,0,0,0,0|1,0,1]=4 10264 B13R0.336 CCCCCCCOCCOCCCl 34a_100011215305_100000210614 [1,1,0,0,0,0|1,0,1]=4 10265 B13R0.336 CCCCCCCOCCOCCCl 7a_100011215305_100000210614 [1,1,0,0,0,0|1,0,1]=4 10266 B13R0.336 CCCCCCCOCCOCCF 34a_200015357709_100000210614 [1,1,0,0,0,0|1,0,1]=4 10267 B13R0.336 CCCCCCCOCCOCCF 7a_200015357709_100000210614 [1,1,0,0,0,0|1,0,1]=4 10268 B13R0.336 CCCCCCCOCCOCCI 34a_100012149058_100000210614 [1,1,0,0,0,0|1,0,1]=4 10269 B13R0.336 CCCCCCCOCCOCCI 7a_100012149058_100000210614 [1,1,0,0,0,0|1,0,1]=4 10270 B13R0.336 CCCCCCCOCCOCCN 34a_100000211614_100000210614 [1,1,0,0,0,0|1,0,1]=4 10271 B13R0.336 CCCCCCCOCCOCCO 34a_100000210272_100000692535 [1,1,0,0,0,0|1,0,1]=4 10272 B13R0.336 CCCCCCCOCCOCCO 7a_100000210272_100011215305 [1,1,0,0,0,0|1,0,1]=4 10273 B13R0.336 CCCCCCCOCCSCCC 34a_200000230433_100000210614 [1,1,0,0,0,0|2,0,0]=4 10274 B13R0.336 CCCCCCCOCCSCCC 7a_200000230433_100000210614 [1,1,0,0,0,0|2,0,0]=4 10275 B13R0.336 CCCCCCCSCCCCCC 62a_100000210314_100000210316 [1,1,0,0,0,0|1,0,1]=4 10276 B13R0.336 CCCCCCCSCCCCCC 62a_100000210614_100000210757 [1,1,0,0,0,0|1,0,1]=4 10277 B13R0.336 CCCCCCCSCCCOCC 62a_100000210614_100012232248 [1,1,0,0,0,0|0,0,1]=3 10278 B13R0.336 CCCCCCCSCCCOCC 62a_100012232248_100000210316 [1,1,0,0,0,0|0,0,1]=3 10279 B13R0.336 CCCCCCCSCCOCCC 62a_100000210614_100011215938 [1,1,0,0,0,0|1,0,1]=4 10280 B13R0.336 CCCCCCCSCCOCCC 62a_100011215938_100000210316 [1,1,0,0,0,0|1,0,1]=4 10281 B13R0.336 CCCCCCCSCCOCCO 62a_100000210614_100011215305 [1,1,0,0,0,0|1,0,1]=4 10282 B13R0.336 CCCCCCCSCCOCCO 62a_100011215305_100000210316 [1,1,0,0,0,0|1,0,1]=4 10283 B13R0.336 CCCCCCNCCCOCCC 2230a_100011217757_100000210314 [1,1,0,0,0,0|1,0,1]=4 10284 B13R0.336 CCCCCCNCCCOCCC 34a_100011217757_100000210314 [1,1,0,0,0,0|1,0,1]=4 10285 B13R0.336 CCCCCNCCOCCOCC 2230a_100000209983_100011211534 [1,1,0,0,0,0|1,0,1]=4 10286 B13R0.336 CCCCCNCCOCCOCC 2230a_100102712874_100000210326 [1,1,0,0,0,0|1,0,1]=4 10287 B13R0.336 CCCCCNCCOCCOCC 34a_100000224656_100000210147 [1,1,0,0,0,0|1,0,1]=4 10288 B13R0.336 CCCCCNCCOCCOCC 34a_100102712874_100000718602 [1,1,0,0,0,0|1,0,1]=4 10289 B13R0.336 CCCCCOCCOCCOCC 34a_100000210240_100000718602 [1,1,0,0,0,0|1,0,1]=4 10290 B13R0.336 CCCCCOCCOCCOCC 34a_100000210253_100011211534 [1,1,0,0,0,0|1,0,1]=4 10291 B13R0.336 CCCCCOCCOCCOCC 34a_100011215259_100000210147 [1,1,0,0,0,0|1,0,1]=4 10292 B13R0.336 CCCCCOCCOCCOCC 7a_100000210240_100000210326 [1,1,0,0,0,0|1,0,1]=4 10293 B13R0.336 CCCCCOCCOCCOCC 7a_100000210253_100011211534 [1,1,0,0,0,0|1,0,1]=4 10294 B13R0.336 CCCCCOCCOCCOCC 7a_100011215259_100011215890 [1,1,0,0,0,0|1,0,1]=4 10295 B13R0.336 CCCCCSCCOCCOCC 62a_100000210326_100011211534 [1,1,0,0,0,0|1,0,1]=4 10296 B13R0.336 CCCCCSCCOCCOCC 62a_100011211534_100000210326 [1,1,0,0,0,0|1,0,1]=4 10297 B13R0.336 CCCCOCCCNCCOCC 2230a_200000211371_100011215890 [1,1,0,0,0,0|1,0,1]=4 10298 B13R0.336 CCCCOCCCNCCOCC 34a_200000211371_100000210147 [1,1,0,0,0,0|1,0,1]=4 10299 B13R0.336 CCCCOCCCOCCOCC 34a_200011215613_100000210147 [1,1,0,0,0,0|1,0,1]=4 10300 B13R0.336 CCCCOCCCOCCOCC 7a_200011215613_100011215890 [1,1,0,0,0,0|1,0,1]=4 10301 B13R0.336 CCCCOCCNCCCOCC 2230a_100000210961_100000743108 [1,1,0,0,0,0|1,0,1]=4 10302 B13R0.336 CCCCOCCNCCCOCC 34a_100000210961_100000743108 [1,1,0,0,0,0|1,0,1]=4 10303 B13R0.336 CCCCOCCOCCCOCC 34a_100000210238_100012232248 [1,1,0,0,0,0|1,0,1]=4 10304 B13R0.336 CCCCOCCOCCCOCC 34a_100000757476_100000743108 [1,1,0,0,0,0|1,0,1]=4 10305 B13R0.336 CCCCOCCOCCCOCC 7a_100000210238_100012232248 [1,1,0,0,0,0|1,0,1]=4 10306 B13R0.336 CCCCOCCOCCCOCC 7a_100000757476_100000743108 [1,1,0,0,0,0|1,0,1]=4 10307 B13R0.336 CCCCOCCSCCCOCC 62a_100000743108_100012232248 [1,1,0,0,0,0|1,0,1]=4 10308 B13R0.336 CCCCOCCSCCCOCC 62a_100012232248_100000743108 [1,1,0,0,0,0|1,0,1]=4 10309 B13R0.336 CCCCSCCNCCCOCC 2230a_100025743550_100012232248 [1,1,0,0,0,0|1,0,1]=4 10310 B13R0.336 CCCCSCCOCCCOCC 34a_200000230436_100012232248 [1,1,0,0,0,0|1,0,1]=4 10311 B13R0.336 CCCCSCCOCCCOCC 7a_200000230436_100012232248 [1,1,0,0,0,0|1,0,1]=4 10312 B13R0.336 CCCNCCCCCCCCCO 2230a_100000078944_100000210303 [1,1,0,0,0,0|2,0,0]=4 10313 B13R0.336 CCCNCCCCCCCCCO 34a_100000078944_100000210303 [1,1,0,0,0,0|2,0,0]=4 10314 B13R0.336 CCCOCCCCCCCCCBr 34a_100009813782_100000210303 [1,1,0,0,0,0|1,0,1]=4 10315 B13R0.336 CCCOCCCCCCCCCBr 7a_100009813782_100000210303 [1,1,0,0,0,0|1,0,1]=4 10316 B13R0.336 CCCOCCCCCCCCCCl 34a_100009868337_100000210303 [1,1,0,0,0,0|1,0,1]=4 10317 B13R0.336 CCCOCCCCCCCCCCl 7a_100009868337_100000210303 [1,1,0,0,0,0|1,0,1]=4 10318 B13R0.336 CCCOCCCCCCCCCN 34a_100000078944_100000210303 [1,1,0,0,0,0|1,0,1]=4 10319 B13R0.336 CCCOCCCCCCCCCO 34a_100000210258_100009813782 [1,1,0,0,0,0|1,0,1]=4 10320 B13R0.336 CCCOCCCNCCCOCC 2230a_100011217757_100012232248 [1,1,0,0,0,0|1,0,1]=4 10321 B13R0.336 CCCOCCCNCCCOCC 34a_100011217757_100012232248 [1,1,0,0,0,0|1,0,1]=4 10322 B13R0.336 CCCSCCCCCCCCCO 62a_100000210303_100009813782 [1,1,0,0,0,0|2,0,0]=4 10323 B13R0.336 CCCSCCCCCCCCCO 62a_100009813782_100000210303 [1,1,0,0,0,0|2,0,0]=4 10324 B13R0.336 CCNCCCCCCCCCCO 2230a_100000066964_100000210202 [1,1,0,0,0,0|1,0,1]=4 10325 B13R0.336 CCNCCCCCCCCCCO 2230a_100015525214_100009813290 [1,1,0,0,0,0|1,0,1]=4 10326 B13R0.336 CCNCCCCCCCCCCO 34a_100000066964_100000210202 [1,1,0,0,0,0|1,0,1]=4 10327 B13R0.336 CCOCCCCCCCCCCBr 34a_100009813290_100000210202 [1,1,0,0,0,0|0,0,1]=3 10328 B13R0.336 CCOCCCCCCCCCCBr 7a_100009813290_100000210202 [1,1,0,0,0,0|0,0,1]=3 10329 B13R0.336 CCOCCCCCCCCCCCl 34a_200000033068_100000210202 [1,1,0,0,0,0|0,0,1]=3 10330 B13R0.336 CCOCCCCCCCCCCCl 7a_200000033068_100000210202 [1,1,0,0,0,0|0,0,1]=3 10331 B13R0.336 CCOCCCCCCCCCCN 34a_100000066964_100000210202 [1,1,0,0,0,0|0,0,1]=3 10332 B13R0.336 CCOCCCCCCCCCCO 34a_100121572206_100009813290 [1,1,0,0,0,0|0,0,1]=3 10333 B13R0.336 CCOCCCCCCCCCOC 34a_100009875440_200000210301 [1,1,0,0,0,0|0,0,1]=3 10334 B13R0.336 CCOCCCCCCCCCOC 7a_100009875440_200000210301 [1,1,0,0,0,0|0,0,1]=3 10335 B13R0.336 CCOCCCCCCCCCO[13CH3] 34a_100009875440_200025704644 [1,1,0,0,0,0|0,0,1]=3 10336 B13R0.336 CCOCCCCCCCCCO[13CH3] 7a_100009875440_200025704644 [1,1,0,0,0,0|0,0,1]=3 10337 B13R0.336 CCOCCCNCCCCCCF 2230a_100000210961_100015922095 [1,1,0,0,0,0|1,0,1]=4 10338 B13R0.336 CCOCCCNCCCCCCF 34a_100000210961_100015922095 [1,1,0,0,0,0|1,0,1]=4 10339 B13R0.336 CCOCCCNCCCCCCO 2230a_100000210961_100000766143 [1,1,0,0,0,0|1,0,1]=4 10340 B13R0.336 CCOCCCNCCCCCCO 2230a_100000686447_100012232248 [1,1,0,0,0,0|1,0,1]=4 10341 B13R0.336 CCOCCCNCCCCCCO 34a_100000210961_100000766143 [1,1,0,0,0,0|1,0,1]=4 10342 B13R0.336 CCOCCCNCCCCCCO 34a_100000686447_100012232248 [1,1,0,0,0,0|1,0,1]=4 10343 B13R0.336 CCOCCCNCCCCCOC 2230a_100000747528_100012232248 [1,1,0,0,0,0|1,0,1]=4 10344 B13R0.336 CCOCCCNCCCCCOC 34a_100000747528_100012232248 [1,1,0,0,0,0|1,0,1]=4 10345 B13R0.336 CCOCCCOCCCCCCBr 34a_100011215345_100012232248 [1,1,0,0,0,0|1,0,1]=4 10346 B13R0.336 CCOCCCOCCCCCCBr 7a_100011215345_100012232248 [1,1,0,0,0,0|1,0,1]=4 10347 B13R0.336 CCOCCCOCCCCCCCl 34a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 10348 B13R0.336 CCOCCCOCCCCCCCl 7a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 10349 B13R0.336 CCOCCCOCCCCCCF 34a_100000732779_100012232248 [1,1,0,0,0,0|1,0,1]=4 10350 B13R0.336 CCOCCCOCCCCCCF 34a_100000757476_100015922095 [1,1,0,0,0,0|1,0,1]=4 10351 B13R0.336 CCOCCCOCCCCCCF 7a_100000732779_100012232248 [1,1,0,0,0,0|1,0,1]=4 10352 B13R0.336 CCOCCCOCCCCCCF 7a_100000757476_100015922095 [1,1,0,0,0,0|1,0,1]=4 10353 B13R0.336 CCOCCCOCCCCCCN 34a_100000686447_100012232248 [1,1,0,0,0,0|1,0,1]=4 10354 B13R0.336 CCOCCCOCCCCCCO 34a_100000757476_100000766143 [1,1,0,0,0,0|1,0,1]=4 10355 B13R0.336 CCOCCCOCCCCCCO 7a_100000757476_100000766143 [1,1,0,0,0,0|1,0,1]=4 10356 B13R0.336 CCOCCCOCCCCCNC 34a_100000722520_100012232248 [1,1,0,0,0,0|1,0,1]=4 10357 B13R0.336 CCOCCCSCCCCCCF 62a_100012232248_100015922095 [1,1,0,0,0,0|1,0,1]=4 10358 B13R0.336 CCOCCCSCCCCCCF 62a_100015922095_100012232248 [1,1,0,0,0,0|1,0,1]=4 10359 B13R0.336 CCOCCCSCCCCCCO 62a_100000766143_100012232248 [1,1,0,0,0,0|1,0,1]=4 10360 B13R0.336 CCOCCCSCCCCCCO 62a_100012232248_100000766143 [1,1,0,0,0,0|1,0,1]=4 10361 B13R0.336 CCOCCNCCCCCCCO 2230a_100011996573_100011215890 [1,1,0,0,0,0|1,0,1]=4 10362 B13R0.336 CCOCCNCCCCCCCO 2230a_102516460346_100000760002 [1,1,0,0,0,0|1,0,1]=4 10363 B13R0.336 CCOCCNCCCCCCCO 34a_100011996573_100000210147 [1,1,0,0,0,0|1,0,1]=4 10364 B13R0.336 CCOCCNCCCCCCCO 34a_102516460346_100000760002 [1,1,0,0,0,0|1,0,1]=4 10365 B13R0.336 CCOCCNCCCCCCOC 2230a_102516460346_100011998445 [1,1,0,0,0,0|1,0,1]=4 10366 B13R0.336 CCOCCNCCCCCCOC 34a_102516460346_100011998445 [1,1,0,0,0,0|1,0,1]=4 10367 B13R0.336 CCOCCOCCCCCCCBr 34a_100000760002_100000210147 [1,1,0,0,0,0|1,0,1]=4 10368 B13R0.336 CCOCCOCCCCCCCBr 7a_100000760002_100011215890 [1,1,0,0,0,0|1,0,1]=4 10369 B13R0.336 CCOCCOCCCCCCCN 34a_100011996573_100000210147 [1,1,0,0,0,0|1,0,1]=4 10370 B13R0.336 CCOCCOCCCCCCCO 34a_100000210136_100000760002 [1,1,0,0,0,0|1,0,1]=4 10371 B13R0.336 CCOCCOCCCCCCCO 7a_100000210136_100000760002 [1,1,0,0,0,0|1,0,1]=4 10372 B13R0.336 CCOCCOCCCCCCOC 34a_100000210136_100011998445 [1,1,0,0,0,0|1,0,1]=4 10373 B13R0.336 CCOCCOCCCCCCOC 34a_200012092642_100000210147 [1,1,0,0,0,0|1,0,1]=4 10374 B13R0.336 CCOCCOCCCCCCOC 7a_100000210136_100011998445 [1,1,0,0,0,0|1,0,1]=4 10375 B13R0.336 CCOCCOCCCCCCOC 7a_200012092642_100011215890 [1,1,0,0,0,0|1,0,1]=4 10376 B13R0.336 CCOCCSCCCCCCCO 62a_100000210147_100000760002 [1,1,0,0,0,0|1,0,1]=4 10377 B13R0.336 CCOCCSCCCCCCCO 62a_100000760002_100011215890 [1,1,0,0,0,0|1,0,1]=4 10378 B13R0.336 CCOCCSCCCCCCOC 62a_100000210147_100011998445 [1,1,0,0,0,0|1,0,1]=4 10379 B13R0.336 CCOCCSCCCCCCOC 62a_100011998445_100011215890 [1,1,0,0,0,0|1,0,1]=4 10380 B13R0.336 CCOCSCCCCCCCCO 62a_100000033203_100000739092 [1,1,0,0,0,0|1,0,1]=4 10381 B13R0.336 CCOCSCCCCCCCCO 62a_100000739092_100000033203 [1,1,0,0,0,0|1,0,1]=4 10382 B13R0.336 CCSCCCCCCCCCCO 62a_100000210202_200000033068 [1,1,0,0,0,0|0,1,1]=4 10383 B13R0.336 CCSCCCCCCCCCCO 62a_100009813290_100000210202 [1,1,0,0,0,0|0,1,1]=4 10384 B13R0.336 CSCOCCCCCCCCCBr 34a_100009813782_100011218213 [1,1,0,0,0,0|1,0,1]=4 10385 B13R0.336 CSCOCCCCCCCCCCl 34a_100009868337_100011218213 [1,1,0,0,0,0|1,0,1]=4 10386 B13R0.336 CSCOCCCCCCCCCN 34a_100000078944_100011218213 [1,1,0,0,0,0|1,0,1]=4 10387 B13R0.336 FCCOCCCCCCCCCBr 34a_100009813782_100011217306 [1,1,0,0,0,0|1,0,1]=4 10388 B13R0.336 FCCOCCCCCCCCCBr 7a_100009813782_100011217306 [1,1,0,0,0,0|1,0,1]=4 10389 B13R0.336 FCCOCCCCCCCCCCl 34a_100009868337_100011217306 [1,1,0,0,0,0|1,0,1]=4 10390 B13R0.336 FCCOCCCCCCCCCCl 7a_100009868337_100011217306 [1,1,0,0,0,0|1,0,1]=4 10391 B13R0.336 FCOCCCCCCCCCCBr 34a_100009813290_100015361967 [1,1,0,0,0,0|1,0,1]=4 10392 B13R0.336 FCOCCCCCCCCCCBr 7a_100009813290_100015361967 [1,1,0,0,0,0|1,0,1]=4 10393 B13R0.336 FCOCCCCCCCCCCCl 34a_200000033068_100015361967 [1,1,0,0,0,0|1,0,1]=4 10394 B13R0.336 FCOCCCCCCCCCCCl 7a_200000033068_100015361967 [1,1,0,0,0,0|1,0,1]=4 10395 B13R0.336 NCCCCCCCCCCOCF 34a_100000066964_100015361967 [1,1,0,0,0,0|1,0,1]=4 10396 B13R0.336 NCCCCCCCCCOCCF 34a_100000078944_100011217306 [1,1,0,0,0,0|1,0,1]=4 10397 B13R0.336 NCCCCCCCCCOCCO 34a_100000078944_100000211926 [1,1,0,0,0,0|1,0,1]=4 10398 B13R0.336 NCCOCCCCCCCCCO 34a_100000210304_100009813782 [1,1,0,0,0,0|1,0,1]=4 10399 B13R0.336 OCCCCCCCCCOCCBr 34a_100000211926_100009813782 [1,1,0,0,0,0|1,0,1]=4 10400 B13R0.336 OCCOCCCCCCCCCBr 34a_100009813782_100000211926 [1,1,0,0,0,0|1,0,1]=4 10401 B13R0.336 OCCOCCCCCCCCCBr 7a_100009813782_100000211926 [1,1,0,0,0,0|1,0,1]=4 10402 B13R0.336 OCCOCCCCCCCCCCl 34a_100009868337_100000211926 [1,1,0,0,0,0|1,0,1]=4 10403 B13R0.336 OCCOCCCCCCCCCCl 7a_100009868337_100000211926 [1,1,0,0,0,0|1,0,1]=4 10404 B13R0.338 CC/C=C/CC(=O)CCCCCCC 1458a_100016274230_100000210614 [1,1,0,0,0,0|1,0,1]=4 10405 B13R0.338 CC/C=C\CC(=O)CCCCCCC 1458a_100000211969_100103147603 [1,1,0,0,0,0|1,0,1]=4 10406 B13R0.338 CC/C=C\CCNC(C)CCCCC 2230a_100000211957_100015370543 [1,1,0,0,0,0|2,0,0]=4 10407 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100011215632_100015370543 [1,1,0,0,0,0|2,0,0]=4 10408 B13R0.338 CC/C=C\CCOC(C)CCCCC 34a_100016288707_200011218191 [1,1,0,0,0,0|2,0,0]=4 10409 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100011215632_100015370543 [1,1,0,0,0,0|2,0,0]=4 10410 B13R0.338 CC/C=C\CCOC(C)CCCCC 7a_100016288707_200011218191 [1,1,0,0,0,0|2,0,0]=4 10411 B13R0.338 CC/C=C\CCSC(C)CCCCC 62a_100015370543_200011218191 [1,1,0,0,0,0|2,0,0]=4 10412 B13R0.338 CC/C=C\CCSC(C)CCCCC 62a_200011218191_100015370543 [1,1,0,0,0,0|2,0,0]=4 10413 B13R0.338 CC/C=C\CN(C)CCCCCCC 2230a_100000228206_100103147603 [1,1,0,0,0,0|2,0,0]=4 10414 B13R0.338 CC/C=C\CN(C)CCCCCCC 269982a_100000228206_100103147603 [1,1,0,0,0,0|2,0,0]=4 10415 B13R0.338 CCCCCC(C)NCCCOCC 2230a_100000210961_200011218191 [1,1,0,0,0,0|1,0,1]=4 10416 B13R0.338 CCCCCC(C)NCCCOCC 2230a_100000211957_100012232248 [1,1,0,0,0,0|1,0,1]=4 10417 B13R0.338 CCCCCC(C)NCCCOCC 270004a_100000210961_100000211708 [1,1,0,0,0,0|1,0,1]=4 10418 B13R0.338 CCCCCC(C)NCCCOCC 34a_100000210961_200011218191 [1,1,0,0,0,0|1,0,1]=4 10419 B13R0.338 CCCCCC(C)OCCCOCC 34a_100000757476_200011218191 [1,1,0,0,0,0|1,0,1]=4 10420 B13R0.338 CCCCCC(C)OCCCOCC 34a_100011215632_100012232248 [1,1,0,0,0,0|1,0,1]=4 10421 B13R0.338 CCCCCC(C)OCCCOCC 7a_100000757476_200011218191 [1,1,0,0,0,0|1,0,1]=4 10422 B13R0.338 CCCCCC(C)OCCCOCC 7a_100011215632_100012232248 [1,1,0,0,0,0|1,0,1]=4 10423 B13R0.338 CCCCCC(C)SCCCOCC 62a_100012232248_200011218191 [1,1,0,0,0,0|1,0,1]=4 10424 B13R0.338 CCCCCC(C)SCCCOCC 62a_200011218191_100012232248 [1,1,0,0,0,0|1,0,1]=4 10425 B13R0.338 CCCCCCCC(=O)C=COCC 1458a_100016266692_100000210614 [1,1,0,0,0,0|0,0,2]=4 10426 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000211969_100011215890 [1,1,0,0,0,0|0,0,2]=4 10427 B13R0.338 CCCCCCCC(=O)CCOCC 1458a_100000749530_100000210614 [1,1,0,0,0,0|0,0,2]=4 10428 B13R0.338 CCCCCCCC(C)SCOCC 62a_100000739092_200011218727 [1,1,0,0,0,0|1,0,1]=4 10429 B13R0.338 CCCCCCCC(C)SCOCC 62a_200011218727_100000739092 [1,1,0,0,0,0|1,0,1]=4 10430 B13R0.338 CCCCCCCN(C)CCOCC 2230a_100000228206_100011215890 [1,1,0,0,0,0|1,0,1]=4 10431 B13R0.338 CCCCCCCN(C)CCOCC 269982a_100000228206_100011215890 [1,1,0,0,0,0|1,0,1]=4 10432 B13R0.338 CCCCCCNC(C)CCOCC 270004a_100000210581_200011216536 [1,1,0,0,0,0|1,0,1]=4 10433 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000210183_100000204269 [1,1,0,0,0,0|0,0,1]=3 10434 B13R0.113 CCCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000210211 [1,1,0,0,0,0|0,0,1]=3 10435 B13R0.113 CCCCC(=O)CCCNC(=O)OC 1458a_100000753017_100000210211 [1,1,0,0,0,0|1,0,1]=4 10436 B13R0.113 CCCCC(=O)CCOCC(=O)OC 1458a_100000210183_100000090808 [1,1,0,0,0,0|1,0,1]=4 10437 B13R0.113 CCCCC(=O)NCCCC(=O)OC 188690a_100000184769_100000210183 [1,1,0,0,0,0|1,0,1]=4 10438 B13R0.113 CCCCC(C)COCCC(=O)NC 34a_100011995851_100012179268 [1,1,0,0,0,0|2,0,0]=4 10439 B13R0.113 CCCCC(C)COCCC(=O)NC 7a_100011995851_100000737683 [1,1,0,0,0,0|2,0,0]=4 10440 B13R0.113 CCCCC(C)COCCC(=O)OC 34a_100011995851_100000742370 [1,1,0,0,0,0|1,0,0]=3 10441 B13R0.113 CCCCC(C)COCCC(=O)OC 7a_100011995851_100000204255 [1,1,0,0,0,0|1,0,0]=3 10442 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000126638_100000741757 [1,1,0,0,0,0|2,0,0]=4 10443 B13R0.113 CCCCC(C)NCCCC(=O)NC 2230a_100000740002_200011215066 [1,1,0,0,0,0|2,0,0]=4 10444 B13R0.113 CCCCC(C)NCCCC(=O)NC 270004a_100000740002_100000210087 [1,1,0,0,0,0|2,0,0]=4 10445 B13R0.113 CCCCC(C)NCCCC(=O)NC 34a_100000740002_200011215066 [1,1,0,0,0,0|2,0,0]=4 10446 B13R0.113 CCCCC(C)NCCCC(=O)OC 2230a_100000126638_100011218270 [1,1,0,0,0,0|1,0,0]=3 10447 B13R0.113 CCCCC(C)NCCNC(=O)CC 270004a_100132302217_100000210087 [1,1,0,0,0,0|2,0,0]=4 10448 B13R0.113 CCCCC(C)NCCNC(=O)CC 34a_100132302217_200011215066 [1,1,0,0,0,0|2,0,0]=4 10449 B13R0.113 CCCCC(C)OCCCC(=O)NC 34a_100000687866_100000741757 [1,1,0,0,0,0|2,0,0]=4 10450 B13R0.113 CCCCC(C)OCCCC(=O)NC 7a_100000687866_100000741757 [1,1,0,0,0,0|2,0,0]=4 10451 B13R0.113 CCCCC(C)OCCCC(=O)OC 34a_100000687866_100000742333 [1,1,0,0,0,0|1,0,0]=3 10452 B13R0.113 CCCCC(C)OCCCC(=O)OC 7a_100000687866_100011218270 [1,1,0,0,0,0|1,0,0]=3 10453 B13R0.113 CCCCC(C)OCCNC(=O)CC 34a_200000158885_200011215066 [1,1,0,0,0,0|2,0,0]=4 10454 B13R0.113 CCCCC(C)OCCNC(=O)CC 7a_200000158885_200011215066 [1,1,0,0,0,0|2,0,0]=4 10455 B13R0.113 CCCCC(C)OCCNC(=O)OC 34a_100000757965_200011215066 [1,1,0,0,0,0|2,0,0]=4 10456 B13R0.113 CCCCC(C)OCCOC(=O)CC 7a_200000031056_200011215066 [1,1,0,0,0,0|2,0,0]=4 10457 B13R0.113 CCCCC(C)OCCOC(=O)OC 34a_100010262106_200011215066 [1,1,0,0,0,0|2,0,0]=4 10458 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_100000741757_200011215066 [1,1,0,0,0,0|2,0,0]=4 10459 B13R0.113 CCCCC(C)SCCCC(=O)NC 62a_200011215066_100000741757 [1,1,0,0,0,0|2,0,0]=4 10460 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_100011218270_200011215066 [1,1,0,0,0,0|1,0,0]=3 10461 B13R0.113 CCCCC(C)SCCCC(=O)OC 62a_200011215066_100011218270 [1,1,0,0,0,0|1,0,0]=3 10462 B13R0.113 CCCCN(C)CCCCC(=O)OC 2230a_100000207549_100000204269 [1,1,0,0,0,0|1,0,0]=3 10463 B13R0.113 CCCCN(C)CCCCC(=O)OC 269982a_100000207549_100000204269 [1,1,0,0,0,0|1,0,0]=3 10464 B13R0.113 CCCCN(C)CCOCC(=O)OC 2230a_100000207549_100000090808 [1,1,0,0,0,0|2,0,0]=4 10465 B13R0.113 CCCC[C@H](N)COCCC(=O)NC 34a_100011934283_100012179268 [1,1,0,0,0,0|2,0,0]=4 10466 B13R0.113 CCCC[C@H](N)COCCC(=O)OC 34a_100011934283_100000742370 [1,1,0,0,0,0|1,0,0]=3 10467 B13R0.113 CCCNC(=O)CCCCC(=O)OC 11a_100020643023_100000695723 [1,1,0,0,0,0|1,0,1]=4 10468 B13R0.113 CCCNC(=O)CCCCC(=O)OC 1626a_100020643023_100000695723 [1,1,0,0,0,0|1,0,1]=4 10469 B13R0.113 CCCNC(=O)CCCCC(=O)OC 240690a_100020643023_100000695723 [1,1,0,0,0,0|1,0,1]=4 10470 B13R0.113 CCCNC(=O)CCCCC(=O)OC 527a_100020643023_100000695723 [1,1,0,0,0,0|1,0,1]=4 10471 B13R0.113 CCCOC(C)CNCCC(=O)OC 2230a_100015185124_100000204255 [1,1,0,0,0,0|2,0,0]=4 10472 B13R0.113 CCCOC(C)CNCCC(=O)OC 34a_100015185124_100000742370 [1,1,0,0,0,0|2,0,0]=4 10473 B13R0.113 CCOCC(=O)CCCCC(=O)OC 1458a_100000211967_100000204269 [1,1,0,0,0,0|1,0,1]=4 10474 B13R0.113 CCOCC(C)OCCCC(=O)OC 34a_100000718985_100000742333 [1,1,0,0,0,0|2,0,0]=4 10475 B13R0.113 CCOCC(C)OCCCC(=O)OC 7a_100000718985_100011218270 [1,1,0,0,0,0|2,0,0]=4 10476 B13R0.113 CCOCC(O)CNCCC(=O)OC 2230a_102515437182_100000204255 [1,1,0,0,0,0|2,0,0]=4 10477 B13R0.113 CCOCC(O)CNCCC(=O)OC 34a_102515437182_100000742370 [1,1,0,0,0,0|2,0,0]=4 10478 B13R0.113 CCSCC(=O)CCCCC(=O)OC 1458a_100000230394_100000204269 [1,1,0,0,0,0|1,0,1]=4 10479 B13R0.113 COC(=O)CCCCC(=O)CCCF 1458a_100000695723_100011934791 [1,1,0,0,0,0|1,0,1]=4 10480 B13R0.113 COC(=O)CCCCC(=O)CCCO 1458a_100000695723_100011215043 [1,1,0,0,0,0|1,0,1]=4 10481 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000174002_100000204269 [1,1,0,0,0,0|1,0,1]=4 10482 B13R0.113 COC(=O)CCCCC(=O)CCSC 1458a_100000695723_100000751147 [1,1,0,0,0,0|1,0,1]=4 10483 B13R0.113 COC(=O)CCCCN(C)CCCO 2230a_100000213112_100000204269 [1,1,0,0,0,0|2,0,0]=4 10484 B13R0.113 COC(=O)CCCCN(C)CCCO 269982a_100000213112_100000204269 [1,1,0,0,0,0|2,0,0]=4 10485 B13R0.113 COC(=O)CCCCN(C)CCSC 2230a_100000686725_100000204269 [1,1,0,0,0,0|2,0,0]=4 10486 B13R0.113 COC(=O)CCCCN(C)CCSC 269982a_100000686725_100000204269 [1,1,0,0,0,0|2,0,0]=4 10487 B13R0.113 COC(=O)CCCOC(C)CCCCl 34a_200000718107_100000742333 [1,1,0,0,0,0|2,0,0]=4 10488 B13R0.113 COC(=O)CCCOC(C)CCCCl 7a_200000718107_100011218270 [1,1,0,0,0,0|2,0,0]=4 10489 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000204255 [1,1,0,0,0,0|2,0,0]=4 10490 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 34a_100160569302_100000742370 [1,1,0,0,0,0|2,0,0]=4 10491 B13R0.113 COC(=O)CCOC[C@@H](N)CCSC 34a_100011827619_100000742370 [1,1,0,0,0,0|2,0,0]=4 10492 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000695723_100000233755 [1,1,0,0,0,0|1,0,1]=4 10493 B13R0.113 COCCC(=O)CCCCC(=O)OC 1458a_100000749529_100000204269 [1,1,0,0,0,0|1,0,1]=4 10494 B13R0.113 COCCN(C)CCCCC(=O)OC 2230a_100000743101_100000204269 [1,1,0,0,0,0|2,0,0]=4 10495 B13R0.113 COCCN(C)CCCCC(=O)OC 269982a_100000743101_100000204269 [1,1,0,0,0,0|2,0,0]=4 10496 B13R0.150 C#CCCCCCCCC(=O)C(C)C 1458a_100000087357_100000210206 [1,1,0,0,0,0|0,0,2]=4 10497 B13R0.150 C#CCCCCCCCC(=O)C(C)C 1458a_100000210198_100153394163 [1,1,0,0,0,0|0,0,2]=4 10498 B13R0.150 C#CCCCCCCCC(=O)C(C)F 1458a_100000062450_100153394163 [1,1,0,0,0,0|0,0,2]=4 10499 B13R0.150 C#CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100153394163 [1,1,0,0,0,0|0,0,2]=4 10500 B13R0.150 C#CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100153394163 [1,1,0,0,0,0|0,0,2]=4 10501 B13R0.150 C=C(C)C(=O)CCCCCCCCC 1458a_100000185857_100000210670 [1,1,0,0,0,0|0,0,1]=3 10502 B13R0.150 C=C(C)C(=O)CCCCCCCCO 1458a_100000185857_100000033203 [1,1,0,0,0,0|1,0,1]=4 10503 B13R0.150 C=C(C)C(=O)NCCCCCCCC 11a_100000229939_100000185857 [1,1,0,0,0,0|1,0,1]=4 10504 B13R0.150 C=C(C)C(=O)NCCCCCCCC 1626a_100000229939_100000185857 [1,1,0,0,0,0|1,0,1]=4 10505 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100000210198_100012355270 [1,1,0,0,0,0|0,0,2]=4 10506 B13R0.150 C=CCCCCCCCC(=O)C(C)C 1458a_100011216160_100000210206 [1,1,0,0,0,0|0,0,2]=4 10507 B13R0.150 C=CCCCCCCCC(=O)C(C)F 1458a_100000062450_100012355270 [1,1,0,0,0,0|0,0,2]=4 10508 B13R0.150 C=CCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100012355270 [1,1,0,0,0,0|0,0,2]=4 10509 B13R0.150 C=CCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100012355270 [1,1,0,0,0,0|0,0,2]=4 10510 B13R0.150 CC(C)C(=O)CCCCCCCCO 1458a_100000210198_100000033203 [1,1,0,0,0,0|1,0,0]=3 10511 B13R0.150 CC(C)C(=O)CNCCCCCCO 2230a_100000686447_100000753385 [1,1,0,0,0,0|2,0,0]=4 10512 B13R0.150 CC(C)C(=O)CNCCCCCCO 34a_100000686447_100000753385 [1,1,0,0,0,0|2,0,0]=4 10513 B13R0.150 CC(C)C(=O)COCCCCCCBr 34a_100011215345_100000753385 [1,1,0,0,0,0|2,0,0]=4 10514 B13R0.150 CC(C)C(=O)COCCCCCCBr 7a_100011215345_100000753385 [1,1,0,0,0,0|2,0,0]=4 10515 B13R0.150 CC(C)C(=O)COCCCCCCCl 34a_100000766143_100000753385 [1,1,0,0,0,0|2,0,0]=4 10516 B13R0.150 CC(C)C(=O)COCCCCCCCl 7a_100000766143_100000753385 [1,1,0,0,0,0|2,0,0]=4 10517 B13R0.150 CC(C)C(=O)COCCCCCCF 34a_100000732779_100000753385 [1,1,0,0,0,0|2,0,0]=4 10518 B13R0.150 CC(C)C(=O)COCCCCCCF 7a_100000732779_100000753385 [1,1,0,0,0,0|2,0,0]=4 10519 B13R0.150 CC(C)C(=O)COCCCCCCN 34a_100000686447_100000753385 [1,1,0,0,0,0|2,0,0]=4 10520 B13R0.150 CC(C)C(=O)CSCCCCCCF 62a_100000753385_100015922095 [1,1,0,0,0,0|2,0,0]=4 10521 B13R0.150 CC(C)C(=O)CSCCCCCCF 62a_100015922095_100000753385 [1,1,0,0,0,0|2,0,0]=4 10522 B13R0.150 CC(C)C(=O)CSCCCCCCO 62a_100000753385_100000766143 [1,1,0,0,0,0|2,0,0]=4 10523 B13R0.150 CC(C)C(=O)CSCCCCCCO 62a_100000766143_100000753385 [1,1,0,0,0,0|2,0,0]=4 10524 B13R0.150 CC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000210198 [1,1,0,0,0,0|2,0,0]=4 10525 B13R0.150 CC(F)C(=O)CCCCCCCCO 1458a_100000062450_100000033203 [1,1,0,0,0,0|1,0,0]=3 10526 B13R0.150 CC(F)C(=O)NCCCCCCCO 240690a_100011996573_100000062450 [1,1,0,0,0,0|2,0,0]=4 10527 B13R0.150 CCCCC#CCCCC(=O)C(C)C 1458a_100000210198_200000047210 [1,1,0,0,0,0|0,0,2]=4 10528 B13R0.150 CCCCC#CCCCC(=O)C(C)F 1458a_100000062450_200000047210 [1,1,0,0,0,0|0,0,2]=4 10529 B13R0.150 CCCCC#CCCCC(=O)[C@@H](C)O 1458a_100000717761_200000047210 [1,1,0,0,0,0|0,0,2]=4 10530 B13R0.150 CCCCC#CCCCC(=O)[C@H](C)O 1458a_217856618621_200000047210 [1,1,0,0,0,0|0,0,2]=4 10531 B13R0.150 CCCCC/C=C/CCC(=O)C(C)C 1458a_200015255902_100000210206 [1,1,0,0,0,0|0,0,2]=4 10532 B13R0.150 CCCCCC/C=C/CC(=O)C(C)C 1458a_100020681715_100000210206 [1,1,0,0,0,0|0,0,2]=4 10533 B13R0.150 CCCCCCCC=CC(=O)C(C)C 1458a_200015332781_100000210206 [1,1,0,0,0,0|0,0,2]=4 10534 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210198_100000210670 [1,1,0,0,0,0|0,0,0]=2 10535 B13R0.150 CCCCCCCCCC(=O)C(C)C 1458a_100000210558_100000210206 [1,1,0,0,0,0|0,0,0]=2 10536 B13R0.150 CCCCCCCCCC(=O)C(C)F 1458a_100000062450_100000210670 [1,1,0,0,0,0|0,0,0]=2 10537 B13R0.150 CCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000210670 [1,1,0,0,0,0|1,0,0]=3 10538 B13R0.150 CCCCCCCCCC(=O)N(C)C 11a_100102631434_100000210558 [1,1,0,0,0,0|1,0,0]=3 10539 B13R0.150 CCCCCCCCCC(=O)N(C)C 1626a_100102631434_100000210558 [1,1,0,0,0,0|1,0,0]=3 10540 B13R0.150 CCCCCCCCCC(=O)N(C)C 240690a_100102631434_100000210558 [1,1,0,0,0,0|1,0,0]=3 10541 B13R0.150 CCCCCCCCCC(=O)N(C)C 527a_100102631434_100000210558 [1,1,0,0,0,0|1,0,0]=3 10542 B13R0.150 CCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210670 [1,1,0,0,0,0|0,0,0]=2 10543 B13R0.150 CCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210670 [1,1,0,0,0,0|0,0,0]=2 10544 B13R0.150 CCCCCCCCCN(C)C(C)C 2230a_100000232482_100000210206 [1,1,0,0,0,0|2,0,0]=4 10545 B13R0.150 CCCCCCCCCN(C)C(C)C 269982a_100000232482_100000210206 [1,1,0,0,0,0|2,0,0]=4 10546 B13R0.150 CCCCCCCCCN(C)C(C)C 269982a_200000211004_100000210670 [1,1,0,0,0,0|2,0,0]=4 10547 B13R0.150 CCCCCCCCNC(=O)C(C)C 11a_100000229939_100000210198 [1,1,0,0,0,0|1,0,0]=3 10548 B13R0.150 CCCCCCCCNC(=O)C(C)C 1626a_100000229939_100000210198 [1,1,0,0,0,0|1,0,0]=3 10549 B13R0.150 CCCCCCCCNC(=O)C(C)C 240690a_100000229939_100000210198 [1,1,0,0,0,0|1,0,0]=3 10550 B13R0.150 CCCCCCCCNC(=O)C(C)C 527a_100000229939_100000210198 [1,1,0,0,0,0|1,0,0]=3 10551 B13R0.150 CCCCCCCCNC(=O)C(C)F 11a_100000229939_100000062450 [1,1,0,0,0,0|1,0,0]=3 10552 B13R0.150 CCCCCCCCNC(=O)C(C)F 1626a_100000229939_100000062450 [1,1,0,0,0,0|1,0,0]=3 10553 B13R0.150 CCCCCCCCNC(=O)C(C)F 240690a_100000229939_100000062450 [1,1,0,0,0,0|1,0,0]=3 10554 B13R0.150 CCCCCCCCNC(=O)C(C)F 527a_100000229939_100000062450 [1,1,0,0,0,0|1,0,0]=3 10555 B13R0.150 CCCCCCCCNC(=O)C(F)F 11a_100000229939_100000210393 [1,1,0,0,0,0|2,0,0]=4 10556 B13R0.150 CCCCCCCCNC(=O)C(F)F 1626a_100000229939_100000210393 [1,1,0,0,0,0|2,0,0]=4 10557 B13R0.150 CCCCCCCCNC(=O)C(F)F 240690a_100000229939_100000210393 [1,1,0,0,0,0|2,0,0]=4 10558 B13R0.150 CCCCCCCCNC(=O)C(F)F 527a_100000229939_100000210393 [1,1,0,0,0,0|2,0,0]=4 10559 B13R0.150 CCCCCCCCNC(=O)C(O)O 240690a_100000229939_100000233687 [1,1,0,0,0,0|2,0,0]=4 10560 B13R0.150 CCCCCCCCNC(=O)N(C)C 2708a_100000229939_100102631434 [1,1,0,0,0,0|2,0,0]=4 10561 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 240690a_100000229939_100000717761 [1,1,0,0,0,0|1,0,0]=3 10562 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 1626a_100000229939_217856618621 [1,1,0,0,0,0|1,0,0]=3 10563 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O 240690a_100000229939_217856618621 [1,1,0,0,0,0|1,0,0]=3 10564 B13R0.150 CCCCCCCNCC(=O)C(C)C 2230a_100000229938_100000753385 [1,1,0,0,0,0|1,0,0]=3 10565 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100000229938_100000185267 [1,1,0,0,0,0|2,0,0]=4 10566 B13R0.150 CCCCCCCNCC(=O)N(C)C 2230a_100015183351_100000210681 [1,1,0,0,0,0|2,0,0]=4 10567 B13R0.150 CCCCCCCOCC(=O)C(=O)C 34a_100000210272_100011261029 [1,1,0,0,0,0|1,0,1]=4 10568 B13R0.150 CCCCCCCOCC(=O)C(C)C 34a_100000210272_100000753385 [1,1,0,0,0,0|1,0,0]=3 10569 B13R0.150 CCCCCCCOCC(=O)C(C)C 7a_100000210272_100000753385 [1,1,0,0,0,0|1,0,0]=3 10570 B13R0.150 CCCCCCCOCC(=O)N(C)C 34a_100000210272_100000692301 [1,1,0,0,0,0|2,0,0]=4 10571 B13R0.150 CCCCCCCOCC(=O)N(C)C 7a_100000210272_100000692301 [1,1,0,0,0,0|2,0,0]=4 10572 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100000210614_100011261029 [1,1,0,0,0,0|1,0,1]=4 10573 B13R0.150 CCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210316 [1,1,0,0,0,0|1,0,1]=4 10574 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000210614_100000753385 [1,1,0,0,0,0|1,0,0]=3 10575 B13R0.150 CCCCCCCSCC(=O)C(C)C 62a_100000753385_100000210316 [1,1,0,0,0,0|1,0,0]=3 10576 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000210614_100000692301 [1,1,0,0,0,0|2,0,0]=4 10577 B13R0.150 CCCCCCCSCC(=O)N(C)C 62a_100000692301_100000210316 [1,1,0,0,0,0|2,0,0]=4 10578 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000210581_100000737620 [1,1,0,0,0,0|2,0,0]=4 10579 B13R0.150 CCCCCCNCCC(=O)N(C)C 2230a_100000738053_100000210314 [1,1,0,0,0,0|2,0,0]=4 10580 B13R0.150 CCCCCCOCCC(=O)N(C)C 34a_200000747469_100000210314 [1,1,0,0,0,0|2,0,0]=4 10581 B13R0.150 CCCCCCOCCC(=O)N(C)C 7a_100000210259_100000737620 [1,1,0,0,0,0|2,0,0]=4 10582 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000210314_100000737620 [1,1,0,0,0,0|2,0,0]=4 10583 B13R0.150 CCCCCCSCCC(=O)N(C)C 62a_100000737620_100000210757 [1,1,0,0,0,0|2,0,0]=4 10584 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000139345_100000210757 [1,1,0,0,0,0|2,0,0]=4 10585 B13R0.150 CCCCCCSCOC(=O)C(C)C 62a_100000210314_100000139345 [1,1,0,0,0,0|2,0,0]=4 10586 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_100000209983_100000737642 [1,1,0,0,0,0|2,0,0]=4 10587 B13R0.150 CCCCCNCCCC(=O)N(C)C 2230a_200000744827_100000210326 [1,1,0,0,0,0|2,0,0]=4 10588 B13R0.150 CCCCCNCCNC(=O)C(C)C 2230a_100000752568_100000210326 [1,1,0,0,0,0|2,0,0]=4 10589 B13R0.150 CCCCCNCCNC(=O)C(C)C 34a_100000752568_100000718602 [1,1,0,0,0,0|2,0,0]=4 10590 B13R0.150 CCCCCOCCCC(=O)N(C)C 7a_100000210253_100000737642 [1,1,0,0,0,0|2,0,0]=4 10591 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000210326_100000737642 [1,1,0,0,0,0|2,0,0]=4 10592 B13R0.150 CCCCCSCCCC(=O)N(C)C 62a_100000737642_100000210326 [1,1,0,0,0,0|2,0,0]=4 10593 B13R0.150 CCCCNCCCCC(=O)N(C)C 7a_106832991798_100000752486 [1,1,0,0,0,0|2,0,0]=4 10594 B13R0.150 CCCCOCCCCC(=O)N(C)C 34a_100000210227_100000752486 [1,1,0,0,0,0|2,0,0]=4 10595 B13R0.150 CCCCOCCCCC(=O)N(C)C 7a_100000210227_100000752486 [1,1,0,0,0,0|2,0,0]=4 10596 B13R0.150 CCCCOCCCNC(=O)C(C)C 1626a_200000211371_100000210198 [1,1,0,0,0,0|2,0,0]=4 10597 B13R0.150 CCCCOCCCNC(=O)C(C)C 240690a_200000211371_100000210198 [1,1,0,0,0,0|2,0,0]=4 10598 B13R0.150 CCCCOCCCNC(=O)C(C)C 527a_200000211371_100000210198 [1,1,0,0,0,0|2,0,0]=4 10599 B13R0.150 CCCCOCCCNC(=O)C(C)F 1626a_200000211371_100000062450 [1,1,0,0,0,0|2,0,0]=4 10600 B13R0.150 CCCCOCCCNC(=O)C(C)F 240690a_200000211371_100000062450 [1,1,0,0,0,0|2,0,0]=4 10601 B13R0.150 CCCCOCCCNC(=O)C(C)F 527a_200000211371_100000062450 [1,1,0,0,0,0|2,0,0]=4 10602 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O 240690a_200000211371_100000717761 [1,1,0,0,0,0|2,0,0]=4 10603 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 1626a_200000211371_217856618621 [1,1,0,0,0,0|2,0,0]=4 10604 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 240690a_200000211371_217856618621 [1,1,0,0,0,0|2,0,0]=4 10605 B13R0.150 CCCCOCCOCC(=O)C(C)C 1458a_100011216887_100000210206 [1,1,0,0,0,0|2,0,0]=4 10606 B13R0.150 CCCCOCCOCC(=O)C(C)C 34a_100000210238_100000753385 [1,1,0,0,0,0|2,0,0]=4 10607 B13R0.150 CCCCOCCOCC(=O)C(C)C 7a_100000210238_100000753385 [1,1,0,0,0,0|2,0,0]=4 10608 B13R0.150 CCCCOCCSCC(=O)C(C)C 62a_100000743108_100000753385 [1,1,0,0,0,0|2,0,0]=4 10609 B13R0.150 CCCCOCCSCC(=O)C(C)C 62a_100000753385_100000743108 [1,1,0,0,0,0|2,0,0]=4 10610 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000210211_100000752486 [1,1,0,0,0,0|2,0,0]=4 10611 B13R0.150 CCCCSCCCCC(=O)N(C)C 62a_100000752486_100000210210 [1,1,0,0,0,0|2,0,0]=4 10612 B13R0.150 CCCCSCCNCC(=O)C(C)C 2230a_100025743550_100000753385 [1,1,0,0,0,0|2,0,0]=4 10613 B13R0.150 CCCCSCCOCC(=O)C(C)C 34a_200000230436_100000753385 [1,1,0,0,0,0|2,0,0]=4 10614 B13R0.150 CCCCSCCOCC(=O)C(C)C 7a_200000230436_100000753385 [1,1,0,0,0,0|2,0,0]=4 10615 B13R0.150 CCCOCCCNCC(=O)C(C)C 2230a_100011217757_100000753385 [1,1,0,0,0,0|2,0,0]=4 10616 B13R0.150 CCCOCCCNCC(=O)C(C)C 34a_100011217757_100000753385 [1,1,0,0,0,0|2,0,0]=4 10617 B13R0.150 CN(C)C(=O)CCCCCCCCO 240690a_100102631434_100000015970 [1,1,0,0,0,0|2,0,0]=4 10618 B13R0.150 CNCCCCCOCC(=O)C(C)C 34a_100000722520_100000753385 [1,1,0,0,0,0|2,0,0]=4 10619 B13R0.150 COCCCCCNCC(=O)C(C)C 2230a_100000747528_100000753385 [1,1,0,0,0,0|2,0,0]=4 10620 B13R0.150 COCCCCCNCC(=O)C(C)C 34a_100000747528_100000753385 [1,1,0,0,0,0|2,0,0]=4 10621 B13R0.150 C[C@@H](O)C(=O)CCCCCCCCO 1458a_100000717761_100000033203 [1,1,0,0,0,0|1,0,0]=3 10622 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 240690a_100011996573_100000717761 [1,1,0,0,0,0|2,0,0]=4 10623 B13R0.150 C[C@H](O)C(=O)CCCCCCCCO 1458a_217856618621_100000033203 [1,1,0,0,0,0|1,0,0]=3 10624 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 240690a_100011996573_217856618621 [1,1,0,0,0,0|2,0,0]=4 10625 B13R0.150 O=C(CCCCCCCCO)C(O)O 1458a_100000233687_100000033203 [1,1,0,0,0,0|2,0,0]=4 10626 B13R0.194 CCCCCC(=O)CCCC(=O)NC 1458a_100000212188_100000741757 [1,1,0,0,0,0|1,0,1]=4 10627 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000212188_100011218270 [1,1,0,0,0,0|0,0,1]=3 10628 B13R0.194 CCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210326 [1,1,0,0,0,0|0,0,1]=3 10629 B13R0.194 CCCCCC(=O)COCC(=O)CC 34a_100000725409_200012276598 [1,1,0,0,0,0|1,0,1]=4 10630 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_100000747405_200012276598 [1,1,0,0,0,0|1,0,1]=4 10631 B13R0.194 CCCCCC(=O)CSCC(=O)CC 62a_200012276598_100000747405 [1,1,0,0,0,0|1,0,1]=4 10632 B13R0.194 CCCCCC(=O)CSCC(=O)OC 1458a_100000191316_100000210326 [1,1,0,0,0,0|1,0,1]=4 10633 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_100000747449_200012276598 [1,1,0,0,0,0|1,0,1]=4 10634 B13R0.194 CCCCCC(=O)CSCC(=O)OC 62a_200012276598_100000747449 [1,1,0,0,0,0|1,0,1]=4 10635 B13R0.194 CCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000212188 [1,1,0,0,0,0|1,0,1]=4 10636 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000211957_100000737683 [1,1,0,0,0,0|2,0,0]=4 10637 B13R0.194 CCCCCC(C)NCCC(=O)NC 2230a_100000738227_200011218191 [1,1,0,0,0,0|2,0,0]=4 10638 B13R0.194 CCCCCC(C)NCCC(=O)NC 270004a_100000738227_100000211708 [1,1,0,0,0,0|2,0,0]=4 10639 B13R0.194 CCCCCC(C)NCCC(=O)NC 34a_100000738227_200011218191 [1,1,0,0,0,0|2,0,0]=4 10640 B13R0.194 CCCCCC(C)NCCC(=O)OC 2230a_100000211957_100000204255 [1,1,0,0,0,0|1,0,0]=3 10641 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100000754576_200011218191 [1,1,0,0,0,0|2,0,0]=4 10642 B13R0.194 CCCCCC(C)OCCC(=O)NC 34a_100011215632_100012179268 [1,1,0,0,0,0|2,0,0]=4 10643 B13R0.194 CCCCCC(C)OCCC(=O)NC 7a_100011215632_100000737683 [1,1,0,0,0,0|2,0,0]=4 10644 B13R0.194 CCCCCC(C)OCCC(=O)OC 34a_100011215632_100000742370 [1,1,0,0,0,0|1,0,0]=3 10645 B13R0.194 CCCCCC(C)OCCC(=O)OC 7a_100011215632_100000204255 [1,1,0,0,0,0|1,0,0]=3 10646 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_100000737683_200011218191 [1,1,0,0,0,0|2,0,0]=4 10647 B13R0.194 CCCCCC(C)SCCC(=O)NC 62a_200011218191_100000737683 [1,1,0,0,0,0|2,0,0]=4 10648 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_100000204255_200011218191 [1,1,0,0,0,0|1,0,0]=3 10649 B13R0.194 CCCCCC(C)SCCC(=O)OC 62a_200011218191_100000204255 [1,1,0,0,0,0|1,0,0]=3 10650 B13R0.194 CCCCCC(C)SCOC(=O)OC 62a_200011218191_100000139417 [1,1,0,0,0,0|2,0,0]=4 10651 B13R0.194 CCCCCC(O)CCCC(=O)NC 1626a_100102657272_100020618878 [1,1,0,0,0,0|1,0,0]=3 10652 B13R0.194 CCCCCC(O)CCCC(=O)NC 240690a_100102657272_100020618878 [1,1,0,0,0,0|1,0,0]=3 10653 B13R0.194 CCCCCC(O)CCCC(=O)NC 527a_100102657272_100020618878 [1,1,0,0,0,0|1,0,0]=3 10654 B13R0.194 CCCCCN(C)CCCC(=O)NC 2230a_100000223495_100000741757 [1,1,0,0,0,0|2,0,0]=4 10655 B13R0.194 CCCCCN(C)CCCC(=O)NC 269982a_100000223495_100000741757 [1,1,0,0,0,0|2,0,0]=4 10656 B13R0.194 CCCCCN(C)CCCC(=O)OC 2230a_100000223495_100011218270 [1,1,0,0,0,0|1,0,0]=3 10657 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000223495_100011218270 [1,1,0,0,0,0|1,0,0]=3 10658 B13R0.194 CCCCCN(C)CCCC(=O)OC 269982a_100000739225_100000210215 [1,1,0,0,0,0|1,0,0]=3 10659 B13R0.194 CCCCNC(=O)CCCC(=O)OC 11a_100000102301_100000239890 [1,1,0,0,0,0|1,0,1]=4 10660 B13R0.194 CCCCNC(=O)CCCC(=O)OC 1626a_100000102301_100000239890 [1,1,0,0,0,0|1,0,1]=4 10661 B13R0.194 CCCCNC(=O)CCCC(=O)OC 240690a_100000102301_100000239890 [1,1,0,0,0,0|1,0,1]=4 10662 B13R0.194 CCCCNC(=O)CCCC(=O)OC 527a_100000102301_100000239890 [1,1,0,0,0,0|1,0,1]=4 10663 B13R0.194 CCCOCC(=O)CCCC(=O)OC 1458a_100000745993_100011218270 [1,1,0,0,0,0|1,0,1]=4 10664 B13R0.194 CCCSCC(=O)CCCC(=O)OC 1458a_100000217233_100011218270 [1,1,0,0,0,0|1,0,1]=4 10665 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215890 [1,1,0,0,0,0|1,0,1]=4 10666 B13R0.194 CCOCCC(=O)CCCC(=O)OC 1458a_100000749530_100011218270 [1,1,0,0,0,0|1,0,1]=4 10667 B13R0.194 CCOCCN(C)CCCC(=O)OC 269982a_100000739225_100011215890 [1,1,0,0,0,0|2,0,0]=4 10668 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000230768_100011218270 [1,1,0,0,0,0|1,0,1]=4 10669 B13R0.194 CCSCCC(=O)CCCC(=O)OC 1458a_100000239890_100000757381 [1,1,0,0,0,0|1,0,1]=4 10670 B13R0.194 CCSCCN(C)CCCC(=O)OC 269982a_100000739225_100000757381 [1,1,0,0,0,0|2,0,0]=4 10671 B13R0.194 COC(=O)CCCC(=O)CCCCF 1458a_100000239890_100000729493 [1,1,0,0,0,0|1,0,1]=4 10672 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000239890_100000210776 [1,1,0,0,0,0|1,0,1]=4 10673 B13R0.194 COC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011218270 [1,1,0,0,0,0|1,0,1]=4 10674 B13R0.194 COC(=O)CCCC(=O)CCCSC 1458a_100000173376_100011218270 [1,1,0,0,0,0|1,0,1]=4 10675 B13R0.194 COC(=O)CCCN(C)CCCCF 269982a_100000739225_100000729493 [1,1,0,0,0,0|2,0,0]=4 10676 B13R0.194 COC(=O)CCCN(C)CCCCO 2230a_100000717598_100011218270 [1,1,0,0,0,0|2,0,0]=4 10677 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000717598_100011218270 [1,1,0,0,0,0|2,0,0]=4 10678 B13R0.194 COC(=O)CCCN(C)CCCCO 269982a_100000739225_100000210776 [1,1,0,0,0,0|2,0,0]=4 10679 B13R0.194 COC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100000747449 [1,1,0,0,0,0|2,0,0]=4 10680 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000740836 [1,1,0,0,0,0|1,0,1]=4 10681 B13R0.194 COCCCC(=O)CCCC(=O)OC 1458a_100000741012_100011218270 [1,1,0,0,0,0|1,0,1]=4 10682 B13R0.194 COCCCC(C)OCCC(=O)OC 34a_200011539412_100000742370 [1,1,0,0,0,0|2,0,0]=4 10683 B13R0.194 COCCCC(C)OCCC(=O)OC 7a_200011539412_100000204255 [1,1,0,0,0,0|2,0,0]=4 10684 B13R0.194 COCCCN(C)CCCC(=O)OC 2230a_100000224831_100011218270 [1,1,0,0,0,0|2,0,0]=4 10685 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000224831_100011218270 [1,1,0,0,0,0|2,0,0]=4 10686 B13R0.194 COCCCN(C)CCCC(=O)OC 269982a_100000739225_100000740836 [1,1,0,0,0,0|2,0,0]=4 10687 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000036694_100000210202 [1,1,0,0,0,0|0,0,1]=3 10688 B13R0.201 CCC(=O)CCCCCCC(=O)OC 1458a_100000210414_100009815986 [1,1,0,0,0,0|0,0,1]=3 10689 B13R0.201 CCC(=O)COCCCCC(=O)OC 34a_100000725409_100000204269 [1,1,0,0,0,0|1,0,1]=4 10690 B13R0.201 CCC(=O)COCCCCC(=O)OC 7a_100000059025_100000747405 [1,1,0,0,0,0|1,0,1]=4 10691 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000204269_100000747405 [1,1,0,0,0,0|1,0,1]=4 10692 B13R0.201 CCC(=O)CSCCCCC(=O)OC 62a_100000747405_100000204269 [1,1,0,0,0,0|1,0,1]=4 10693 B13R0.201 CCC(=O)NCCCCCC(=O)OC 188690a_100000184999_100000210414 [1,1,0,0,0,0|1,0,1]=4 10694 B13R0.201 CCC(C)CCCOCCC(=O)NC 7a_100011216074_100000737683 [1,1,0,0,0,0|2,0,0]=4 10695 B13R0.201 CCC(C)CCCOCCC(=O)OC 7a_100011216074_100000204255 [1,1,0,0,0,0|1,0,0]=3 10696 B13R0.201 CCC(C)CCNCCCC(=O)NC 2230a_100020591266_100000741757 [1,1,0,0,0,0|2,0,0]=4 10697 B13R0.201 CCC(C)CCNCCCC(=O)OC 2230a_100020591266_100011218270 [1,1,0,0,0,0|1,0,0]=3 10698 B13R0.201 CCC(C)CCOCCCC(=O)NC 7a_100011215188_100000741757 [1,1,0,0,0,0|2,0,0]=4 10699 B13R0.201 CCC(C)CCOCCCC(=O)OC 7a_100011215188_100011218270 [1,1,0,0,0,0|1,0,0]=3 10700 B13R0.201 CCC(C)CNCCCCC(=O)OC 2230a_100020588543_100000204269 [1,1,0,0,0,0|1,0,0]=3 10701 B13R0.201 CCC(C)CNCCOCC(=O)OC 2230a_100020588543_100000090808 [1,1,0,0,0,0|2,0,0]=4 10702 B13R0.201 CCC(C)COCCCCC(=O)OC 34a_100000059025_100000748023 [1,1,0,0,0,0|1,0,0]=3 10703 B13R0.201 CCC(C)COCCCCC(=O)OC 7a_100000059025_100000748023 [1,1,0,0,0,0|1,0,0]=3 10704 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000204269_100000748023 [1,1,0,0,0,0|1,0,0]=3 10705 B13R0.201 CCC(C)CSCCCCC(=O)OC 62a_100000748023_100000204269 [1,1,0,0,0,0|1,0,0]=3 10706 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000090808_100000748023 [1,1,0,0,0,0|2,0,0]=4 10707 B13R0.201 CCC(C)CSCCOCC(=O)OC 62a_100000748023_100000090808 [1,1,0,0,0,0|2,0,0]=4 10708 B13R0.201 CCC(C)NCCCCCC(=O)OC 2230a_100000209981_100009816466 [1,1,0,0,0,0|1,0,0]=3 10709 B13R0.201 CCC(C)OCCCCCC(=O)OC 34a_100000074720_100011215416 [1,1,0,0,0,0|1,0,0]=3 10710 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000074720_100000758301 [1,1,0,0,0,0|1,0,0]=3 10711 B13R0.201 CCC(C)OCCCCCC(=O)OC 7a_100000210228_100009816466 [1,1,0,0,0,0|1,0,0]=3 10712 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100000758301_100009816466 [1,1,0,0,0,0|1,0,0]=3 10713 B13R0.201 CCC(C)SCCCCCC(=O)OC 62a_100009816466_100000758301 [1,1,0,0,0,0|1,0,0]=3 10714 B13R0.201 CCC(O)CNCCCCC(=O)OC 2230a_100011218483_100000204269 [1,1,0,0,0,0|1,0,0]=3 10715 B13R0.201 CCC(O)CNCCOCC(=O)OC 2230a_100011218483_100000090808 [1,1,0,0,0,0|2,0,0]=4 10716 B13R0.201 CCC(O)COCCCCC(=O)OC 34a_100000059025_100011218378 [1,1,0,0,0,0|1,0,0]=3 10717 B13R0.201 CCC(O)COCCCCC(=O)OC 7a_100000059025_100011218378 [1,1,0,0,0,0|1,0,0]=3 10718 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100000204269_100011218378 [1,1,0,0,0,0|1,0,0]=3 10719 B13R0.201 CCC(O)CSCCCCC(=O)OC 62a_100011218378_100000204269 [1,1,0,0,0,0|1,0,0]=3 10720 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100000090808_100011218378 [1,1,0,0,0,0|2,0,0]=4 10721 B13R0.201 CCC(O)CSCCOCC(=O)OC 62a_100011218378_100000090808 [1,1,0,0,0,0|2,0,0]=4 10722 B13R0.201 CCN(C)CCCCCCC(=O)OC 2230a_100000225621_100009815986 [1,1,0,0,0,0|1,0,0]=3 10723 B13R0.201 CCN(C)CCCCCCC(=O)OC 269982a_100000225621_100009815986 [1,1,0,0,0,0|1,0,0]=3 10724 B13R0.201 CCN(C)CCCSCCC(=O)OC 62a_100000204255_100015186262 [1,1,0,0,0,0|2,0,0]=4 10725 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 34a_100000059025_100009816398 [1,1,0,0,0,0|1,0,0]=3 10726 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100000059025_100009816398 [1,1,0,0,0,0|1,0,0]=3 10727 B13R0.201 CC[C@H](C)COCCCCC(=O)OC 7a_100009816381_100000204269 [1,1,0,0,0,0|1,0,0]=3 10728 B13R0.201 CC[C@H](C)COCCOCC(=O)OC 7a_100009816381_100000090808 [1,1,0,0,0,0|2,0,0]=4 10729 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100000204269_100009816398 [1,1,0,0,0,0|1,0,0]=3 10730 B13R0.201 CC[C@H](C)CSCCCCC(=O)OC 62a_100009816398_100000204269 [1,1,0,0,0,0|1,0,0]=3 10731 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100000090808_100009816398 [1,1,0,0,0,0|2,0,0]=4 10732 B13R0.201 CC[C@H](C)CSCCOCC(=O)OC 62a_100009816398_100000090808 [1,1,0,0,0,0|2,0,0]=4 10733 B13R0.201 CNC(=O)CCCCCCC(=O)OC 11a_106832991635_100000036694 [1,1,0,0,0,0|1,0,1]=4 10734 B13R0.201 CNC(=O)CCCCCCC(=O)OC 1626a_100102657272_100000036694 [1,1,0,0,0,0|1,0,1]=4 10735 B13R0.201 CNC(=O)CCCCCCC(=O)OC 240690a_100102657272_100000036694 [1,1,0,0,0,0|1,0,1]=4 10736 B13R0.201 COC(=O)CCCCCCC(=O)CF 1458a_100000036694_100015361967 [1,1,0,0,0,0|1,0,1]=4 10737 B13R0.201 COC(=O)CCCCCCC(=O)CO 1458a_100000210174_100009815986 [1,1,0,0,0,0|1,0,1]=4 10738 B13R0.201 COC(=O)CCCCCN[C@H](C)CO 2230a_100000737577_100009816466 [1,1,0,0,0,0|2,0,0]=4 10739 B13R0.201 COC(=O)CCCCCOC(C)CF 34a_100016041109_100009816466 [1,1,0,0,0,0|2,0,0]=4 10740 B13R0.201 COC(=O)CCCCCOC(C)CF 7a_100016041109_100009816466 [1,1,0,0,0,0|2,0,0]=4 10741 B13R0.201 COC(=O)CCCCCOC(C)CN 34a_100000210904_100009816466 [1,1,0,0,0,0|2,0,0]=4 10742 B13R0.201 COC(=O)CCCCCOC(C)CO 34a_100000074720_100012180447 [1,1,0,0,0,0|2,0,0]=4 10743 B13R0.201 COC(=O)CCCCCOC(C)CO 7a_100000074720_100012180447 [1,1,0,0,0,0|2,0,0]=4 10744 B13R0.201 COC(=O)CCCCCSC(C)CO 62a_100012180447_100009816466 [1,1,0,0,0,0|2,0,0]=4 10745 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009816466_100009879195 [1,1,0,0,0,0|2,0,0]=4 10746 B13R0.201 COC(=O)CCCCCSC(C)OC 62a_100009879195_100009816466 [1,1,0,0,0,0|2,0,0]=4 10747 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100009816466_100016084084 [1,1,0,0,0,0|2,0,0]=4 10748 B13R0.201 COC(=O)CCCCCS[C@H](C)CO 62a_100016084084_100009816466 [1,1,0,0,0,0|2,0,0]=4 10749 B13R0.201 COC(=O)CCCCNCC(C)CO 34a_100000744482_100000204269 [1,1,0,0,0,0|2,0,0]=4 10750 B13R0.201 COC(=O)CCCCNC[C@@H](C)OC 2230a_100020591295_100000204269 [1,1,0,0,0,0|2,0,0]=4 10751 B13R0.201 COC(=O)CCCCNC[C@@H](F)CO 34a_100015665980_100000204269 [1,1,0,0,0,0|2,0,0]=4 10752 B13R0.201 COC(=O)CCCCNC[C@H](O)CO 2230a_100020644852_100000204269 [1,1,0,0,0,0|2,0,0]=4 10753 B13R0.201 COC(=O)CCCCOCC(C)CN 34a_100000744482_100000204269 [1,1,0,0,0,0|2,0,0]=4 10754 B13R0.201 COC(=O)CCCCOCC(C)OC 34a_100000690652_100000204269 [1,1,0,0,0,0|2,0,0]=4 10755 B13R0.201 COC(=O)CCCCOCC(Cl)CCl 34a_100000033668_100000204269 [1,1,0,0,0,0|2,0,0]=4 10756 B13R0.201 COC(=O)CCCCOCC(O)CO 34a_100000059025_100011219619 [1,1,0,0,0,0|2,0,0]=4 10757 B13R0.201 COC(=O)CCCCOCC(O)CO 7a_100000059025_100011219619 [1,1,0,0,0,0|2,0,0]=4 10758 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 34a_100000059025_100000059175 [1,1,0,0,0,0|2,0,0]=4 10759 B13R0.201 COC(=O)CCCCOC[C@@H](C)CO 7a_100000059025_100000059175 [1,1,0,0,0,0|2,0,0]=4 10760 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 34a_100000059025_100015614560 [1,1,0,0,0,0|2,0,0]=4 10761 B13R0.201 COC(=O)CCCCOC[C@@H](O)CF 7a_100000059025_100015614560 [1,1,0,0,0,0|2,0,0]=4 10762 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 34a_100000059025_100009815848 [1,1,0,0,0,0|2,0,0]=4 10763 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 7a_100000059025_100009815848 [1,1,0,0,0,0|2,0,0]=4 10764 B13R0.201 COC(=O)CCCCOC[C@H](F)CN 34a_100015665980_100000204269 [1,1,0,0,0,0|2,0,0]=4 10765 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100000204269_100011219619 [1,1,0,0,0,0|2,0,0]=4 10766 B13R0.201 COC(=O)CCCCSCC(O)CO 62a_100011219619_100000204269 [1,1,0,0,0,0|2,0,0]=4 10767 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000204269 [1,1,0,0,0,0|2,0,0]=4 10768 B13R0.201 COC(=O)CCCCSC[C@@H](C)CO 62a_100000204269_100000059175 [1,1,0,0,0,0|2,0,0]=4 10769 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100000204269_100015614560 [1,1,0,0,0,0|2,0,0]=4 10770 B13R0.201 COC(=O)CCCCSC[C@@H](O)CF 62a_100015614560_100000204269 [1,1,0,0,0,0|2,0,0]=4 10771 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100000204269_100009815848 [1,1,0,0,0,0|2,0,0]=4 10772 B13R0.201 COC(=O)CCCCSC[C@@H](O)CO 62a_100009815848_100000204269 [1,1,0,0,0,0|2,0,0]=4 10773 B13R0.201 COC(=O)CCCNCCC(C)CO 2230a_106354213184_100011218270 [1,1,0,0,0,0|2,0,0]=4 10774 B13R0.201 COC(=O)CCCNCCC(C)CO 34a_106354213184_100000742333 [1,1,0,0,0,0|2,0,0]=4 10775 B13R0.201 COC(=O)CCCOCCC(C)OC 7a_100000764861_100011218270 [1,1,0,0,0,0|2,0,0]=4 10776 B13R0.201 COC(=O)CCOCCC[C@@H](C)CN 34a_100160569302_100000742370 [1,1,0,0,0,0|2,0,0]=4 10777 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000059025_100000730704 [1,1,0,0,0,0|1,0,1]=4 10778 B13R0.202 C=C(C)CCOCCCCC(=O)OC 34a_100000764851_100000204269 [1,1,0,0,0,0|1,0,1]=4 10779 B13R0.202 C=C(C)CCOCCCCC(=O)OC 7a_100000059025_100000730704 [1,1,0,0,0,0|1,0,1]=4 10780 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000204269_100000730704 [1,1,0,0,0,0|1,0,1]=4 10781 B13R0.202 C=C(C)CCSCCCCC(=O)OC 62a_100000730704_100000204269 [1,1,0,0,0,0|1,0,1]=4 10782 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000074720_100000748629 [1,1,0,0,0,0|1,0,1]=4 10783 B13R0.202 C=C(C)COCCCCCC(=O)OC 34a_100000210245_100009816466 [1,1,0,0,0,0|1,0,1]=4 10784 B13R0.202 C=C(C)COCCCCCC(=O)OC 7a_100000074720_100000748629 [1,1,0,0,0,0|1,0,1]=4 10785 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100000748629_100009816466 [1,1,0,0,0,0|1,0,1]=4 10786 B13R0.202 C=C(C)CSCCCCCC(=O)OC 62a_100009816466_100000211660 [1,1,0,0,0,0|1,0,1]=4 10787 B13R0.202 CC(C)CCCCCCNC(=O)CO 240690a_100000211014_100000210174 [1,1,0,0,0,0|2,0,0]=4 10788 B13R0.202 CC(C)CCCCCCNC(=O)CO 527a_100000211014_100000210174 [1,1,0,0,0,0|2,0,0]=4 10789 B13R0.202 CCC(=O)COCCCCCC(C)C 34a_100000725409_100000210682 [1,1,0,0,0,0|1,0,0]=3 10790 B13R0.202 CCC(=O)COCCCCCC(C)C 7a_100011995859_100000747405 [1,1,0,0,0,0|1,0,0]=3 10791 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000210682_100000747405 [1,1,0,0,0,0|1,0,0]=3 10792 B13R0.202 CCC(=O)CSCCCCCC(C)C 62a_100000747405_100000210682 [1,1,0,0,0,0|1,0,0]=3 10793 B13R0.202 CCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210414 [1,1,0,0,0,0|1,0,0]=3 10794 B13R0.202 CCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210414 [1,1,0,0,0,0|1,0,0]=3 10795 B13R0.202 CCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210414 [1,1,0,0,0,0|1,0,0]=3 10796 B13R0.202 CCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210414 [1,1,0,0,0,0|1,0,0]=3 10797 B13R0.202 CCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000210414 [1,1,0,0,0,0|2,0,0]=4 10798 B13R0.202 CCC(=O)NCCNCCCC(C)C 34a_100132302217_100011214892 [1,1,0,0,0,0|2,0,0]=4 10799 B13R0.202 CCC(=O)NCCNCCCC(C)O 34a_100132302217_200000718107 [1,1,0,0,0,0|2,0,0]=4 10800 B13R0.202 CCC(=O)NCCOCCCC(C)C 34a_200000158885_100011214892 [1,1,0,0,0,0|2,0,0]=4 10801 B13R0.202 CCC(=O)NCCOCCCC(C)C 7a_200000158885_100011214892 [1,1,0,0,0,0|2,0,0]=4 10802 B13R0.202 CCC(=O)NCCOCCCC(C)O 34a_200000158885_200000718107 [1,1,0,0,0,0|2,0,0]=4 10803 B13R0.202 CCC(=O)NCCOCCCC(C)O 7a_200000158885_200000718107 [1,1,0,0,0,0|2,0,0]=4 10804 B13R0.202 CCC(=O)OCCOCCCC(C)C 7a_200000031056_100011214892 [1,1,0,0,0,0|2,0,0]=4 10805 B13R0.202 CCC(=O)OCCOCCCC(C)O 7a_200000031056_200000718107 [1,1,0,0,0,0|2,0,0]=4 10806 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_100000740002_100011214892 [1,1,0,0,0,0|2,0,0]=4 10807 B13R0.202 CNC(=O)CCCNCCCC(C)C 2230a_200000737386_100000741757 [1,1,0,0,0,0|2,0,0]=4 10808 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_100000740002_100011214892 [1,1,0,0,0,0|2,0,0]=4 10809 B13R0.202 CNC(=O)CCCNCCCC(C)C 34a_200000737386_100000741757 [1,1,0,0,0,0|2,0,0]=4 10810 B13R0.202 CNC(=O)CCCNCCCC(C)O 2230a_100000740002_200000718107 [1,1,0,0,0,0|2,0,0]=4 10811 B13R0.202 CNC(=O)CCCNCCCC(C)O 34a_100000740002_200000718107 [1,1,0,0,0,0|2,0,0]=4 10812 B13R0.202 CNC(=O)CCCOCCCC(C)C 34a_100000210774_100000741757 [1,1,0,0,0,0|2,0,0]=4 10813 B13R0.202 CNC(=O)CCCOCCCC(C)C 7a_100000210774_100000741757 [1,1,0,0,0,0|2,0,0]=4 10814 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100000741757_100011214892 [1,1,0,0,0,0|2,0,0]=4 10815 B13R0.202 CNC(=O)CCCSCCCC(C)C 62a_100011214892_100000741757 [1,1,0,0,0,0|2,0,0]=4 10816 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_100000741757_200000718107 [1,1,0,0,0,0|2,0,0]=4 10817 B13R0.202 CNC(=O)CCCSCCCC(C)O 62a_200000718107_100000741757 [1,1,0,0,0,0|2,0,0]=4 10818 B13R0.202 CNC(=O)CCNCCCCC(C)C 2230a_100000738227_100011216152 [1,1,0,0,0,0|2,0,0]=4 10819 B13R0.202 CNC(=O)CCNCCCCC(C)C 34a_100000738227_100011216152 [1,1,0,0,0,0|2,0,0]=4 10820 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100000754576_100011216152 [1,1,0,0,0,0|2,0,0]=4 10821 B13R0.202 CNC(=O)CCOCCCCC(C)C 34a_100011214890_100012179268 [1,1,0,0,0,0|2,0,0]=4 10822 B13R0.202 CNC(=O)CCOCCCCC(C)C 7a_100011214890_100000737683 [1,1,0,0,0,0|2,0,0]=4 10823 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100000737683_100011216152 [1,1,0,0,0,0|2,0,0]=4 10824 B13R0.202 CNC(=O)CCSCCCCC(C)C 62a_100011216152_100000737683 [1,1,0,0,0,0|2,0,0]=4 10825 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100000693194_100000210682 [1,1,0,0,0,0|2,0,0]=4 10826 B13R0.202 CNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183359 [1,1,0,0,0,0|2,0,0]=4 10827 B13R0.202 CNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183359 [1,1,0,0,0,0|2,0,0]=4 10828 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100000750040_100000210682 [1,1,0,0,0,0|2,0,0]=4 10829 B13R0.202 CNC(=O)COCCCCCC(C)C 34a_100011995859_100000183359 [1,1,0,0,0,0|2,0,0]=4 10830 B13R0.202 CNC(=O)COCCCCCC(C)C 7a_100011995859_100000183359 [1,1,0,0,0,0|2,0,0]=4 10831 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000183359_100000210682 [1,1,0,0,0,0|2,0,0]=4 10832 B13R0.202 CNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183359 [1,1,0,0,0,0|2,0,0]=4 10833 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100000211014_106832991635 [1,1,0,0,0,0|2,0,0]=4 10834 B13R0.202 CNC(=O)NCCCCCCC(C)C 2708a_100102657272_100000211014 [1,1,0,0,0,0|2,0,0]=4 10835 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100000211014_100102657272 [1,1,0,0,0,0|2,0,0]=4 10836 B13R0.202 CNC(=O)NCCCCCCC(C)C 273464a_100102657272_100000211014 [1,1,0,0,0,0|2,0,0]=4 10837 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_100000211014_100102657272 [1,1,0,0,0,0|2,0,0]=4 10838 B13R0.202 CNC(=O)NCCCCCCC(C)C 512a_106832991638_100000211014 [1,1,0,0,0,0|2,0,0]=4 10839 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000033222_200000210301 [1,1,0,0,0,0|0,0,1]=3 10840 B13R0.202 COC(=O)CCCCCCCC(=O)C 1458a_100000070787_100010004213 [1,1,0,0,0,0|0,0,1]=3 10841 B13R0.202 COC(=O)CCCCCCCC(=O)[13CH3] 1458a_100000033222_200025704644 [1,1,0,0,0,0|0,0,1]=3 10842 B13R0.202 COC(=O)CCCCCCCN(C)C 2230a_100102631434_100010004213 [1,1,0,0,0,0|1,0,0]=3 10843 B13R0.202 COC(=O)CCCCCCCN(C)C 269982a_100102631434_100010004213 [1,1,0,0,0,0|1,0,0]=3 10844 B13R0.202 COC(=O)CCCCCCNC(=O)C 188690a_100000739044_100015343762 [1,1,0,0,0,0|1,0,1]=4 10845 B13R0.202 COC(=O)CCCCCCNC(C)C 2230a_100138425928_100009815986 [1,1,0,0,0,0|1,0,0]=3 10846 B13R0.202 COC(=O)CCCCCCNC(C)C 34a_100138425928_100009815986 [1,1,0,0,0,0|1,0,0]=3 10847 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100000212225_100009815986 [1,1,0,0,0,0|1,0,0]=3 10848 B13R0.202 COC(=O)CCCCCCOC(C)C 34a_100009863599_100000210206 [1,1,0,0,0,0|1,0,0]=3 10849 B13R0.202 COC(=O)CCCCCCOC(C)C 7a_100009863599_100000210206 [1,1,0,0,0,0|1,0,0]=3 10850 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100000210206_100009815986 [1,1,0,0,0,0|1,0,0]=3 10851 B13R0.202 COC(=O)CCCCCCSC(C)C 62a_100009815986_100000210206 [1,1,0,0,0,0|1,0,0]=3 10852 B13R0.202 COC(=O)CCCCCNCC(C)C 2230a_100000210953_100009816466 [1,1,0,0,0,0|1,0,0]=3 10853 B13R0.202 COC(=O)CCCCCNCC(C)C 34a_100000210953_100009816466 [1,1,0,0,0,0|1,0,0]=3 10854 B13R0.202 COC(=O)CCCCCNCC(C)O 2230a_100000210904_100009816466 [1,1,0,0,0,0|1,0,0]=3 10855 B13R0.202 COC(=O)CCCCCNCC(C)O 34a_100000210904_100009816466 [1,1,0,0,0,0|1,0,0]=3 10856 B13R0.202 COC(=O)CCCCCNCC(F)F 34a_100000765723_100009816466 [1,1,0,0,0,0|2,0,0]=4 10857 B13R0.202 COC(=O)CCCCCOCC(=O)C 34a_100000211253_100009816466 [1,1,0,0,0,0|1,0,1]=4 10858 B13R0.202 COC(=O)CCCCCOCC(C)Br 34a_100012180447_100009816466 [1,1,0,0,0,0|1,0,0]=3 10859 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000074720_100000210624 [1,1,0,0,0,0|1,0,0]=3 10860 B13R0.202 COC(=O)CCCCCOCC(C)C 34a_100000210257_100009816466 [1,1,0,0,0,0|1,0,0]=3 10861 B13R0.202 COC(=O)CCCCCOCC(C)C 7a_100000074720_100000210760 [1,1,0,0,0,0|1,0,0]=3 10862 B13R0.202 COC(=O)CCCCCOCC(C)F 34a_100015925927_100009816466 [1,1,0,0,0,0|1,0,0]=3 10863 B13R0.202 COC(=O)CCCCCOCC(C)O 34a_100000074720_100011218427 [1,1,0,0,0,0|1,0,0]=3 10864 B13R0.202 COC(=O)CCCCCOCC(C)O 7a_100000074720_100011218427 [1,1,0,0,0,0|1,0,0]=3 10865 B13R0.202 COC(=O)CCCCCOCC(F)F 34a_100000074720_100011934356 [1,1,0,0,0,0|2,0,0]=4 10866 B13R0.202 COC(=O)CCCCCOCC(F)F 34a_100000743014_100009816466 [1,1,0,0,0,0|2,0,0]=4 10867 B13R0.202 COC(=O)CCCCCOCC(F)F 7a_100000074720_100011934356 [1,1,0,0,0,0|2,0,0]=4 10868 B13R0.202 COC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_100009816466 [1,1,0,0,0,0|1,0,0]=3 10869 B13R0.202 COC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_100009816466 [1,1,0,0,0,0|1,0,0]=3 10870 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 34a_100000074720_100009817552 [1,1,0,0,0,0|1,0,0]=3 10871 B13R0.202 COC(=O)CCCCCOC[C@@H](C)O 7a_100000074720_100009817552 [1,1,0,0,0,0|1,0,0]=3 10872 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100000210624_100009816466 [1,1,0,0,0,0|1,0,0]=3 10873 B13R0.202 COC(=O)CCCCCSCC(C)C 62a_100009816466_100000210760 [1,1,0,0,0,0|1,0,0]=3 10874 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100009816466_100011218427 [1,1,0,0,0,0|1,0,0]=3 10875 B13R0.202 COC(=O)CCCCCSCC(C)O 62a_100011218427_100009816466 [1,1,0,0,0,0|1,0,0]=3 10876 B13R0.202 COC(=O)CCCCCSCC(F)F 62a_100009816466_100011934356 [1,1,0,0,0,0|2,0,0]=4 10877 B13R0.202 COC(=O)CCCCCSCC(F)F 62a_100011934356_100009816466 [1,1,0,0,0,0|2,0,0]=4 10878 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009816466_100009817552 [1,1,0,0,0,0|1,0,0]=3 10879 B13R0.202 COC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_100009816466 [1,1,0,0,0,0|1,0,0]=3 10880 B13R0.202 COC(=O)CCCCNCCC(C)O 2230a_200000755665_100000204269 [1,1,0,0,0,0|1,0,0]=3 10881 B13R0.202 COC(=O)CCCCOCCC(=O)C 34a_100000759926_100000204269 [1,1,0,0,0,0|1,0,1]=4 10882 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000059025_100000053229 [1,1,0,0,0,0|1,0,1]=4 10883 B13R0.202 COC(=O)CCCCOCCC(=O)C 7a_100000759926_100000204269 [1,1,0,0,0,0|1,0,1]=4 10884 B13R0.202 COC(=O)CCCCOCCC(C)Br 34a_100009893172_100000204269 [1,1,0,0,0,0|1,0,0]=3 10885 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000059025_100000210312 [1,1,0,0,0,0|1,0,0]=3 10886 B13R0.202 COC(=O)CCCCOCCC(C)C 34a_100000210254_100000204269 [1,1,0,0,0,0|1,0,0]=3 10887 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000059025_100000210626 [1,1,0,0,0,0|1,0,0]=3 10888 B13R0.202 COC(=O)CCCCOCCC(C)C 7a_100000210254_100000204269 [1,1,0,0,0,0|1,0,0]=3 10889 B13R0.202 COC(=O)CCCCOCCC(C)O 34a_100000059025_100012276601 [1,1,0,0,0,0|1,0,0]=3 10890 B13R0.202 COC(=O)CCCCOCCC(C)O 7a_100000059025_100012276601 [1,1,0,0,0,0|1,0,0]=3 10891 B13R0.202 COC(=O)CCCCOCCC(F)F 34a_100103093639_100000204269 [1,1,0,0,0,0|2,0,0]=4 10892 B13R0.202 COC(=O)CCCCOCCN(C)C 7a_100000059025_100000755713 [1,1,0,0,0,0|2,0,0]=4 10893 B13R0.202 COC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100000204269 [1,1,0,0,0,0|1,0,0]=3 10894 B13R0.202 COC(=O)CCCCOCOC(C)C 34a_100000059025_100000709892 [1,1,0,0,0,0|2,0,0]=4 10895 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000053229_100000204269 [1,1,0,0,0,0|1,0,1]=4 10896 B13R0.202 COC(=O)CCCCSCCC(=O)C 62a_100000204269_100000053229 [1,1,0,0,0,0|1,0,1]=4 10897 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000204269_100000210312 [1,1,0,0,0,0|1,0,0]=3 10898 B13R0.202 COC(=O)CCCCSCCC(C)C 62a_100000210312_100000204269 [1,1,0,0,0,0|1,0,0]=3 10899 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100000204269_100012276601 [1,1,0,0,0,0|1,0,0]=3 10900 B13R0.202 COC(=O)CCCCSCCC(C)O 62a_100012276601_100000204269 [1,1,0,0,0,0|1,0,0]=3 10901 B13R0.202 COC(=O)CCCCSCCN(C)C 62a_100000204269_100000755713 [1,1,0,0,0,0|2,0,0]=4 10902 B13R0.202 COC(=O)CCCCSCOC(C)C 62a_100000204269_100000709892 [1,1,0,0,0,0|2,0,0]=4 10903 B13R0.202 COC(=O)CCCCSCOC(C)C 62a_100000709892_100000204269 [1,1,0,0,0,0|2,0,0]=4 10904 B13R0.202 COC(=O)CCCNCCCC(C)C 2230a_200000737386_100011218270 [1,1,0,0,0,0|1,0,0]=3 10905 B13R0.202 COC(=O)CCCNCCCC(C)C 34a_200000737386_100000742333 [1,1,0,0,0,0|1,0,0]=3 10906 B13R0.202 COC(=O)CCCNCCCS(=O)C 2230a_200000753449_100011218270 [1,1,0,0,0,0|2,0,0]=4 10907 B13R0.202 COC(=O)CCCNCCOC(C)C 2230a_100000701111_100011218270 [1,1,0,0,0,0|2,0,0]=4 10908 B13R0.202 COC(=O)CCCNCCOC(C)C 34a_100000701111_100000742333 [1,1,0,0,0,0|2,0,0]=4 10909 B13R0.202 COC(=O)CCCNCCSC(C)C 2230a_100000731138_100011218270 [1,1,0,0,0,0|2,0,0]=4 10910 B13R0.202 COC(=O)CCCNCCSC(C)C 34a_100000731138_100000742333 [1,1,0,0,0,0|2,0,0]=4 10911 B13R0.202 COC(=O)CCCOCCCC(=O)C 34a_100000759063_100000742333 [1,1,0,0,0,0|1,0,1]=4 10912 B13R0.202 COC(=O)CCCOCCCC(=O)C 7a_100000759063_100011218270 [1,1,0,0,0,0|1,0,1]=4 10913 B13R0.202 COC(=O)CCCOCCCC(C)C 34a_100000210774_100000742333 [1,1,0,0,0,0|1,0,0]=3 10914 B13R0.202 COC(=O)CCCOCCCC(C)C 7a_100000210774_100011218270 [1,1,0,0,0,0|1,0,0]=3 10915 B13R0.202 COC(=O)CCCOCCNC(C)C 34a_100000224655_100000742333 [1,1,0,0,0,0|2,0,0]=4 10916 B13R0.202 COC(=O)CCCOCCOC(C)C 34a_100000211219_100000742333 [1,1,0,0,0,0|2,0,0]=4 10917 B13R0.202 COC(=O)CCCOCCOC(C)C 7a_100000211219_100011218270 [1,1,0,0,0,0|2,0,0]=4 10918 B13R0.202 COC(=O)CCCOCCSC(C)C 34a_200011212901_100000742333 [1,1,0,0,0,0|2,0,0]=4 10919 B13R0.202 COC(=O)CCCOCCSC(C)C 7a_200011212901_100011218270 [1,1,0,0,0,0|2,0,0]=4 10920 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011215641_100011218270 [1,1,0,0,0,0|1,0,1]=4 10921 B13R0.202 COC(=O)CCCSCCCC(=O)C 62a_100011218270_100011215641 [1,1,0,0,0,0|1,0,1]=4 10922 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011214892_100011218270 [1,1,0,0,0,0|1,0,0]=3 10923 B13R0.202 COC(=O)CCCSCCCC(C)C 62a_100011218270_100011214892 [1,1,0,0,0,0|1,0,0]=3 10924 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_100011218270_200000718107 [1,1,0,0,0,0|1,0,0]=3 10925 B13R0.202 COC(=O)CCCSCCCC(C)O 62a_200000718107_100011218270 [1,1,0,0,0,0|1,0,0]=3 10926 B13R0.202 COC(=O)CCCSCCCN(C)C 62a_100011218270_100000757444 [1,1,0,0,0,0|2,0,0]=4 10927 B13R0.202 COC(=O)CCCSCCOC(C)C 62a_100000211751_100011218270 [1,1,0,0,0,0|2,0,0]=4 10928 B13R0.202 COC(=O)CCCSCCOC(C)C 62a_100011218270_100000211751 [1,1,0,0,0,0|2,0,0]=4 10929 B13R0.202 COC(=O)CCCSCCSC(C)C 62a_100000730970_100011218270 [1,1,0,0,0,0|2,0,0]=4 10930 B13R0.202 COC(=O)CCCSCCSC(C)C 62a_100011218270_100000730970 [1,1,0,0,0,0|2,0,0]=4 10931 B13R0.202 COC(=O)CCNCCCOC(C)C 2230a_100000737246_100000204255 [1,1,0,0,0,0|2,0,0]=4 10932 B13R0.202 COC(=O)CCNCCCOC(C)C 34a_100000737246_100000742370 [1,1,0,0,0,0|2,0,0]=4 10933 B13R0.202 COC(=O)CCOCCCCC(C)C 34a_100011214890_100000742370 [1,1,0,0,0,0|1,0,0]=3 10934 B13R0.202 COC(=O)CCOCCCCC(C)C 7a_100011214890_100000204255 [1,1,0,0,0,0|1,0,0]=3 10935 B13R0.202 COC(=O)CCOCCCNC(C)C 34a_100000182298_100000742370 [1,1,0,0,0,0|2,0,0]=4 10936 B13R0.202 COC(=O)CCOCCNCC(C)C 34a_100015185251_100000742370 [1,1,0,0,0,0|2,0,0]=4 10937 B13R0.202 COC(=O)CCOCCOCC(C)C 34a_100000703358_100000742370 [1,1,0,0,0,0|2,0,0]=4 10938 B13R0.202 COC(=O)CCOCCOCC(C)C 7a_100000703358_100000204255 [1,1,0,0,0,0|2,0,0]=4 10939 B13R0.202 COC(=O)CCOCCSCC(C)C 34a_200000230437_100000742370 [1,1,0,0,0,0|2,0,0]=4 10940 B13R0.202 COC(=O)CCOCCSCC(C)C 7a_200000230437_100000204255 [1,1,0,0,0,0|2,0,0]=4 10941 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000204255_100000735457 [1,1,0,0,0,0|1,0,1]=4 10942 B13R0.202 COC(=O)CCSCCCCC(=O)C 62a_100000735457_100000204255 [1,1,0,0,0,0|1,0,1]=4 10943 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100000204255_100011216152 [1,1,0,0,0,0|1,0,0]=3 10944 B13R0.202 COC(=O)CCSCCCCC(C)C 62a_100011216152_100000204255 [1,1,0,0,0,0|1,0,0]=3 10945 B13R0.202 COC(=O)CCSCCCCN(C)C 62a_100000204255_100000690147 [1,1,0,0,0,0|2,0,0]=4 10946 B13R0.202 COC(=O)CNCCCCCC(C)C 2230a_100011290863_100000747449 [1,1,0,0,0,0|1,0,0]=3 10947 B13R0.202 COC(=O)CNCCCCCC(C)C 34a_100011290863_100000747449 [1,1,0,0,0,0|1,0,0]=3 10948 B13R0.202 COC(=O)CNCCCOCC(C)C 2230a_100000205972_100000747449 [1,1,0,0,0,0|2,0,0]=4 10949 B13R0.202 COC(=O)CNCCCOCC(C)C 34a_100000205972_100000747449 [1,1,0,0,0,0|2,0,0]=4 10950 B13R0.202 COC(=O)COCCCCCC(C)C 34a_100011995859_100000747449 [1,1,0,0,0,0|1,0,0]=3 10951 B13R0.202 COC(=O)COCCCCCC(C)C 7a_100011995859_100000747449 [1,1,0,0,0,0|1,0,0]=3 10952 B13R0.202 COC(=O)COCCCCNC(C)C 34a_100011521146_100000747449 [1,1,0,0,0,0|2,0,0]=4 10953 B13R0.202 COC(=O)COCCNCCC(C)O 2230a_200000755665_100000090808 [1,1,0,0,0,0|2,0,0]=4 10954 B13R0.202 COC(=O)COCCOCCC(C)Br 34a_100009893172_100000090808 [1,1,0,0,0,0|2,0,0]=4 10955 B13R0.202 COC(=O)COCCOCCC(C)C 34a_100000210254_100000090808 [1,1,0,0,0,0|2,0,0]=4 10956 B13R0.202 COC(=O)COCCOCCC(C)C 7a_100000210254_100000090808 [1,1,0,0,0,0|2,0,0]=4 10957 B13R0.202 COC(=O)COCCOCC[C@@H](C)N 34a_100000706166_100000090808 [1,1,0,0,0,0|2,0,0]=4 10958 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000090808_100000210312 [1,1,0,0,0,0|2,0,0]=4 10959 B13R0.202 COC(=O)COCCSCCC(C)C 62a_100000210312_100000090808 [1,1,0,0,0,0|2,0,0]=4 10960 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100000090808_100012276601 [1,1,0,0,0,0|2,0,0]=4 10961 B13R0.202 COC(=O)COCCSCCC(C)O 62a_100012276601_100000090808 [1,1,0,0,0,0|2,0,0]=4 10962 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000210682_100000747449 [1,1,0,0,0,0|1,0,0]=3 10963 B13R0.202 COC(=O)CSCCCCCC(C)C 62a_100000747449_100000210682 [1,1,0,0,0,0|1,0,0]=3 10964 B13R0.202 COC(=O)NCCOCCCC(C)C 34a_100000757965_100011214892 [1,1,0,0,0,0|2,0,0]=4 10965 B13R0.202 COC(=O)NCCOCCCC(C)O 34a_100000757965_200000718107 [1,1,0,0,0,0|2,0,0]=4 10966 B13R0.202 COC(=O)OCCOCCCC(C)C 34a_100010262106_100011214892 [1,1,0,0,0,0|2,0,0]=4 10967 B13R0.202 COC(=O)OCCOCCCC(C)O 34a_100010262106_200000718107 [1,1,0,0,0,0|2,0,0]=4 10968 B13R0.202 COC(=O)OCSCCCCC(C)C 62a_100011216152_100000139417 [1,1,0,0,0,0|2,0,0]=4 10969 B13R0.274 CCC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747405 [1,1,0,0,0,0|1,0,1]=4 10970 B13R0.274 CCC(=O)CC(=O)CCCCCOC 1458a_100011935119_100000747405 [1,1,0,0,0,0|1,0,1]=4 10971 B13R0.274 CCCCCCCC(=O)CC(=O)CC 1458a_100000211969_100000747405 [1,1,0,0,0,0|0,0,1]=3 10972 B13R0.274 CCCCCCCC(=O)CC(=O)NC 1458a_100000211969_100000183359 [1,1,0,0,0,0|1,0,1]=4 10973 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210614 [1,1,0,0,0,0|0,0,1]=3 10974 B13R0.274 CCCCCCCC(=O)CC(=O)OC 1458a_100000211969_100000747449 [1,1,0,0,0,0|0,0,1]=3 10975 B13R0.274 CCCCCCCC(O)CC(=O)CC 1458a_200011667753_100000210202 [1,1,0,0,0,0|0,0,0]=2 10976 B13R0.274 CCCCCCCC(O)CC(=O)CF 1458a_200011667753_100015361967 [1,1,0,0,0,0|1,0,0]=3 10977 B13R0.274 CCCCCCCC(O)CC(=O)NC 1626a_100102657272_200011667753 [1,1,0,0,0,0|1,0,0]=3 10978 B13R0.274 CCCCCCCC(O)CC(=O)NC 240690a_100102657272_200011667753 [1,1,0,0,0,0|1,0,0]=3 10979 B13R0.274 CCCCCCCN(C)CC(=O)CC 269982a_100000228206_100000747405 [1,1,0,0,0,0|1,0,0]=3 10980 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000189611_100000210681 [1,1,0,0,0,0|2,0,0]=4 10981 B13R0.274 CCCCCCCN(C)CC(=O)NC 2230a_100000228206_100000183359 [1,1,0,0,0,0|2,0,0]=4 10982 B13R0.274 CCCCCCCN(C)CC(=O)NC 269982a_100000228206_100000183359 [1,1,0,0,0,0|2,0,0]=4 10983 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000198492_100000210681 [1,1,0,0,0,0|1,0,0]=3 10984 B13R0.274 CCCCCCCN(C)CC(=O)OC 2230a_100000228206_100000747449 [1,1,0,0,0,0|1,0,0]=3 10985 B13R0.274 CCCCCCCN(C)CC(=O)OC 269982a_100000228206_100000747449 [1,1,0,0,0,0|1,0,0]=3 10986 B13R0.274 CCCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230325 [1,1,0,0,0,0|1,0,1]=4 10987 B13R0.274 CCCCCCNC(=O)CC(=O)OC 240690a_100000210581_100000211351 [1,1,0,0,0,0|1,0,1]=4 10988 B13R0.274 CCCCCCNC(C)CC(=O)OC 2230a_100000210581_100009817358 [1,1,0,0,0,0|1,0,0]=3 10989 B13R0.274 CCCCCCOC(C)CC(=O)OC 34a_100000210259_100009817358 [1,1,0,0,0,0|1,0,0]=3 10990 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a_100000210259_100009817358 [1,1,0,0,0,0|1,0,0]=3 10991 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100000210314_100009817358 [1,1,0,0,0,0|1,0,0]=3 10992 B13R0.274 CCCCCCSC(C)CC(=O)OC 62a_100009817358_100000210757 [1,1,0,0,0,0|1,0,0]=3 10993 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 34a_100000210253_100000754131 [1,1,0,0,0,0|1,0,0]=3 10994 B13R0.274 CCCCCOC[C@H](O)CC(=O)OC 7a_100000210253_100000754131 [1,1,0,0,0,0|1,0,0]=3 10995 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210326_100000210525 [1,1,0,0,0,0|1,0,1]=4 10996 B13R0.274 CCCCCSCC(=O)CC(=O)OC 62a_100000210525_100000210326 [1,1,0,0,0,0|1,0,1]=4 10997 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000210326_100000754131 [1,1,0,0,0,0|1,0,0]=3 10998 B13R0.274 CCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210326 [1,1,0,0,0,0|1,0,0]=3 10999 B13R0.274 CCCCOCCC(=O)CC(=O)OC 1458a_100000211351_100000743108 [1,1,0,0,0,0|1,0,1]=4 11000 B13R0.274 CCCCOCCN(C)CC(=O)OC 2230a_100000198492_100000743108 [1,1,0,0,0,0|2,0,0]=4 11001 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100009817358_100011995733 [1,1,0,0,0,0|2,0,0]=4 11002 B13R0.274 CCCCOCSC(C)CC(=O)OC 62a_100011995733_100009817358 [1,1,0,0,0,0|2,0,0]=4 11003 B13R0.274 CCCOCCNC(C)CC(=O)OC 2230a_100161115042_100009817358 [1,1,0,0,0,0|2,0,0]=4 11004 B13R0.274 CCCOCCNC(C)CC(=O)OC 34a_100161115042_100009817358 [1,1,0,0,0,0|2,0,0]=4 11005 B13R0.274 CCCOCCOC(C)CC(=O)OC 34a_100000752267_100009817358 [1,1,0,0,0,0|2,0,0]=4 11006 B13R0.274 CCCOCCOC(C)CC(=O)OC 7a_100000752267_100009817358 [1,1,0,0,0,0|2,0,0]=4 11007 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100009817358_100011215938 [1,1,0,0,0,0|2,0,0]=4 11008 B13R0.274 CCCOCCSC(C)CC(=O)OC 62a_100011215938_100009817358 [1,1,0,0,0,0|2,0,0]=4 11009 B13R0.274 CCCSCCNC(C)CC(=O)OC 2230a_100020603323_100009817358 [1,1,0,0,0,0|2,0,0]=4 11010 B13R0.274 CCCSCCOC(C)CC(=O)OC 34a_200000230433_100009817358 [1,1,0,0,0,0|2,0,0]=4 11011 B13R0.274 CCCSCCOC(C)CC(=O)OC 7a_200000230433_100009817358 [1,1,0,0,0,0|2,0,0]=4 11012 B13R0.274 CCOCCCNC(C)CC(=O)OC 2230a_100000210961_100009817358 [1,1,0,0,0,0|2,0,0]=4 11013 B13R0.274 CCOCCCNC(C)CC(=O)OC 34a_100000210961_100009817358 [1,1,0,0,0,0|2,0,0]=4 11014 B13R0.274 CCOCCCOC(C)CC(=O)OC 34a_100000757476_100009817358 [1,1,0,0,0,0|2,0,0]=4 11015 B13R0.274 CCOCCCOC(C)CC(=O)OC 7a_100000757476_100009817358 [1,1,0,0,0,0|2,0,0]=4 11016 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100009817358_100012232248 [1,1,0,0,0,0|2,0,0]=4 11017 B13R0.274 CCOCCCSC(C)CC(=O)OC 62a_100012232248_100009817358 [1,1,0,0,0,0|2,0,0]=4 11018 B13R0.274 CCOCCNC[C@H](O)CC(=O)OC 34a_102516460346_100000754131 [1,1,0,0,0,0|2,0,0]=4 11019 B13R0.274 CCOCCOC[C@H](O)CC(=O)OC 34a_100000210136_100000754131 [1,1,0,0,0,0|2,0,0]=4 11020 B13R0.274 CCOCCOC[C@H](O)CC(=O)OC 7a_100000210136_100000754131 [1,1,0,0,0,0|2,0,0]=4 11021 B13R0.274 CCOCCSC[C@H](O)CC(=O)OC 62a_100000210147_100000754131 [1,1,0,0,0,0|2,0,0]=4 11022 B13R0.274 CCOCCSC[C@H](O)CC(=O)OC 62a_100000754131_100011215890 [1,1,0,0,0,0|2,0,0]=4 11023 B13R0.274 CCSCCCOC(C)CC(=O)OC 34a_100011216438_100009817358 [1,1,0,0,0,0|2,0,0]=4 11024 B13R0.274 CCSCCCOC(C)CC(=O)OC 7a_100011216438_100009817358 [1,1,0,0,0,0|2,0,0]=4 11025 B13R0.274 CCSCCOC[C@H](O)CC(=O)OC 34a_100000212035_100000754131 [1,1,0,0,0,0|2,0,0]=4 11026 B13R0.274 CCSCCOC[C@H](O)CC(=O)OC 7a_100000212035_100000754131 [1,1,0,0,0,0|2,0,0]=4 11027 B13R0.274 CCSCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000757381 [1,1,0,0,0,0|2,0,0]=4 11028 B13R0.274 CCSCCSC[C@H](O)CC(=O)OC 62a_100000757381_100000754131 [1,1,0,0,0,0|2,0,0]=4 11029 B13R0.274 CNCCCOC[C@H](O)CC(=O)OC 34a_100000213112_100000754131 [1,1,0,0,0,0|2,0,0]=4 11030 B13R0.274 COC(=O)CC(=O)CCCCCCF 1458a_100000211351_100015922095 [1,1,0,0,0,0|1,0,1]=4 11031 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100000211351_100000766143 [1,1,0,0,0,0|1,0,1]=4 11032 B13R0.274 COC(=O)CC(=O)CCCCCCO 1458a_100011996774_100000747449 [1,1,0,0,0,0|1,0,1]=4 11033 B13R0.274 COC(=O)CC(C)NCCCCCO 2230a_100000762737_100009817358 [1,1,0,0,0,0|2,0,0]=4 11034 B13R0.274 COC(=O)CC(C)NCCCCCO 34a_100000762737_100009817358 [1,1,0,0,0,0|2,0,0]=4 11035 B13R0.274 COC(=O)CC(C)OCCCCCBr 34a_100000746331_100009817358 [1,1,0,0,0,0|2,0,0]=4 11036 B13R0.274 COC(=O)CC(C)OCCCCCBr 7a_100000746331_100009817358 [1,1,0,0,0,0|2,0,0]=4 11037 B13R0.274 COC(=O)CC(C)OCCCCCCl 34a_100000746330_100009817358 [1,1,0,0,0,0|2,0,0]=4 11038 B13R0.274 COC(=O)CC(C)OCCCCCCl 7a_100000746330_100009817358 [1,1,0,0,0,0|2,0,0]=4 11039 B13R0.274 COC(=O)CC(C)OCCCCCI 34a_200012148887_100009817358 [1,1,0,0,0,0|2,0,0]=4 11040 B13R0.274 COC(=O)CC(C)OCCCCCI 7a_200012148887_100009817358 [1,1,0,0,0,0|2,0,0]=4 11041 B13R0.274 COC(=O)CC(C)OCCCCCN 34a_100000762737_100009817358 [1,1,0,0,0,0|2,0,0]=4 11042 B13R0.274 COC(=O)CC(C)OCCCCSC 34a_100011217163_100009817358 [1,1,0,0,0,0|2,0,0]=4 11043 B13R0.274 COC(=O)CC(C)OCCCCSC 7a_100011217163_100009817358 [1,1,0,0,0,0|2,0,0]=4 11044 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100000729378_100009817358 [1,1,0,0,0,0|2,0,0]=4 11045 B13R0.274 COC(=O)CC(C)SCCCCCF 62a_100009817358_100000729378 [1,1,0,0,0,0|2,0,0]=4 11046 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100000746330_100009817358 [1,1,0,0,0,0|2,0,0]=4 11047 B13R0.274 COC(=O)CC(C)SCCCCCO 62a_100009817358_100000746330 [1,1,0,0,0,0|2,0,0]=4 11048 B13R0.274 COC(=O)CN(C)CCCCCCF 2230a_100000198492_100015922095 [1,1,0,0,0,0|2,0,0]=4 11049 B13R0.274 COC(=O)CN(C)CCCCCCO 2230a_100000198492_100000766143 [1,1,0,0,0,0|2,0,0]=4 11050 B13R0.274 COC(=O)C[C@@H](O)CNCCCCO 34a_100000750430_100000754131 [1,1,0,0,0,0|2,0,0]=4 11051 B13R0.274 COC(=O)C[C@@H](O)COCCCCBr 34a_100011216708_100000754131 [1,1,0,0,0,0|2,0,0]=4 11052 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 34a_100000210776_100000754131 [1,1,0,0,0,0|2,0,0]=4 11053 B13R0.274 COC(=O)C[C@@H](O)COCCCCCl 7a_100000210776_100000754131 [1,1,0,0,0,0|2,0,0]=4 11054 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 34a_100011995726_100000754131 [1,1,0,0,0,0|2,0,0]=4 11055 B13R0.274 COC(=O)C[C@@H](O)COCCCCF 7a_100011995726_100000754131 [1,1,0,0,0,0|2,0,0]=4 11056 B13R0.274 COC(=O)C[C@@H](O)COCCCCI 34a_200012148704_100000754131 [1,1,0,0,0,0|2,0,0]=4 11057 B13R0.274 COC(=O)C[C@@H](O)COCCCCN 34a_100000750430_100000754131 [1,1,0,0,0,0|2,0,0]=4 11058 B13R0.274 COC(=O)C[C@@H](O)COCCCSC 34a_100000690336_100000754131 [1,1,0,0,0,0|2,0,0]=4 11059 B13R0.274 COC(=O)C[C@@H](O)COCCCSC 7a_100000690336_100000754131 [1,1,0,0,0,0|2,0,0]=4 11060 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000729493_100000754131 [1,1,0,0,0,0|2,0,0]=4 11061 B13R0.274 COC(=O)C[C@@H](O)CSCCCCF 62a_100000754131_100000729493 [1,1,0,0,0,0|2,0,0]=4 11062 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000210776_100000754131 [1,1,0,0,0,0|2,0,0]=4 11063 B13R0.274 COC(=O)C[C@@H](O)CSCCCCO 62a_100000754131_100000210776 [1,1,0,0,0,0|2,0,0]=4 11064 B13R0.274 COCCCCCC(=O)CC(=O)OC 1458a_100011935119_100000747449 [1,1,0,0,0,0|1,0,1]=4 11065 B13R0.274 COCCCCOC(C)CC(=O)OC 34a_100000740925_100009817358 [1,1,0,0,0,0|2,0,0]=4 11066 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100000730899_100009817358 [1,1,0,0,0,0|2,0,0]=4 11067 B13R0.274 COCCCCSC(C)CC(=O)OC 62a_100009817358_100000730899 [1,1,0,0,0,0|2,0,0]=4 11068 B13R0.274 COCCCNC[C@H](O)CC(=O)OC 34a_100150723488_100000754131 [1,1,0,0,0,0|2,0,0]=4 11069 B13R0.274 COCCCOC[C@H](O)CC(=O)OC 34a_100000740835_100000754131 [1,1,0,0,0,0|2,0,0]=4 11070 B13R0.274 COCCCSC[C@H](O)CC(=O)OC 62a_100000709357_100000754131 [1,1,0,0,0,0|2,0,0]=4 11071 B13R0.274 COCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000709357 [1,1,0,0,0,0|2,0,0]=4 11072 B13R0.412 CCCCCCCCCN(CC)CC 2230a_100000724800_100011214924 [1,1,0,0,0,0|2,0,0]=4 11073 B13R0.412 CCCCCCCCCN(CC)CC 269956a_100000042499_100000210670 [1,1,0,0,0,0|2,0,0]=4 11074 B13R0.412 CCCCCCCCCN(CC)CC 269982a_100000724800_100000210670 [1,1,0,0,0,0|2,0,0]=4 11075 B13R0.412 CCCCOCCCCN(CC)N=O 34a_200000035056_100000210210 [1,1,0,0,0,0|2,0,0]=4 11076 B13R0.1170 CCCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210757 [1,1,0,0,0,0|1,0,1]=4 11077 B13R0.1170 CCCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210757 [1,1,0,0,0,0|0,0,1]=3 11078 B13R0.1170 CCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210757 [1,1,0,0,0,0|1,0,1]=4 11079 B13R0.1170 CCCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210757 [1,1,0,0,0,0|1,0,1]=4 11080 B13R0.1170 CCCCCCC(=O)CNC(=O)OC 1458a_100000215747_100000210757 [1,1,0,0,0,0|1,0,1]=4 11081 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 188690a_100000185156_100102632555 [1,1,0,0,0,0|1,0,1]=4 11082 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000210919_100000183359 [1,1,0,0,0,0|2,0,0]=4 11083 B13R0.1170 CCCCCCC(C)NCC(=O)NC 2230a_100000693194_100011215978 [1,1,0,0,0,0|2,0,0]=4 11084 B13R0.1170 CCCCCCC(C)NCC(=O)NC 270004a_100000693194_100000210826 [1,1,0,0,0,0|2,0,0]=4 11085 B13R0.1170 CCCCCCC(C)NCC(=O)NC 34a_100000210919_100000183359 [1,1,0,0,0,0|2,0,0]=4 11086 B13R0.1170 CCCCCCC(C)NCC(=O)OC 2230a_100000210919_100000747449 [1,1,0,0,0,0|1,0,0]=3 11087 B13R0.1170 CCCCCCC(C)NCC(=O)OC 34a_100000210919_100000747449 [1,1,0,0,0,0|1,0,0]=3 11088 B13R0.1170 CCCCCCC(C)OCC(=O)CC 34a_100000725409_100011215978 [1,1,0,0,0,0|1,0,0]=3 11089 B13R0.1170 CCCCCCC(C)OCC(=O)CC 7a_100000210265_100000747405 [1,1,0,0,0,0|1,0,0]=3 11090 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000210265_100000183359 [1,1,0,0,0,0|2,0,0]=4 11091 B13R0.1170 CCCCCCC(C)OCC(=O)NC 34a_100000750040_100011215978 [1,1,0,0,0,0|2,0,0]=4 11092 B13R0.1170 CCCCCCC(C)OCC(=O)NC 7a_100000210265_100000183359 [1,1,0,0,0,0|2,0,0]=4 11093 B13R0.1170 CCCCCCC(C)OCC(=O)OC 34a_100000210265_100000747449 [1,1,0,0,0,0|1,0,0]=3 11094 B13R0.1170 CCCCCCC(C)OCC(=O)OC 7a_100000210265_100000747449 [1,1,0,0,0,0|1,0,0]=3 11095 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100000747405_100011215978 [1,1,0,0,0,0|1,0,0]=3 11096 B13R0.1170 CCCCCCC(C)SCC(=O)CC 62a_100011215978_100000747405 [1,1,0,0,0,0|1,0,0]=3 11097 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100000183359_100011215978 [1,1,0,0,0,0|2,0,0]=4 11098 B13R0.1170 CCCCCCC(C)SCC(=O)NC 62a_100011215978_100000183359 [1,1,0,0,0,0|2,0,0]=4 11099 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100000747449_100011215978 [1,1,0,0,0,0|1,0,0]=3 11100 B13R0.1170 CCCCCCC(C)SCC(=O)OC 62a_100011215978_100000747449 [1,1,0,0,0,0|1,0,0]=3 11101 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210314 [1,1,0,0,0,0|2,0,0]=4 11102 B13R0.1170 CCCCCCN(C)CCC(=O)NC 2230a_106256046315_100000737683 [1,1,0,0,0,0|2,0,0]=4 11103 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210757 [1,1,0,0,0,0|2,0,0]=4 11104 B13R0.1170 CCCCCCN(C)CCC(=O)NC 269982a_106256046315_100000737683 [1,1,0,0,0,0|2,0,0]=4 11105 B13R0.1170 CCCCCCN(C)CCC(=O)OC 2230a_106256046315_100000204255 [1,1,0,0,0,0|1,0,0]=3 11106 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210757 [1,1,0,0,0,0|1,0,0]=3 11107 B13R0.1170 CCCCCCN(C)CCC(=O)OC 269982a_106256046315_100000204255 [1,1,0,0,0,0|1,0,0]=3 11108 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 11a_100000209983_100000187943 [1,1,0,0,0,0|1,0,1]=4 11109 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 1626a_100000209983_100000187943 [1,1,0,0,0,0|1,0,1]=4 11110 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 240690a_100000209983_100000187943 [1,1,0,0,0,0|1,0,1]=4 11111 B13R0.1170 CCCCCNC(=O)CCC(=O)OC 527a_100000209983_100000187943 [1,1,0,0,0,0|1,0,1]=4 11112 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 2230a_100000102301_100000691467 [1,1,0,0,0,0|1,0,1]=4 11113 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 7a_106832991798_100000691467 [1,1,0,0,0,0|1,0,1]=4 11114 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 1458a_100000187943_100011995733 [1,1,0,0,0,0|1,0,1]=4 11115 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 34a_100000210227_100000691467 [1,1,0,0,0,0|1,0,1]=4 11116 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 7a_100000210227_100000691467 [1,1,0,0,0,0|1,0,1]=4 11117 B13R0.1170 CCCCOCC(C)OCC(=O)CC 7a_100011217071_100000747405 [1,1,0,0,0,0|2,0,0]=4 11118 B13R0.1170 CCCCOCC(C)OCC(=O)OC 34a_100011217071_100000747449 [1,1,0,0,0,0|2,0,0]=4 11119 B13R0.1170 CCCCOCC(C)OCC(=O)OC 7a_100011217071_100000747449 [1,1,0,0,0,0|2,0,0]=4 11120 B13R0.1170 CCCCOCN(C)CCC(=O)OC 269982a_100025711912_100011995733 [1,1,0,0,0,0|2,0,0]=4 11121 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000210211_100000691467 [1,1,0,0,0,0|1,0,1]=4 11122 B13R0.1170 CCCCSCC(=O)CCC(=O)OC 62a_100000691467_100000210210 [1,1,0,0,0,0|1,0,1]=4 11123 B13R0.1170 CCCOCCC(=O)CCC(=O)OC 1458a_100000187943_100011215938 [1,1,0,0,0,0|1,0,1]=4 11124 B13R0.1170 CCCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215938 [1,1,0,0,0,0|2,0,0]=4 11125 B13R0.1170 CCOCCCC(=O)CCC(=O)OC 1458a_100000187943_100012232248 [1,1,0,0,0,0|1,0,1]=4 11126 B13R0.1170 CCOCCCN(C)CCC(=O)OC 269982a_100025711912_100012232248 [1,1,0,0,0,0|2,0,0]=4 11127 B13R0.1170 COC(=O)CCC(=O)CCCCCF 1458a_100000187943_100000729378 [1,1,0,0,0,0|1,0,1]=4 11128 B13R0.1170 COC(=O)CCC(=O)CCCCCO 1458a_100000187943_100000746330 [1,1,0,0,0,0|1,0,1]=4 11129 B13R0.1170 COC(=O)CCN(C)CCCCCF 269982a_100025711912_100000729378 [1,1,0,0,0,0|2,0,0]=4 11130 B13R0.1170 COC(=O)CCN(C)CCCCCO 2230a_100000722520_100000204255 [1,1,0,0,0,0|2,0,0]=4 11131 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100000722520_100000204255 [1,1,0,0,0,0|2,0,0]=4 11132 B13R0.1170 COC(=O)CCN(C)CCCCCO 269982a_100025711912_100000746330 [1,1,0,0,0,0|2,0,0]=4 11133 B13R0.1170 COCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000755781 [1,1,0,0,0,0|1,0,1]=4 11134 B13R0.1170 COCCCCN(C)CCC(=O)OC 269982a_100025711912_100000730899 [1,1,0,0,0,0|2,0,0]=4 11135 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 270084a_100000229939_100000211323 [1,1,0,0,0,0|2,0,0]=4 11136 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 274078a_100000229939_100000211323 [1,1,0,0,0,0|2,0,0]=4 11137 B13R0.1215 CCCCCCCCNS(=O)(=O)CC 40a_100000229939_100000053943 [1,1,0,0,0,0|2,0,0]=4 11138 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 2230a_100000210581_100000756660 [1,1,0,0,0,0|2,0,0]=4 11139 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 2230a_100000751051_100000210314 [1,1,0,0,0,0|2,0,0]=4 11140 B13R0.1215 CCCCCCNCCS(=O)(=O)CC 34a_100000751051_100000210314 [1,1,0,0,0,0|2,0,0]=4 11141 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 34a_100000210259_100000756660 [1,1,0,0,0,0|2,0,0]=4 11142 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 34a_200011216379_100000210314 [1,1,0,0,0,0|2,0,0]=4 11143 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 7a_100000210259_100000756660 [1,1,0,0,0,0|2,0,0]=4 11144 B13R0.1215 CCCCCCOCCS(=O)(=O)CC 7a_200011216379_100000210314 [1,1,0,0,0,0|2,0,0]=4 11145 B13R0.1215 CCCCCCSCCS(=O)(=O)CC 62a_100000210314_100000756660 [1,1,0,0,0,0|2,0,0]=4 11146 B13R0.1215 CCCCCCSCCS(=O)(=O)CC 62a_100000756660_100000210757 [1,1,0,0,0,0|2,0,0]=4 11147 B15R0.1 C#CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000753159 [0,2,0,0,0,0|0,0,2]=4 11148 B15R0.1 C#CCCC(=O)CCCCCC(=O)OCC 1458a_100000692101_100000755133 [0,2,0,0,0,0|0,0,2]=4 11149 B15R0.1 C/C=C/CC(=O)CCCCCC(=O)OCC 1458a_100000037472_100102629194 [0,2,0,0,0,0|0,0,2]=4 11150 B15R0.1 C=C(COCCCC(C)CCC)OCOC 34a_100011713154_100000042856 [0,2,0,0,0,0|2,0,0]=4 11151 B15R0.1 C=CCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000754431 [0,2,0,0,0,0|0,0,2]=4 11152 B15R0.1 C=CCCC(=O)CCCCCC(=O)OCC 1458a_100000749702_100000755133 [0,2,0,0,0,0|0,0,2]=4 11153 B15R0.1 C=CCCC(C)OCCCCC(=O)OCC 34a_100000765329_100000750268 [0,2,0,0,0,0|0,0,2]=4 11154 B15R0.1 C=CCCC(C)OCCCCC(=O)OCC 7a_100000765329_100000750268 [0,2,0,0,0,0|0,0,2]=4 11155 B15R0.1 C=CCCN(C)CCCCCC(=O)OCC 2230a_100020639649_100000755133 [0,2,0,0,0,0|0,0,2]=4 11156 B15R0.1 C=CCCN(C)CCCCCC(=O)OCC 269982a_100020639649_100000755133 [0,2,0,0,0,0|0,0,2]=4 11157 B15R0.1 C=CCOC(=O)COCCCC(C)CCC 34a_100011713154_100000033060 [0,2,0,0,0,0|1,0,1]=4 11158 B15R0.1 C=CCOC(=O)COCCCC(C)CCC 7a_100011713154_100000033060 [0,2,0,0,0,0|1,0,1]=4 11159 B15R0.1 CC#CCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000748600 [0,2,0,0,0,0|0,0,2]=4 11160 B15R0.1 CC=CCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000070051 [0,2,0,0,0,0|0,0,2]=4 11161 B15R0.1 CC=CCC(=O)CCCCCC(=O)OCC 1458a_100121576822_100000755133 [0,2,0,0,0,0|0,0,2]=4 11162 B15R0.1 CCC#CC(=O)CCCCCC(=O)OCC 1458a_100011827653_100000755133 [0,2,0,0,0,0|0,0,2]=4 11163 B15R0.1 CCC#CC(C)OCCCCC(=O)OCC 34a_100000033903_100000750268 [0,2,0,0,0,0|0,0,2]=4 11164 B15R0.1 CCC#CC(C)OCCCCC(=O)OCC 7a_100000033903_100000750268 [0,2,0,0,0,0|0,0,2]=4 11165 B15R0.1 CCC=CC(=O)CCCCCC(=O)OCC 1458a_100000212282_100000755133 [0,2,0,0,0,0|0,0,2]=4 11166 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000210211 [0,2,0,0,0,0|0,0,0]=2 11167 B15R0.1 CCCCC(=O)CCCCCC(=O)OCC 1458a_100000210183_100000755133 [0,2,0,0,0,0|0,0,0]=2 11168 B15R0.1 CCCCC(=O)CCCOCC(=O)OCC 1458a_100000210183_100009893628 [0,2,0,0,0,0|0,0,1]=3 11169 B15R0.1 CCCCC(=O)NCCCCC(=O)OCC 188690a_100000718961_100000210183 [0,2,0,0,0,0|0,0,1]=3 11170 B15R0.1 CCCCC(C)COC/C=C/C(=O)OCC 34a_100011995851_100016267167 [0,2,0,0,0,0|0,0,2]=4 11171 B15R0.1 CCCCC(C)COC/C=C/C(=O)OCC 7a_100011995851_100016267167 [0,2,0,0,0,0|0,0,2]=4 11172 B15R0.1 CCCCC(C)COCCCC(=O)OCC 34a_100011995851_100009991533 [0,2,0,0,0,0|0,0,0]=2 11173 B15R0.1 CCCCC(C)COCCCC(=O)OCC 7a_100011995851_100011215271 [0,2,0,0,0,0|0,0,0]=2 11174 B15R0.1 CCCCC(C)COCCNC(=O)OCC 7a_100011995851_200011445536 [0,2,0,0,0,0|1,0,0]=3 11175 B15R0.1 CCCCC(C)NCCCCC(=O)OCC 2230a_100000126638_100000750268 [0,2,0,0,0,0|0,0,0]=2 11176 B15R0.1 CCCCC(C)NCCOCC(=O)OCC 2230a_100000126638_100000088970 [0,2,0,0,0,0|1,0,0]=3 11177 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 34a_100000687866_100000750268 [0,2,0,0,0,0|0,0,0]=2 11178 B15R0.1 CCCCC(C)OCCCCC(=O)OCC 7a_100000687866_100000750268 [0,2,0,0,0,0|0,0,0]=2 11179 B15R0.1 CCCCC(C)OCCOCC(=O)OCC 34a_100000687866_100000088970 [0,2,0,0,0,0|1,0,0]=3 11180 B15R0.1 CCCCC(C)OCCOCC(=O)OCC 7a_100000687866_100000088970 [0,2,0,0,0,0|1,0,0]=3 11181 B15R0.1 CCCCC(C)OCCSCC(=O)OCC 7a_200000230590_200011215066 [0,2,0,0,0,0|1,0,0]=3 11182 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_100000750268_200011215066 [0,2,0,0,0,0|0,0,0]=2 11183 B15R0.1 CCCCC(C)SCCCCC(=O)OCC 62a_200011215066_100000750268 [0,2,0,0,0,0|0,0,0]=2 11184 B15R0.1 CCCCC(C)SCCOCC(=O)OCC 62a_100000088970_200011215066 [0,2,0,0,0,0|1,0,0]=3 11185 B15R0.1 CCCCC(C)SCCOCC(=O)OCC 62a_200011215066_100000088970 [0,2,0,0,0,0|1,0,0]=3 11186 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 2230a_100000207549_100000755133 [0,2,0,0,0,0|0,0,0]=2 11187 B15R0.1 CCCCN(C)CCCCCC(=O)OCC 269982a_100000207549_100000755133 [0,2,0,0,0,0|0,0,0]=2 11188 B15R0.1 CCCCN(C)CCCOCC(=O)OCC 2230a_100000207549_100009893628 [0,2,0,0,0,0|1,0,0]=3 11189 B15R0.1 CCCCN(C)CCCOCC(=O)OCC 269982a_100000207549_100009893628 [0,2,0,0,0,0|1,0,0]=3 11190 B15R0.1 CCCC[C@H](N)COC/C=C/C(=O)OCC 34a_100011934283_100016267167 [0,2,0,0,0,0|0,0,2]=4 11191 B15R0.1 CCCC[C@H](N)COCCCC(=O)OCC 34a_100011934283_100009991533 [0,2,0,0,0,0|0,0,0]=2 11192 B15R0.1 CCCNC(=O)CCCCCC(=O)OCC 11a_100020643023_100000037472 [0,2,0,0,0,0|0,0,1]=3 11193 B15R0.1 CCCNC(=O)CCCCCC(=O)OCC 1626a_100020643023_100000037472 [0,2,0,0,0,0|0,0,1]=3 11194 B15R0.1 CCCNC(=O)CCCCCC(=O)OCC 240690a_100020643023_100000037472 [0,2,0,0,0,0|0,0,1]=3 11195 B15R0.1 CCCNC(=O)CCCCCC(=O)OCC 527a_100020643023_100000037472 [0,2,0,0,0,0|0,0,1]=3 11196 B15R0.1 CCCNC(=O)CCCOCC(C)CCC 7a_100000688023_100011194427 [0,2,0,0,0,0|2,0,0]=4 11197 B15R0.1 CCCNC(=O)CCCSCC(=O)OCC 62a_100000188475_100011194427 [0,2,0,0,0,0|1,0,1]=4 11198 B15R0.1 CCCNC(=O)CCCSCC(=O)OCC 62a_100011194427_100000188475 [0,2,0,0,0,0|1,0,1]=4 11199 B15R0.1 CCCNC(=O)CCCSCC(C)CCC 62a_100011194427_100011216630 [0,2,0,0,0,0|2,0,0]=4 11200 B15R0.1 CCCNC(=O)CCCSCC(C)CCC 62a_100011216630_100011194427 [0,2,0,0,0,0|2,0,0]=4 11201 B15R0.1 CCCNC(=O)CNCCCC(=O)OCC 2230a_100000174927_100009991533 [0,2,0,0,0,0|1,0,1]=4 11202 B15R0.1 CCCNC(=O)COCCCC(=O)OCC 7a_100012001163_100000183358 [0,2,0,0,0,0|1,0,1]=4 11203 B15R0.1 CCCNC(=O)COCCCC(C)CCC 34a_100011713154_100000183358 [0,2,0,0,0,0|2,0,0]=4 11204 B15R0.1 CCCNC(=O)COCCCC(C)CCC 7a_100011713154_100000183358 [0,2,0,0,0,0|2,0,0]=4 11205 B15R0.1 CCCNC(=O)CSCCCC(=O)OCC 62a_100000183358_100009991533 [0,2,0,0,0,0|1,0,1]=4 11206 B15R0.1 CCCNC(=O)CSCCCC(=O)OCC 62a_100009991533_100000183358 [0,2,0,0,0,0|1,0,1]=4 11207 B15R0.1 CCCOC(=O)COCCCC(=O)OCC 7a_100012001163_200011215008 [0,2,0,0,0,0|1,0,1]=4 11208 B15R0.1 CCCOC(=O)COCCCC(C)CCC 34a_100011713154_200011215008 [0,2,0,0,0,0|1,0,0]=3 11209 B15R0.1 CCCOC(=O)COCCCC(C)CCC 7a_100011713154_200011215008 [0,2,0,0,0,0|1,0,0]=3 11210 B15R0.1 CCCOC(=O)CSCCCC(=O)OCC 62a_100009991533_200011215008 [0,2,0,0,0,0|1,0,1]=4 11211 B15R0.1 CCCOC(=O)CSCCCC(=O)OCC 62a_200011215008_100009991533 [0,2,0,0,0,0|1,0,1]=4 11212 B15R0.1 CCCOC(=O)OCOCCC(C)CCC 34a_100011217855_200000139673 [0,2,0,0,0,0|2,0,0]=4 11213 B15R0.1 CCCOC(=O)OCOCCC(C)CCC 7a_100011217855_200000139673 [0,2,0,0,0,0|2,0,0]=4 11214 B15R0.1 CCCOC(=O)OCOCC[C@@H](N)CCC 34a_100015193777_200000139673 [0,2,0,0,0,0|2,0,0]=4 11215 B15R0.1 CCCOC(C)CNCCCC(=O)OCC 2230a_100015185124_100009991533 [0,2,0,0,0,0|1,0,0]=3 11216 B15R0.1 CCCOC(C)CNCCCC(=O)OCC 34a_100015185124_100009991533 [0,2,0,0,0,0|1,0,0]=3 11217 B15R0.1 CCNNC(=O)CCCCCC(=O)OCC 22a_100000756455_100000037472 [0,2,0,0,0,0|1,0,1]=4 11218 B15R0.1 CCOC(=O)CCCCCC(=O)CCC#N 1458a_100000037472_100011215226 [0,2,0,0,0,0|0,0,2]=4 11219 B15R0.1 CCOC(=O)CCCCCC(=O)CCC#N 1458a_100011934036_100000755133 [0,2,0,0,0,0|0,0,2]=4 11220 B15R0.1 CCOC(=O)CCCCCC(=O)CCCF 1458a_100000037472_100011934791 [0,2,0,0,0,0|0,0,1]=3 11221 B15R0.1 CCOC(=O)CCCCCC(=O)CCCO 1458a_100000037472_100011215043 [0,2,0,0,0,0|0,0,1]=3 11222 B15R0.1 CCOC(=O)CCCCCC(=O)CCOC 1458a_100000037472_100000233755 [0,2,0,0,0,0|0,0,1]=3 11223 B15R0.1 CCOC(=O)CCCCCC(=O)CCOC 1458a_100000749529_100000755133 [0,2,0,0,0,0|0,0,1]=3 11224 B15R0.1 CCOC(=O)CCCCCC(=O)CCSC 1458a_100000037472_100000751147 [0,2,0,0,0,0|0,0,1]=3 11225 B15R0.1 CCOC(=O)CCCCCC(=O)CCSC 1458a_100000174002_100000755133 [0,2,0,0,0,0|0,0,1]=3 11226 B15R0.1 CCOC(=O)CCCCCC(=O)CSCC 1458a_100000230394_100000755133 [0,2,0,0,0,0|0,0,1]=3 11227 B15R0.1 CCOC(=O)CCCCCC(=O)NCCF 11a_100000724931_100000037472 [0,2,0,0,0,0|1,0,1]=4 11228 B15R0.1 CCOC(=O)CCCCCC(=O)NCCF 1626a_100000724931_100000037472 [0,2,0,0,0,0|1,0,1]=4 11229 B15R0.1 CCOC(=O)CCCCCC(=O)NCCF 240690a_100000724931_100000037472 [0,2,0,0,0,0|1,0,1]=4 11230 B15R0.1 CCOC(=O)CCCCCC(=O)NCCF 527a_100000724931_100000037472 [0,2,0,0,0,0|1,0,1]=4 11231 B15R0.1 CCOC(=O)CCCCCC(=O)NCCO 240690a_100000210304_100000037472 [0,2,0,0,0,0|1,0,1]=4 11232 B15R0.1 CCOC(=O)CCCCCC(=O)NCCO 527a_100000210304_100000037472 [0,2,0,0,0,0|1,0,1]=4 11233 B15R0.1 CCOC(=O)CCCCCN(C)CCC#N 2230a_100000184479_100000755133 [0,2,0,0,0,0|1,0,1]=4 11234 B15R0.1 CCOC(=O)CCCCCN(C)CCCO 2230a_100000213112_100000755133 [0,2,0,0,0,0|1,0,0]=3 11235 B15R0.1 CCOC(=O)CCCCCN(C)CCCO 269982a_100000213112_100000755133 [0,2,0,0,0,0|1,0,0]=3 11236 B15R0.1 CCOC(=O)CCCCCN(C)CCOC 2230a_100000743101_100000755133 [0,2,0,0,0,0|1,0,0]=3 11237 B15R0.1 CCOC(=O)CCCCCN(C)CCOC 269982a_100000743101_100000755133 [0,2,0,0,0,0|1,0,0]=3 11238 B15R0.1 CCOC(=O)CCCCCN(C)CCSC 2230a_100000686725_100000755133 [0,2,0,0,0,0|1,0,0]=3 11239 B15R0.1 CCOC(=O)CCCCCN(C)CCSC 269982a_100000686725_100000755133 [0,2,0,0,0,0|1,0,0]=3 11240 B15R0.1 CCOC(=O)CCCCNC(=O)CCOC 188690a_100000718961_100000749529 [0,2,0,0,0,0|1,0,1]=4 11241 B15R0.1 CCOC(=O)CCCCNC(=O)CCSC 188690a_100000718961_100000174002 [0,2,0,0,0,0|1,0,1]=4 11242 B15R0.1 CCOC(=O)CCCCNC(=O)CSCC 188690a_100000718961_100000230394 [0,2,0,0,0,0|1,0,1]=4 11243 B15R0.1 CCOC(=O)CCCCOC(C)CCCCl 34a_200000718107_100000750268 [0,2,0,0,0,0|1,0,0]=3 11244 B15R0.1 CCOC(=O)CCCCOC(C)CCCCl 7a_200000718107_100000750268 [0,2,0,0,0,0|1,0,0]=3 11245 B15R0.1 CCOC(=O)CCCNC[C@H](C)CCCO 2230a_100160569302_100009991533 [0,2,0,0,0,0|1,0,0]=3 11246 B15R0.1 CCOC(=O)CCCNC[C@H](C)CCCO 34a_100160569302_100009991533 [0,2,0,0,0,0|1,0,0]=3 11247 B15R0.1 CCOC(=O)CCCOC[C@@H](C)OCOC 34a_100016172286_100009991533 [0,2,0,0,0,0|2,0,0]=4 11248 B15R0.1 CCOC(=O)CCCOC[C@@H](C)OCOC 7a_100016172286_100011215271 [0,2,0,0,0,0|2,0,0]=4 11249 B15R0.1 CCOC(=O)CCCOC[C@@H](N)CCSC 34a_100011827619_100009991533 [0,2,0,0,0,0|1,0,0]=3 11250 B15R0.1 CCOC(=O)COCCCC(=O)CCOC 1458a_100000749529_100009893628 [0,2,0,0,0,0|1,0,1]=4 11251 B15R0.1 CCOC(=O)COCCCC(=O)CCSC 1458a_100000174002_100009893628 [0,2,0,0,0,0|1,0,1]=4 11252 B15R0.1 CCOC(=O)COCCCC(=O)CSCC 1458a_100000230394_100009893628 [0,2,0,0,0,0|1,0,1]=4 11253 B15R0.1 CCOC(=O)COCCCN(C)CCCO 2230a_100000213112_100009893628 [0,2,0,0,0,0|2,0,0]=4 11254 B15R0.1 CCOC(=O)COCCCN(C)CCCO 269982a_100000213112_100009893628 [0,2,0,0,0,0|2,0,0]=4 11255 B15R0.1 CCOC(=O)COCCCN(C)CCOC 2230a_100000743101_100009893628 [0,2,0,0,0,0|2,0,0]=4 11256 B15R0.1 CCOC(=O)COCCCN(C)CCOC 269982a_100000743101_100009893628 [0,2,0,0,0,0|2,0,0]=4 11257 B15R0.1 CCOC(=O)COCCCN(C)CCSC 2230a_100000686725_100009893628 [0,2,0,0,0,0|2,0,0]=4 11258 B15R0.1 CCOC(=O)COCCCN(C)CCSC 269982a_100000686725_100009893628 [0,2,0,0,0,0|2,0,0]=4 11259 B15R0.1 CCOC(=O)COCCOC(C)CCCCl 34a_200000718107_100000088970 [0,2,0,0,0,0|2,0,0]=4 11260 B15R0.1 CCOC(=O)COCCOC(C)CCCCl 7a_200000718107_100000088970 [0,2,0,0,0,0|2,0,0]=4 11261 B15R0.1 CCOCC(=O)CCCCCC(=O)OCC 1458a_100000211967_100000755133 [0,2,0,0,0,0|0,0,1]=3 11262 B15R0.1 CCOCC(=O)CCCOCC(=O)OCC 1458a_100000211967_100009893628 [0,2,0,0,0,0|1,0,1]=4 11263 B15R0.1 CCOCC(=O)NCCCCC(=O)OCC 188690a_100000718961_100000211967 [0,2,0,0,0,0|1,0,1]=4 11264 B15R0.1 CCOCC(C)OCCCCC(=O)OCC 34a_100000718985_100000750268 [0,2,0,0,0,0|1,0,0]=3 11265 B15R0.1 CCOCC(C)OCCCCC(=O)OCC 7a_100000718985_100000750268 [0,2,0,0,0,0|1,0,0]=3 11266 B15R0.1 CCOCC(C)OCCOCC(=O)OCC 34a_100000718985_100000088970 [0,2,0,0,0,0|2,0,0]=4 11267 B15R0.1 CCOCC(C)OCCOCC(=O)OCC 7a_100000718985_100000088970 [0,2,0,0,0,0|2,0,0]=4 11268 B15R0.1 CCOCC(O)CNCCCC(=O)OCC 2230a_102515437182_100009991533 [0,2,0,0,0,0|1,0,0]=3 11269 B15R0.1 CCOCC(O)CNCCCC(=O)OCC 34a_102515437182_100009991533 [0,2,0,0,0,0|1,0,0]=3 11270 B15R0.35 CCCC(C)CCCOCC(=O)N(C)CC 34a_100011713154_100000738999 [0,2,0,0,0,0|2,0,0]=4 11271 B15R0.35 CCCC(C)CCCOCC(=O)N(C)CC 7a_100011713154_100000738999 [0,2,0,0,0,0|2,0,0]=4 11272 B15R0.35 CCOC(=O)CCCCCC(=O)C(C)CC 1458a_100000037472_100000758301 [0,2,0,0,0,0|0,0,1]=3 11273 B15R0.35 CCOC(=O)CCCCCC(=O)C(C)CC 1458a_100011192722_100000755133 [0,2,0,0,0,0|0,0,1]=3 11274 B15R0.35 CCOC(=O)CCCCCC(=O)C(C)OC 1458a_100000743197_100000755133 [0,2,0,0,0,0|1,0,1]=4 11275 B15R0.35 CCOC(=O)CCCCCC(=O)C(C)SC 1458a_100000149566_100000755133 [0,2,0,0,0,0|1,0,1]=4 11276 B15R0.35 CCOC(=O)CCCCCC(=O)C(O)CC 1458a_100011196387_100000755133 [0,2,0,0,0,0|0,0,1]=3 11277 B15R0.35 CCOC(=O)CCCCCC(=O)C(O)CO 1458a_100011215603_100000755133 [0,2,0,0,0,0|1,0,1]=4 11278 B15R0.35 CCOC(=O)CCCCCC(=O)N(C)CC 11a_100000225621_100000037472 [0,2,0,0,0,0|1,0,1]=4 11279 B15R0.35 CCOC(=O)CCCCCC(=O)N(C)CC 1626a_100000225621_100000037472 [0,2,0,0,0,0|1,0,1]=4 11280 B15R0.35 CCOC(=O)CCCCCC(=O)N(C)CC 240690a_100000225621_100000037472 [0,2,0,0,0,0|1,0,1]=4 11281 B15R0.35 CCOC(=O)CCCCCC(=O)N(C)CC 527a_100000225621_100000037472 [0,2,0,0,0,0|1,0,1]=4 11282 B15R0.35 CCOC(=O)CCCCCN(C)C(C)CC 2230a_100000741768_100000755133 [0,2,0,0,0,0|1,0,0]=3 11283 B15R0.35 CCOC(=O)CCCCCN(C)C(C)CC 269982a_100000741768_100000755133 [0,2,0,0,0,0|1,0,0]=3 11284 B15R0.35 CCOC(=O)CCCCCN(C)C(C)CO 2230a_100000693034_100000755133 [0,2,0,0,0,0|2,0,0]=4 11285 B15R0.35 CCOC(=O)CCCCCN(C)C(C)CO 269982a_100000693034_100000755133 [0,2,0,0,0,0|2,0,0]=4 11286 B15R0.35 CCOC(=O)CCCCNC(=O)C(C)CC 188690a_100000718961_100011192722 [0,2,0,0,0,0|1,0,1]=4 11287 B15R0.35 CCOC(=O)CCCCNC(=O)C(O)CC 188690a_100000718961_100011196387 [0,2,0,0,0,0|1,0,1]=4 11288 B15R0.35 CCOC(=O)CCCCOC(C)C(C)CC 7a_100011215189_100000750268 [0,2,0,0,0,0|1,0,0]=3 11289 B15R0.35 CCOC(=O)CCCCSC(C)C(=O)CC 62a_100000742827_100000750268 [0,2,0,0,0,0|1,0,1]=4 11290 B15R0.35 CCOC(=O)CCCCSC(C)C(=O)CC 62a_100000750268_100000742827 [0,2,0,0,0,0|1,0,1]=4 11291 B15R0.35 CCOC(=O)CCCOCC(C)N(C)CC 7a_100000732741_100011215271 [0,2,0,0,0,0|2,0,0]=4 11292 B15R0.35 CCOC(=O)COCCCC(=O)C(C)CC 1458a_100011192722_100009893628 [0,2,0,0,0,0|1,0,1]=4 11293 B15R0.35 CCOC(=O)COCCCC(=O)C(O)CC 1458a_100011196387_100009893628 [0,2,0,0,0,0|1,0,1]=4 11294 B15R0.35 CCOC(=O)COCCCN(C)C(C)CC 2230a_100000741768_100009893628 [0,2,0,0,0,0|2,0,0]=4 11295 B15R0.35 CCOC(=O)COCCCN(C)C(C)CC 269982a_100000741768_100009893628 [0,2,0,0,0,0|2,0,0]=4 11296 B15R0.35 CCOC(=O)COCCOC(C)C(C)CC 7a_100011215189_100000088970 [0,2,0,0,0,0|2,0,0]=4 11297 B15R0.115 C=C(C)CC(=O)CCCCCC(=O)OCC 1458a_100000037472_100000748629 [0,2,0,0,0,0|0,0,2]=4 11298 B15R0.115 C=C(C)CN(C)CCCCCC(=O)OCC 2230a_100000225649_100000755133 [0,2,0,0,0,0|1,0,1]=4 11299 B15R0.115 C=C(C)CN(C)CCCCCC(=O)OCC 269982a_100000225649_100000755133 [0,2,0,0,0,0|1,0,1]=4 11300 B15R0.115 CC(C)OC(=O)CCCCCC(=O)CCO 1458a_100011216618_200010986244 [0,2,0,0,0,0|1,0,1]=4 11301 B15R0.115 CC(C)OC(=O)CCCCCN(C)CCO 2230a_100000210263_200010986244 [0,2,0,0,0,0|2,0,0]=4 11302 B15R0.115 CC(C)OC(=O)CCCCCN(C)CCO 269982a_100000210263_200010986244 [0,2,0,0,0,0|2,0,0]=4 11303 B15R0.115 CCCC(=O)CCCCCC(=O)OC(C)C 1458a_100000211992_200010986244 [0,2,0,0,0,0|0,0,1]=3 11304 B15R0.115 CCCC(C)CCCOCC(=O)NC(C)C 34a_100011713154_100000183996 [0,2,0,0,0,0|2,0,0]=4 11305 B15R0.115 CCCC(C)CCCOCC(=O)NC(C)C 7a_100011713154_100000183996 [0,2,0,0,0,0|2,0,0]=4 11306 B15R0.115 CCCC(C)CCCOCC(=O)OC(C)C 34a_100011713154_100011215430 [0,2,0,0,0,0|1,0,0]=3 11307 B15R0.115 CCCC(C)CCCOCC(=O)OC(C)C 7a_100011713154_100011215430 [0,2,0,0,0,0|1,0,0]=3 11308 B15R0.115 CCCC(C)CCOCCC(=O)NC(C)C 7a_100011217855_100000737564 [0,2,0,0,0,0|2,0,0]=4 11309 B15R0.115 CCCC(C)CCOCCC(=O)OC(C)C 7a_100011217855_100000760027 [0,2,0,0,0,0|1,0,0]=3 11310 B15R0.115 CCCN(C)CCCCCC(=O)OC(C)C 2230a_100000747261_200010986244 [0,2,0,0,0,0|1,0,0]=3 11311 B15R0.115 CCCN(C)CCCCCC(=O)OC(C)C 269982a_100000747261_200010986244 [0,2,0,0,0,0|1,0,0]=3 11312 B15R0.115 CCOC(=O)CCCCCC(=O)CC(C)C 1458a_100000037472_100000210624 [0,2,0,0,0,0|0,0,1]=3 11313 B15R0.115 CCOC(=O)CCCCCC(=O)CC(C)C 1458a_100000210554_100000755133 [0,2,0,0,0,0|0,0,1]=3 11314 B15R0.115 CCOC(=O)CCCCCC(=O)CC(C)O 1458a_100000037472_100011218427 [0,2,0,0,0,0|0,0,1]=3 11315 B15R0.115 CCOC(=O)CCCCCC(=O)CC(F)F 1458a_100000037472_100011934356 [0,2,0,0,0,0|1,0,1]=4 11316 B15R0.115 CCOC(=O)CCCCCC(=O)CN(C)C 1458a_100000750896_100000755133 [0,2,0,0,0,0|1,0,1]=4 11317 B15R0.115 CCOC(=O)CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755133 [0,2,0,0,0,0|0,0,1]=3 11318 B15R0.115 CCOC(=O)CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000755133 [0,2,0,0,0,0|1,0,1]=4 11319 B15R0.115 CCOC(=O)CCCCCC(=O)NC(C)C 11a_100138425928_100000037472 [0,2,0,0,0,0|1,0,1]=4 11320 B15R0.115 CCOC(=O)CCCCCC(=O)NC(C)C 1626a_100138425928_100000037472 [0,2,0,0,0,0|1,0,1]=4 11321 B15R0.115 CCOC(=O)CCCCCC(=O)NC(C)C 240690a_100138425928_100000037472 [0,2,0,0,0,0|1,0,1]=4 11322 B15R0.115 CCOC(=O)CCCCCC(=O)NC(C)C 527a_100138425928_100000037472 [0,2,0,0,0,0|1,0,1]=4 11323 B15R0.115 CCOC(=O)CCCCCN(C)CC(C)C 2230a_100000747067_100000755133 [0,2,0,0,0,0|1,0,0]=3 11324 B15R0.115 CCOC(=O)CCCCCN(C)CC(C)C 269982a_100000747067_100000755133 [0,2,0,0,0,0|1,0,0]=3 11325 B15R0.115 CCOC(=O)CCCCCN(C)CC(C)O 2230a_100000227577_100000755133 [0,2,0,0,0,0|1,0,0]=3 11326 B15R0.115 CCOC(=O)CCCCCN(C)CC(C)O 269982a_100000227577_100000755133 [0,2,0,0,0,0|1,0,0]=3 11327 B15R0.115 CCOC(=O)CCCCNC(=O)CC(C)C 188690a_100000718961_100000210554 [0,2,0,0,0,0|1,0,1]=4 11328 B15R0.115 CCOC(=O)CCCCNC(=O)C[C@@H](C)O 188690a_100000718961_100011933948 [0,2,0,0,0,0|1,0,1]=4 11329 B15R0.115 CCOC(=O)CCCCNC(C)CC(C)C 2230a_100000692259_100000750268 [0,2,0,0,0,0|1,0,0]=3 11330 B15R0.115 CCOC(=O)CCCCOC(C)CC(C)C 34a_100000211805_100000750268 [0,2,0,0,0,0|1,0,0]=3 11331 B15R0.115 CCOC(=O)CCCCOC(C)CC(C)C 7a_100000211805_100000750268 [0,2,0,0,0,0|1,0,0]=3 11332 B15R0.115 CCOC(=O)CCCCSC(C)CC(C)C 62a_100000731052_100000750268 [0,2,0,0,0,0|1,0,0]=3 11333 B15R0.115 CCOC(=O)CCCCSC(C)CC(C)C 62a_100000750268_100000731052 [0,2,0,0,0,0|1,0,0]=3 11334 B15R0.115 CCOC(=O)CCCCSC(C)CN(C)C 62a_100000750268_100020606517 [0,2,0,0,0,0|2,0,0]=4 11335 B15R0.115 CCOC(=O)CCCCSC(C)CN(C)C 62a_100020606517_100000750268 [0,2,0,0,0,0|2,0,0]=4 11336 B15R0.115 CCOC(=O)CCCOCC(C)CN(C)C 7a_100012001163_100015348159 [0,2,0,0,0,0|2,0,0]=4 11337 B15R0.115 CCOC(=O)CCCOC[C@@H](N)CC(C)C 34a_100011830311_100009991533 [0,2,0,0,0,0|1,0,0]=3 11338 B15R0.115 CCOC(=O)CCCSCC(C)CN(C)C 62a_100009991533_100015348159 [0,2,0,0,0,0|2,0,0]=4 11339 B15R0.115 CCOC(=O)CCCSCC(C)CN(C)C 62a_100015348159_100009991533 [0,2,0,0,0,0|2,0,0]=4 11340 B15R0.115 CCOC(=O)CCOCC[C@@H](N)CC(C)C 34a_100161151251_100000765890 [0,2,0,0,0,0|1,0,0]=3 11341 B15R0.115 CCOC(=O)COCCCC(=O)CC(C)C 1458a_100000210554_100009893628 [0,2,0,0,0,0|1,0,1]=4 11342 B15R0.115 CCOC(=O)COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100009893628 [0,2,0,0,0,0|1,0,1]=4 11343 B15R0.115 CCOC(=O)COCCCN(C)CC(C)C 2230a_100000747067_100009893628 [0,2,0,0,0,0|2,0,0]=4 11344 B15R0.115 CCOC(=O)COCCCN(C)CC(C)C 269982a_100000747067_100009893628 [0,2,0,0,0,0|2,0,0]=4 11345 B15R0.115 CCOC(=O)COCCCN(C)CC(C)O 2230a_100000227577_100009893628 [0,2,0,0,0,0|2,0,0]=4 11346 B15R0.115 CCOC(=O)COCCCN(C)CC(C)O 269982a_100000227577_100009893628 [0,2,0,0,0,0|2,0,0]=4 11347 B15R0.115 CCOC(=O)COCCNC(C)CC(C)C 2230a_100000692259_100000088970 [0,2,0,0,0,0|2,0,0]=4 11348 B15R0.115 CCOC(=O)COCCOC(C)CC(C)C 34a_100000211805_100000088970 [0,2,0,0,0,0|2,0,0]=4 11349 B15R0.115 CCOC(=O)COCCOC(C)CC(C)C 7a_100000211805_100000088970 [0,2,0,0,0,0|2,0,0]=4 11350 B15R0.115 CCOC(=O)COCCSC(C)CC(C)C 62a_100000088970_100000731052 [0,2,0,0,0,0|2,0,0]=4 11351 B15R0.115 CCOC(=O)COCCSC(C)CC(C)C 62a_100000731052_100000088970 [0,2,0,0,0,0|2,0,0]=4 11352 B15R0.115 CCOC(=O)CSCCOC(C)CC(C)C 7a_200000230590_100000731052 [0,2,0,0,0,0|2,0,0]=4 11353 B15R0.115 COCC(=O)CCCCCC(=O)OC(C)C 1458a_100000210968_200010986244 [0,2,0,0,0,0|1,0,1]=4 11354 B15R0.115 CSCC(=O)CCCCCC(=O)OC(C)C 1458a_100000184570_200010986244 [0,2,0,0,0,0|1,0,1]=4 11355 B15R0.410 C=C(CCC)CC(=O)CCCC(=O)OCC 1458a_100000138376_100011215271 [0,2,0,0,0,0|0,0,2]=4 11356 B15R0.410 CCCC(=O)CC(=O)CCCC(=O)OCC 1458a_100000210991_100000747444 [0,2,0,0,0,0|0,0,2]=4 11357 B15R0.410 CCCC(=O)CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000747444 [0,2,0,0,0,0|1,0,1]=4 11358 B15R0.410 CCCC(=O)CSC[C@@H](O)CC(=O)OCC 62a_100000747444_100000688340 [0,2,0,0,0,0|1,0,1]=4 11359 B15R0.410 CCCC(=O)NCC[C@@H](O)CC(=O)OCC 188690a_200020634500_100000211992 [0,2,0,0,0,0|1,0,1]=4 11360 B15R0.410 CCCC(C)CC(=O)CCCC(=O)NCC 1458a_100000199580_100011216630 [0,2,0,0,0,0|1,0,1]=4 11361 B15R0.410 CCCC(C)CC(=O)CCCC(=O)OCC 1458a_100000210991_100011216630 [0,2,0,0,0,0|0,0,1]=3 11362 B15R0.410 CCCC(C)CC(=O)CCCC(=O)OCC 1458a_100000748435_100011215271 [0,2,0,0,0,0|0,0,1]=3 11363 B15R0.410 CCCC(C)CC(=O)CCNC(=O)OCC 1458a_100000748435_200011445536 [0,2,0,0,0,0|1,0,1]=4 11364 B15R0.410 CCCC(C)CC(=O)NCCC(=O)OCC 188690a_100000746078_100000748435 [0,2,0,0,0,0|1,0,1]=4 11365 B15R0.410 CCCC(C)CCOC(C)CC(=O)OCC 7a_100011217855_100009817359 [0,2,0,0,0,0|1,0,0]=3 11366 B15R0.410 CCCC(C)COC[C@@H](O)CC(=O)OCC 34a_100000688023_100000688340 [0,2,0,0,0,0|1,0,0]=3 11367 B15R0.410 CCCC(C)COC[C@@H](O)CC(=O)OCC 7a_100000688023_100000688340 [0,2,0,0,0,0|1,0,0]=3 11368 B15R0.410 CCCC(C)CSCC(=O)CC(=O)OCC 62a_100000210311_100011216630 [0,2,0,0,0,0|1,0,1]=4 11369 B15R0.410 CCCC(C)CSCC(=O)CC(=O)OCC 62a_100011216630_100000210311 [0,2,0,0,0,0|1,0,1]=4 11370 B15R0.410 CCCC(C)CSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011216630 [0,2,0,0,0,0|1,0,0]=3 11371 B15R0.410 CCCC(C)CSC[C@@H](O)CC(=O)OCC 62a_100011216630_100000688340 [0,2,0,0,0,0|1,0,0]=3 11372 B15R0.410 CCCC(C)NC(=O)CCCC(=O)OCC 11a_100000741246_100000210991 [0,2,0,0,0,0|1,0,1]=4 11373 B15R0.410 CCCC(C)NC(=O)CCCC(=O)OCC 1626a_100000741246_100000210991 [0,2,0,0,0,0|1,0,1]=4 11374 B15R0.410 CCCC(C)NC(=O)CCCC(=O)OCC 240690a_100000741246_100000210991 [0,2,0,0,0,0|1,0,1]=4 11375 B15R0.410 CCCC(C)NC(=O)CCCC(=O)OCC 527a_100000741246_100000210991 [0,2,0,0,0,0|1,0,1]=4 11376 B15R0.410 CCCS(=O)CC(=O)CCCC(=O)OCC 1458a_100011387404_100011215271 [0,2,0,0,0,0|1,0,1]=4 11377 B15R0.410 CCC[C@H](N)COC[C@@H](O)CC(=O)OCC 34a_100000732646_100000688340 [0,2,0,0,0,0|1,0,0]=3 11378 B15R0.410 CCOC(=O)CCCC(=O)CC(C)SCC 1458a_200011311441_100011215271 [0,2,0,0,0,0|1,0,1]=4 11379 B15R0.410 CCOC(=O)CCCN(C)CC(O)COC 2230a_100000739405_100009991533 [0,2,0,0,0,0|2,0,0]=4 11380 B15R0.410 CCOC(=O)CCCN(C)CC(O)COC 269982a_100000739405_100009991533 [0,2,0,0,0,0|2,0,0]=4 11381 B15R0.410 CCOC(=O)C[C@H](O)CNCC(O)COC 34a_100000756049_100000688340 [0,2,0,0,0,0|2,0,0]=4 11382 B15R0.410 CCOC(=O)C[C@H](O)COCC(C)CCN 34a_106354213184_100000688340 [0,2,0,0,0,0|2,0,0]=4 11383 B15R0.410 CCOC(=O)C[C@H](O)COCC(N)COC 34a_100000724102_100000688340 [0,2,0,0,0,0|2,0,0]=4 11384 B15R0.410 CCOC(=O)C[C@H](O)CSCC(O)COC 62a_100000688340_100011215053 [0,2,0,0,0,0|2,0,0]=4 11385 B15R0.410 CCOC(=O)C[C@H](O)CSCC(O)COC 62a_100011215053_100000688340 [0,2,0,0,0,0|2,0,0]=4 11386 B15R0.1734 C=C(COCCC(C)CCC)C(=O)OCC 34a_100011217855_100000755967 [0,2,0,0,0,0|1,0,1]=4 11387 B15R0.1734 C=C(COCCC(C)CCC)C(=O)OCC 7a_100011217855_100000755967 [0,2,0,0,0,0|1,0,1]=4 11388 B15R0.1734 C=C(COCC[C@@H](N)CCC)C(=O)OCC 34a_100015193777_100000755967 [0,2,0,0,0,0|1,0,1]=4 11389 B15R0.1734 CCCC(C)C(=O)CCCCC(=O)OCC 1458a_100000210906_100000750268 [0,2,0,0,0,0|0,0,1]=3 11390 B15R0.1734 CCCC(C)C(=O)CCCCC(=O)OCC 1458a_100011217402_100000766640 [0,2,0,0,0,0|0,0,1]=3 11391 B15R0.1734 CCCC(C)C(=O)CCOCC(=O)OCC 1458a_100000210906_100000088970 [0,2,0,0,0,0|1,0,1]=4 11392 B15R0.1734 CCCC(C)C(=O)NCCCC(=O)OCC 188690a_100000211256_100000210906 [0,2,0,0,0,0|1,0,1]=4 11393 B15R0.1734 CCCC(C)C(C)OCCCC(=O)OCC 34a_100000708338_100009991533 [0,2,0,0,0,0|1,0,0]=3 11394 B15R0.1734 CCCC(C)C(C)OCCCC(=O)OCC 7a_100000708338_100011215271 [0,2,0,0,0,0|1,0,0]=3 11395 B15R0.1734 CCCC(C)C(C)OCCNC(=O)OCC 7a_100000708338_200011445536 [0,2,0,0,0,0|2,0,0]=4 11396 B15R0.1734 CCCC(C)CCCOC(C)C(=O)NCC 34a_100011713154_100000230173 [0,2,0,0,0,0|2,0,0]=4 11397 B15R0.1734 CCCC(C)CCCOC(C)C(=O)NCC 7a_100011713154_100000230173 [0,2,0,0,0,0|2,0,0]=4 11398 B15R0.1734 CCCC(C)CCCOC(C)C(=O)OCC 34a_100011713154_100011216346 [0,2,0,0,0,0|1,0,0]=3 11399 B15R0.1734 CCCC(C)CCCOC(C)C(=O)OCC 7a_100011713154_100011216346 [0,2,0,0,0,0|1,0,0]=3 11400 B15R0.1734 CCCC(C)CCCOC(F)C(=O)OCC 34a_100011713154_100000760018 [0,2,0,0,0,0|1,0,0]=3 11401 B15R0.1734 CCCC(C)CCCOC(F)C(=O)OCC 7a_100011713154_100000040065 [0,2,0,0,0,0|1,0,0]=3 11402 B15R0.1734 CCCN(C)C(=O)CCCCC(=O)OCC 11a_100000747261_100011217402 [0,2,0,0,0,0|1,0,1]=4 11403 B15R0.1734 CCCN(C)C(=O)CCCCC(=O)OCC 1626a_100000747261_100011217402 [0,2,0,0,0,0|1,0,1]=4 11404 B15R0.1734 CCCN(C)C(=O)CCCCC(=O)OCC 240690a_100000747261_100011217402 [0,2,0,0,0,0|1,0,1]=4 11405 B15R0.1734 CCCN(C)C(=O)CCCCC(=O)OCC 527a_100000747261_100011217402 [0,2,0,0,0,0|1,0,1]=4 11406 B15R0.1734 CCC[C@H](O)C(=O)CCCCC(=O)OCC 1458a_100009822183_100000750268 [0,2,0,0,0,0|0,0,1]=3 11407 B15R0.1734 CCC[C@H](O)C(=O)CCOCC(=O)OCC 1458a_100009822183_100000088970 [0,2,0,0,0,0|1,0,1]=4 11408 B15R0.1734 CCC[C@H](O)C(=O)NCCCC(=O)OCC 188690a_100000211256_100009822183 [0,2,0,0,0,0|1,0,1]=4 11409 B15R0.1734 CCOC(=O)CCCCC(=O)C(C)CCO 1458a_100011217402_100009893172 [0,2,0,0,0,0|1,0,1]=4 11410 B15R0.1734 CCOC(=O)CCCCC(=O)C(C)COC 1458a_100000751857_100000750268 [0,2,0,0,0,0|1,0,1]=4 11411 B15R0.1734 CCOC(=O)CCCCC(=O)C(C)COC 1458a_100011217402_100000765312 [0,2,0,0,0,0|1,0,1]=4 11412 B15R0.1734 CCOC(=O)CCCCC(=O)C(C)CSC 1458a_100000753918_100000750268 [0,2,0,0,0,0|1,0,1]=4 11413 B15R0.1734 CCOC(=O)CCCCC(=O)C(C)OCC 1458a_100000739345_100000750268 [0,2,0,0,0,0|1,0,1]=4 11414 B15R0.1734 CCOC(=O)CCCCC(=O)C(C)SCC 1458a_100000230601_100000750268 [0,2,0,0,0,0|1,0,1]=4 11415 B15R0.1734 CCOC(=O)CCCCN(C)C(C)CCO 2230a_100000731037_100000750268 [0,2,0,0,0,0|2,0,0]=4 11416 B15R0.1734 CCOC(=O)CCCCN(C)C(C)CCO 269982a_100000731037_100000750268 [0,2,0,0,0,0|2,0,0]=4 11417 B15R0.1739 C#CC(CCC)OCCCCC(=O)OCC 34a_200011217317_100000750268 [0,2,0,0,0,0|1,0,0]=3 11418 B15R0.1739 C#CC(CCC)OCCCCC(=O)OCC 7a_200011217317_100000750268 [0,2,0,0,0,0|1,0,0]=3 11419 B15R0.1739 C#CC(CCC)OCCOCC(=O)OCC 34a_200011217317_100000088970 [0,2,0,0,0,0|2,0,0]=4 11420 B15R0.1739 C#CC(CCC)OCCOCC(=O)OCC 7a_200011217317_100000088970 [0,2,0,0,0,0|2,0,0]=4 11421 B15R0.1739 C=CC(CCC)OCCCCC(=O)OCC 34a_100011216692_100000750268 [0,2,0,0,0,0|1,0,0]=3 11422 B15R0.1739 C=CC(CCC)OCCCCC(=O)OCC 7a_100011216692_100000750268 [0,2,0,0,0,0|1,0,0]=3 11423 B15R0.1739 C=CC(CCC)OCCOCC(=O)OCC 34a_100011216692_100000088970 [0,2,0,0,0,0|2,0,0]=4 11424 B15R0.1739 C=CC(CCC)OCCOCC(=O)OCC 7a_100011216692_100000088970 [0,2,0,0,0,0|2,0,0]=4 11425 B15R0.1739 CCCC(C#N)OCCCCC(=O)OCC 34a_100000686963_100000750268 [0,2,0,0,0,0|1,0,0]=3 11426 B15R0.1739 CCCC(C#N)OCCCCC(=O)OCC 7a_100000686963_100000750268 [0,2,0,0,0,0|1,0,0]=3 11427 B15R0.1739 CCCC(C#N)OCCOCC(=O)OCC 34a_100000686963_100000088970 [0,2,0,0,0,0|2,0,0]=4 11428 B15R0.1739 CCCC(C#N)OCCOCC(=O)OCC 7a_100000686963_100000088970 [0,2,0,0,0,0|2,0,0]=4 11429 B15R0.1739 CCCC(CC)NCCCCC(=O)OCC 2230a_100000747048_100000750268 [0,2,0,0,0,0|1,0,0]=3 11430 B15R0.1739 CCCC(CC)NCCOCC(=O)OCC 2230a_100000747048_100000088970 [0,2,0,0,0,0|2,0,0]=4 11431 B15R0.1739 CCCC(CC)OCCCCC(=O)OCC 34a_100000687864_100000750268 [0,2,0,0,0,0|1,0,0]=3 11432 B15R0.1739 CCCC(CC)OCCCCC(=O)OCC 7a_100000687864_100000750268 [0,2,0,0,0,0|1,0,0]=3 11433 B15R0.1739 CCCC(CC)OCCOCC(=O)OCC 34a_100000687864_100000088970 [0,2,0,0,0,0|2,0,0]=4 11434 B15R0.1739 CCCC(CC)OCCOCC(=O)OCC 7a_100000687864_100000088970 [0,2,0,0,0,0|2,0,0]=4 11435 B15R0.1739 CCCC(CC)OCCSCC(=O)OCC 7a_200000230590_100011219200 [0,2,0,0,0,0|2,0,0]=4 11436 B15R0.1739 CCCC(CC)SCCCCC(=O)OCC 62a_100000750268_100011219200 [0,2,0,0,0,0|1,0,0]=3 11437 B15R0.1739 CCCC(CC)SCCCCC(=O)OCC 62a_100011219200_100000750268 [0,2,0,0,0,0|1,0,0]=3 11438 B15R0.1739 CCCC(CC)SCCOCC(=O)OCC 62a_100000088970_100011219200 [0,2,0,0,0,0|2,0,0]=4 11439 B15R0.1739 CCCC(CC)SCCOCC(=O)OCC 62a_100011219200_100000088970 [0,2,0,0,0,0|2,0,0]=4 11440 B15R0.1739 CCCC(CCOCCC(=O)NCC)SC 7a_100000032865_100000737597 [0,2,0,0,0,0|2,0,0]=4 11441 B15R0.1739 CCCC(CCOCCC(=O)OCC)SC 34a_100000032865_100000765890 [0,2,0,0,0,0|1,0,0]=3 11442 B15R0.1739 CCCC(CCOCCC(=O)OCC)SC 7a_100000032865_100011206558 [0,2,0,0,0,0|1,0,0]=3 11443 B15R0.1739 CCCN(CC)CCCCCC(=O)OCC 2230a_100000226822_100000755133 [0,2,0,0,0,0|1,0,0]=3 11444 B15R0.1739 CCCN(CC)CCCCCC(=O)OCC 269982a_100000226822_100000755133 [0,2,0,0,0,0|1,0,0]=3 11445 B15R0.1739 CCCN(CC)CCCOCC(=O)OCC 2230a_100000226822_100009893628 [0,2,0,0,0,0|2,0,0]=4 11446 B15R0.1739 CCCN(CC)CCCOCC(=O)OCC 269982a_100000226822_100009893628 [0,2,0,0,0,0|2,0,0]=4 11447 B15R0.1739 CCC[C@@H](CO)NCCCCC(=O)OCC 2230a_100000732646_100000750268 [0,2,0,0,0,0|1,0,0]=3 11448 B15R0.1739 CCC[C@@H](CO)NCCCCC(=O)OCC 34a_100000732646_100000750268 [0,2,0,0,0,0|1,0,0]=3 11449 B15R0.1739 CCC[C@@H](CO)NCCOCC(=O)OCC 2230a_100000732646_100000088970 [0,2,0,0,0,0|2,0,0]=4 11450 B15R0.1739 CCC[C@@H](CO)NCCOCC(=O)OCC 34a_100000732646_100000088970 [0,2,0,0,0,0|2,0,0]=4 11451 B15R0.1739 CCOC(=O)CCCCCN(CC)CCO 2230a_100000210973_100000755133 [0,2,0,0,0,0|2,0,0]=4 11452 B15R0.1739 CCOC(=O)CCCCCN(CC)CCO 269982a_100000210973_100000755133 [0,2,0,0,0,0|2,0,0]=4 11453 B15R0.1739 CCOC(=O)CCCCNC(CC)COC 2230a_100000757820_100000750268 [0,2,0,0,0,0|2,0,0]=4 11454 B15R0.1739 CCOC(=O)CCCCNC(CO)COC 2230a_100000724102_100000750268 [0,2,0,0,0,0|2,0,0]=4 11455 B15R0.1739 CCOC(=O)CCCCNC(CO)COC 34a_100000724102_100000750268 [0,2,0,0,0,0|2,0,0]=4 11456 B15R0.1739 CCOC(=O)CCCCOC(CC)COC 7a_200011214946_100000750268 [0,2,0,0,0,0|2,0,0]=4 11457 B15R0.1739 CCOC(=O)CCCCOC(CCl)COC 34a_100011215053_100000750268 [0,2,0,0,0,0|2,0,0]=4 11458 B15R0.1739 CCOC(=O)CCCCOC(CN)COC 34a_100000756049_100000750268 [0,2,0,0,0,0|2,0,0]=4 11459 B15R0.1739 CCOC(=O)CCCNCC(CC)OCC 2230a_100015183923_100009991533 [0,2,0,0,0,0|2,0,0]=4 11460 B15R0.1739 CCOC(=O)CCCNCC(CC)OCC 34a_100015183923_100009991533 [0,2,0,0,0,0|2,0,0]=4 11461 B15R0.2187 CCCC(=O)CSC(C)CCC(=O)OCC 62a_100000747444_100000748298 [0,2,0,0,0,0|1,0,1]=4 11462 B15R0.2187 CCCC(=O)CSC(C)CCC(=O)OCC 62a_100000748298_100000747444 [0,2,0,0,0,0|1,0,1]=4 11463 B15R0.2187 CCCC(C)CCC(C)NCC(=O)NCC 270004a_100016988866_200011216527 [0,2,0,0,0,0|2,0,0]=4 11464 B15R0.2187 CCCC(C)COC(C)CCC(=O)OCC 34a_100000688023_100000748298 [0,2,0,0,0,0|1,0,0]=3 11465 B15R0.2187 CCCC(C)COC(C)CCC(=O)OCC 7a_100000688023_100000748298 [0,2,0,0,0,0|1,0,0]=3 11466 B15R0.2187 CCCC(C)CSC(C)CCC(=O)OCC 62a_100000748298_100011216630 [0,2,0,0,0,0|1,0,0]=3 11467 B15R0.2187 CCCC(C)CSC(C)CCC(=O)OCC 62a_100011216630_100000748298 [0,2,0,0,0,0|1,0,0]=3 11468 B15R0.2187 CCC[C@H](N)COC(C)CCC(=O)OCC 34a_100000732646_100000748298 [0,2,0,0,0,0|1,0,0]=3 11469 B15R0.2187 CCOC(=O)CCC(C)NCC(O)COC 2230a_100000756049_100000748298 [0,2,0,0,0,0|2,0,0]=4 11470 B15R0.2187 CCOC(=O)CCC(C)NCC(O)COC 34a_100000756049_100000748298 [0,2,0,0,0,0|2,0,0]=4 11471 B15R0.2187 CCOC(=O)CCC(C)OCC(C)CCN 34a_106354213184_100000748298 [0,2,0,0,0,0|2,0,0]=4 11472 B15R0.2187 CCOC(=O)CCC(C)OCC(N)COC 34a_100000724102_100000748298 [0,2,0,0,0,0|2,0,0]=4 11473 B15R0.2187 CCOC(=O)CCC(C)SCC(O)COC 62a_100000748298_100011215053 [0,2,0,0,0,0|2,0,0]=4 11474 B15R0.2187 CCOC(=O)CCC(C)SCC(O)COC 62a_100011215053_100000748298 [0,2,0,0,0,0|2,0,0]=4 11475 B15R0.3665 CCCC(C)(C)COCCCC(=O)OCC 7a_100011995695_100011215271 [0,2,0,0,0,0|1,0,0]=3 11476 B15R0.3665 CCCC(C)(C)COCCNC(=O)OCC 7a_100011995695_200011445536 [0,2,0,0,0,0|2,0,0]=4 11477 B15R0.3665 CCCC(C)(C)OCCCCC(=O)OCC 7a_100000748436_100000750268 [0,2,0,0,0,0|1,0,0]=3 11478 B15R0.3665 CCCC(C)(C)OCCOCC(=O)OCC 7a_100000748436_100000088970 [0,2,0,0,0,0|2,0,0]=4 11479 B15R0.3665 CCNC(C)(C)COCCCC(=O)OCC 7a_100000747347_100011215271 [0,2,0,0,0,0|2,0,0]=4 11480 B15R0.3665 CCOC(=O)CCCCNC(C)(C)COC 2230a_100000752728_100000750268 [0,2,0,0,0,0|2,0,0]=4 11481 B15R0.3665 CCOC(=O)CCCCNC(C)(C)CSC 2230a_100000759623_100000750268 [0,2,0,0,0,0|2,0,0]=4 11482 B15R0.3665 CCOC(=O)CCCCNC(C)(C)CSC 7a_100000759623_100000750268 [0,2,0,0,0,0|2,0,0]=4 11483 B15R0.3665 CCOC(=O)CCCCOC(C)(C)CCBr 7a_100000702414_100000750268 [0,2,0,0,0,0|2,0,0]=4 11484 B15R0.3665 CCOC(=O)CCCNCC(C)(C)COC 2230a_100000734190_100009991533 [0,2,0,0,0,0|2,0,0]=4 11485 B15R0.209 CCCNC(=O)CCCNCCC(C)CC 2230a_100020591266_100011194427 [0,2,0,0,0,0|2,0,0]=4 11486 B15R0.209 CCCNC(=O)CCCOCCC(C)CC 7a_100011215188_100011194427 [0,2,0,0,0,0|2,0,0]=4 11487 B15R0.209 CCCOC(=O)OCOCCCC(C)CC 7a_100011216074_200000139673 [0,2,0,0,0,0|2,0,0]=4 11488 B15R0.209 CCOCC(=O)CCCCCCC(=O)OC 1458a_100000211967_100009815986 [0,2,0,0,0,0|1,0,1]=4 11489 B15R0.251 CC(C)OC(=O)CCCCCN[C@H](C)CO 2230a_100000737577_200010986244 [0,2,0,0,0,0|2,0,0]=4 11490 B15R0.251 CC(C)OC(=O)CCCCCOC(C)CF 34a_100016041109_200010986244 [0,2,0,0,0,0|2,0,0]=4 11491 B15R0.251 CC(C)OC(=O)CCCCCOC(C)CF 7a_100016041109_200010986244 [0,2,0,0,0,0|2,0,0]=4 11492 B15R0.251 CC(C)OC(=O)CCCCCOC(C)CN 34a_100000210904_200010986244 [0,2,0,0,0,0|2,0,0]=4 11493 B15R0.251 CC(C)OC(=O)CCCCCSC(C)CO 62a_100012180447_200010986244 [0,2,0,0,0,0|2,0,0]=4 11494 B15R0.251 CC(C)OC(=O)CCCCCS[C@H](C)CO 62a_100016084084_200010986244 [0,2,0,0,0,0|2,0,0]=4 11495 B15R0.251 CC(C)OC(=O)CCCCCS[C@H](C)CO 62a_200010986244_100016084084 [0,2,0,0,0,0|2,0,0]=4 11496 B15R0.251 CCC(C)CCCOCCC(=O)NC(C)C 7a_100011216074_100000737564 [0,2,0,0,0,0|2,0,0]=4 11497 B15R0.251 CCC(C)CCCOCCC(=O)OC(C)C 7a_100011216074_100000760027 [0,2,0,0,0,0|1,0,0]=3 11498 B15R0.251 CCC(C)NCCCCCC(=O)OC(C)C 2230a_100000209981_200010986244 [0,2,0,0,0,0|1,0,0]=3 11499 B15R0.251 CCC(C)OCCCCCC(=O)OC(C)C 7a_100000210228_200010986244 [0,2,0,0,0,0|1,0,0]=3 11500 B15R0.251 CCC(C)SCCCCCC(=O)OC(C)C 62a_100000758301_200010986244 [0,2,0,0,0,0|1,0,0]=3 11501 B15R0.251 CCC(C)SCCCCCC(=O)OC(C)C 62a_200010986244_100000758301 [0,2,0,0,0,0|1,0,0]=3 11502 B15R0.251 CCN(C)CCCSCCC(=O)OC(C)C 62a_100000760027_100015186262 [0,2,0,0,0,0|2,0,0]=4 11503 B15R0.251 COC(C)SCCCCCC(=O)OC(C)C 62a_100009879195_200010986244 [0,2,0,0,0,0|2,0,0]=4 11504 B15R0.251 COC(C)SCCCCCC(=O)OC(C)C 62a_200010986244_100009879195 [0,2,0,0,0,0|2,0,0]=4 11505 B15R0.309 C=C(COCCCC(C)CC)C(=O)OCC 7a_100011216074_100000755967 [0,2,0,0,0,0|1,0,1]=4 11506 B15R0.309 CCOC(=O)C(=O)CCCCCC(=O)CC 1458a_100000210414_100000068741 [0,2,0,0,0,0|0,0,2]=4 11507 B15R0.309 CCOC(=O)C(=O)CCCCCN(C)CC 2230a_100000225621_100000068741 [0,2,0,0,0,0|1,0,1]=4 11508 B15R0.309 CCOC(=O)C(=O)CCCCCN(C)CC 269982a_100000225621_100000068741 [0,2,0,0,0,0|1,0,1]=4 11509 B15R0.386 C=C(C)C(=O)CCCCCCC(=O)OCC 1458a_100000185857_100009814379 [0,2,0,0,0,0|0,0,2]=4 11510 B15R0.386 CCOC(=O)CCCCCCC(=O)C(C)C 1458a_100000031895_100000210206 [0,2,0,0,0,0|0,0,1]=3 11511 B15R0.386 CCOC(=O)CCCCCCC(=O)C(C)C 1458a_100000210198_100009814379 [0,2,0,0,0,0|0,0,1]=3 11512 B15R0.386 CCOC(=O)CCCCCCC(=O)C(C)F 1458a_100000062450_100009814379 [0,2,0,0,0,0|0,0,1]=3 11513 B15R0.386 CCOC(=O)CCCCCCC(=O)C(O)O 1458a_100000233687_100009814379 [0,2,0,0,0,0|1,0,1]=4 11514 B15R0.386 CCOC(=O)CCCCCCC(=O)N(C)C 11a_100102631434_100000031895 [0,2,0,0,0,0|1,0,1]=4 11515 B15R0.386 CCOC(=O)CCCCCCC(=O)N(C)C 1626a_100102631434_100000031895 [0,2,0,0,0,0|1,0,1]=4 11516 B15R0.386 CCOC(=O)CCCCCCC(=O)N(C)C 240690a_100102631434_100000031895 [0,2,0,0,0,0|1,0,1]=4 11517 B15R0.386 CCOC(=O)CCCCCCC(=O)N(C)C 527a_100102631434_100000031895 [0,2,0,0,0,0|1,0,1]=4 11518 B15R0.386 CCOC(=O)CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100009814379 [0,2,0,0,0,0|0,0,1]=3 11519 B15R0.386 CCOC(=O)CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100009814379 [0,2,0,0,0,0|0,0,1]=3 11520 B15R0.386 CCOC(=O)CCCCCCN(C)C(C)C 269982a_200000211004_100009814379 [0,2,0,0,0,0|1,0,0]=3 11521 B15R0.386 CCOC(=O)CCCCCNC(=O)C(C)C 188690a_100000062434_100000210198 [0,2,0,0,0,0|1,0,1]=4 11522 B15R0.386 CCOC(=O)CCCCCNC(=O)C(C)F 188690a_100000062434_100000062450 [0,2,0,0,0,0|1,0,1]=4 11523 B15R0.386 CCOC(=O)CCCCCNC(=O)[C@@H](C)O 188690a_100000062434_100000717761 [0,2,0,0,0,0|1,0,1]=4 11524 B15R0.386 CCOC(=O)CCCCCNC(=O)[C@H](C)O 188690a_100000062434_217856618621 [0,2,0,0,0,0|1,0,1]=4 11525 B15R0.386 CCOC(=O)CCCCCNC(C)C(C)C 2230a_100000211541_100000755133 [0,2,0,0,0,0|1,0,0]=3 11526 B15R0.386 CCOC(=O)CCCCCOC(C)C(=O)C 34a_100000212229_100000755133 [0,2,0,0,0,0|1,0,1]=4 11527 B15R0.386 CCOC(=O)CCCCCOC(C)C(=O)C 7a_100011214988_100000179758 [0,2,0,0,0,0|1,0,1]=4 11528 B15R0.386 CCOC(=O)CCCCCOC(C)C(C)C 7a_100000748068_100000755133 [0,2,0,0,0,0|1,0,0]=3 11529 B15R0.386 CCOC(=O)CCCCCSC(C)C(=O)C 62a_100000755133_100009814033 [0,2,0,0,0,0|1,0,1]=4 11530 B15R0.386 CCOC(=O)CCCCCSC(C)C(=O)C 62a_100009814033_100000755133 [0,2,0,0,0,0|1,0,1]=4 11531 B15R0.386 CCOC(=O)CCCCNCC(O)C(C)C 2230a_100000759067_100000750268 [0,2,0,0,0,0|1,0,0]=3 11532 B15R0.386 CCOC(=O)CCCCNCC(O)C(C)C 34a_100000759067_100000750268 [0,2,0,0,0,0|1,0,0]=3 11533 B15R0.386 CCOC(=O)CCCCOCC(C)C(=O)C 34a_100000032740_100000750268 [0,2,0,0,0,0|1,0,1]=4 11534 B15R0.386 CCOC(=O)CCCCOCC(C)C(=O)C 7a_100000032740_100000750268 [0,2,0,0,0,0|1,0,1]=4 11535 B15R0.386 CCOC(=O)CCCCOC[C@H](N)C(C)C 34a_100011830312_100000750268 [0,2,0,0,0,0|1,0,0]=3 11536 B15R0.386 CCOC(=O)CCCCSCC(=O)C(C)C 62a_100000750268_100000753385 [0,2,0,0,0,0|1,0,1]=4 11537 B15R0.386 CCOC(=O)CCCCSCC(=O)C(C)C 62a_100000753385_100000750268 [0,2,0,0,0,0|1,0,1]=4 11538 B15R0.386 CCOC(=O)CCCOCCC(N)C(C)C 34a_100161115045_100009991533 [0,2,0,0,0,0|1,0,0]=3 11539 B15R0.386 CCOC(=O)COCCCNC(C)C(C)C 2230a_100000211541_100009893628 [0,2,0,0,0,0|2,0,0]=4 11540 B15R0.386 CCOC(=O)COCCCOC(C)C(C)C 7a_100000748068_100009893628 [0,2,0,0,0,0|2,0,0]=4 11541 B15R0.386 CCOC(=O)COCCNCC(O)C(C)C 2230a_100000759067_100000088970 [0,2,0,0,0,0|2,0,0]=4 11542 B15R0.386 CCOC(=O)COCCNCC(O)C(C)C 34a_100000759067_100000088970 [0,2,0,0,0,0|2,0,0]=4 11543 B15R0.386 CCOC(=O)COCCOC[C@H](N)C(C)C 34a_100011830312_100000088970 [0,2,0,0,0,0|2,0,0]=4 11544 B15R0.395 CCOC(=O)CC(C)OCCCC(C)CC 7a_100011216074_100009817359 [0,2,0,0,0,0|1,0,0]=3 11545 B15R0.395 CCOC(=O)CC(C)SCCCN(C)CC 62a_100009817359_100015186262 [0,2,0,0,0,0|2,0,0]=4 11546 B15R0.395 CCOC(=O)C[C@@H](C)OCCCN(C)CC 7a_100009816390_100015186262 [0,2,0,0,0,0|2,0,0]=4 11547 B15R0.395 CCOC(=O)C[C@H](O)CNCCC(C)CO 34a_106354213184_100000688340 [0,2,0,0,0,0|2,0,0]=4 11548 B15R0.395 CCOC(=O)C[C@H](O)COCCC(C)CC 7a_100011215188_100000688340 [0,2,0,0,0,0|1,0,0]=3 11549 B15R0.395 CCOC(=O)C[C@H](O)COCCC(C)OC 7a_100000764861_100000688340 [0,2,0,0,0,0|2,0,0]=4 11550 B15R0.408 C#CCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000184674 [0,2,0,0,0,0|0,0,2]=4 11551 B15R0.408 C#CCC(=O)CCCCCCC(=O)OCC 1458a_100011220946_100009814379 [0,2,0,0,0,0|0,0,2]=4 11552 B15R0.408 C#CCC(C)OCCCCCC(=O)OCC 34a_100000685586_100000755133 [0,2,0,0,0,0|0,0,2]=4 11553 B15R0.408 C#CCC(C)OCCCCCC(=O)OCC 7a_100000685586_100000755133 [0,2,0,0,0,0|0,0,2]=4 11554 B15R0.408 C#CCN(C)CCCCCCC(=O)OCC 2230a_100000225692_100009814379 [0,2,0,0,0,0|0,0,2]=4 11555 B15R0.408 C#CCN(C)CCCCCCC(=O)OCC 34a_100000225692_100009814379 [0,2,0,0,0,0|0,0,2]=4 11556 B15R0.408 C/C=C/C(C)OCCCCCC(=O)OCC 34a_200102604097_100000755133 [0,2,0,0,0,0|0,0,2]=4 11557 B15R0.408 C=CCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210623 [0,2,0,0,0,0|0,0,2]=4 11558 B15R0.408 C=CCC(=O)CCCCCCC(=O)OCC 1458a_100000210193_100009814379 [0,2,0,0,0,0|0,0,2]=4 11559 B15R0.408 C=CCC(C)COCCCCC(=O)OCC 34a_100009832082_100000750268 [0,2,0,0,0,0|0,0,2]=4 11560 B15R0.408 C=CCC(C)COCCCCC(=O)OCC 7a_100009832082_100000750268 [0,2,0,0,0,0|0,0,2]=4 11561 B15R0.408 C=CCN(C)CCCCCCC(=O)OCC 2230a_100000225617_100009814379 [0,2,0,0,0,0|0,0,2]=4 11562 B15R0.408 C=CCN(C)CCCCCCC(=O)OCC 269982a_100000225617_100009814379 [0,2,0,0,0,0|0,0,2]=4 11563 B15R0.408 C=CC[C@@H](C)OCCCCCC(=O)OCC 34a_100000731007_100000755133 [0,2,0,0,0,0|0,0,2]=4 11564 B15R0.408 C=CC[C@@H](C)OCCCCCC(=O)OCC 7a_100000731007_100000755133 [0,2,0,0,0,0|0,0,2]=4 11565 B15R0.408 C=CC[C@@H](N)COCCCCC(=O)OCC 34a_100020615467_100000750268 [0,2,0,0,0,0|0,0,2]=4 11566 B15R0.408 CC#CC(=O)CCCCCCC(=O)OCC 1458a_100000763181_100009814379 [0,2,0,0,0,0|0,0,2]=4 11567 B15R0.408 CC#CC(C)OCCCCCC(=O)OCC 34a_100011216543_100000755133 [0,2,0,0,0,0|0,0,2]=4 11568 B15R0.408 CC=CC(=O)CCCCCCC(=O)OCC 1458a_100000210699_100009814379 [0,2,0,0,0,0|0,0,2]=4 11569 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000031895_100000210303 [0,2,0,0,0,0|0,0,0]=2 11570 B15R0.408 CCCC(=O)CCCCCCC(=O)OCC 1458a_100000211992_100009814379 [0,2,0,0,0,0|0,0,0]=2 11571 B15R0.408 CCCC(=O)COCCSCC(=O)OCC 7a_200000230590_100000747444 [0,2,0,0,0,0|1,0,1]=4 11572 B15R0.408 CCCC(=O)CSCCCCC(=O)OCC 62a_100000747444_100000750268 [0,2,0,0,0,0|0,0,1]=3 11573 B15R0.408 CCCC(=O)CSCCCCC(=O)OCC 62a_100000750268_100000747444 [0,2,0,0,0,0|0,0,1]=3 11574 B15R0.408 CCCC(=O)CSCCOCC(=O)OCC 62a_100000088970_100000747444 [0,2,0,0,0,0|1,0,1]=4 11575 B15R0.408 CCCC(=O)CSCCOCC(=O)OCC 62a_100000747444_100000088970 [0,2,0,0,0,0|1,0,1]=4 11576 B15R0.408 CCCC(=O)NCCCCCC(=O)OCC 188690a_100000062434_100000211992 [0,2,0,0,0,0|0,0,1]=3 11577 B15R0.408 CCCC(=O)OCOCCCC(C)CCC 34a_100011713154_100000034017 [0,2,0,0,0,0|2,0,0]=4 11578 B15R0.408 CCCC(=O)OCSCCCC(=O)OCC 62a_100009991533_100000034017 [0,2,0,0,0,0|1,0,1]=4 11579 B15R0.408 CCCC(C)CCCOCCC(=O)NCC 7a_100011713154_100000737597 [0,2,0,0,0,0|1,0,0]=3 11580 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 34a_100011713154_100000765890 [0,2,0,0,0,0|0,0,0]=2 11581 B15R0.408 CCCC(C)CCCOCCC(=O)OCC 7a_100011713154_100011206558 [0,2,0,0,0,0|0,0,0]=2 11582 B15R0.408 CCCC(C)CCOC/C=C/C(=O)OCC 34a_100011217855_100016267167 [0,2,0,0,0,0|0,0,2]=4 11583 B15R0.408 CCCC(C)CCOC/C=C/C(=O)OCC 7a_100011217855_100016267167 [0,2,0,0,0,0|0,0,2]=4 11584 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 34a_100011217855_100009991533 [0,2,0,0,0,0|0,0,0]=2 11585 B15R0.408 CCCC(C)CCOCCCC(=O)OCC 7a_100011217855_100011215271 [0,2,0,0,0,0|0,0,0]=2 11586 B15R0.408 CCCC(C)CCOCCNC(=O)OCC 7a_100011217855_200011445536 [0,2,0,0,0,0|1,0,0]=3 11587 B15R0.408 CCCC(C)COCCCCC(=O)OCC 34a_100000688023_100000750268 [0,2,0,0,0,0|0,0,0]=2 11588 B15R0.408 CCCC(C)COCCCCC(=O)OCC 7a_100000688023_100000750268 [0,2,0,0,0,0|0,0,0]=2 11589 B15R0.408 CCCC(C)COCCOCC(=O)OCC 34a_100000688023_100000088970 [0,2,0,0,0,0|1,0,0]=3 11590 B15R0.408 CCCC(C)COCCOCC(=O)OCC 7a_100000688023_100000088970 [0,2,0,0,0,0|1,0,0]=3 11591 B15R0.408 CCCC(C)COCCSCC(=O)OCC 7a_200000230590_100011216630 [0,2,0,0,0,0|1,0,0]=3 11592 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100000750268_100011216630 [0,2,0,0,0,0|0,0,0]=2 11593 B15R0.408 CCCC(C)CSCCCCC(=O)OCC 62a_100011216630_100000750268 [0,2,0,0,0,0|0,0,0]=2 11594 B15R0.408 CCCC(C)CSCCOCC(=O)OCC 62a_100000088970_100011216630 [0,2,0,0,0,0|1,0,0]=3 11595 B15R0.408 CCCC(C)CSCCOCC(=O)OCC 62a_100011216630_100000088970 [0,2,0,0,0,0|1,0,0]=3 11596 B15R0.408 CCCC(C)NCCCCCC(=O)OCC 2230a_100000741246_100000755133 [0,2,0,0,0,0|0,0,0]=2 11597 B15R0.408 CCCC(C)NCCCOCC(=O)OCC 2230a_100000741246_100009893628 [0,2,0,0,0,0|1,0,0]=3 11598 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 34a_100000764384_100000755133 [0,2,0,0,0,0|0,0,0]=2 11599 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100000764384_100000755133 [0,2,0,0,0,0|0,0,0]=2 11600 B15R0.408 CCCC(C)OCCCCCC(=O)OCC 7a_100011214988_100000766640 [0,2,0,0,0,0|0,0,0]=2 11601 B15R0.408 CCCC(C)OCCCOCC(=O)OCC 34a_100000764384_100009893628 [0,2,0,0,0,0|1,0,0]=3 11602 B15R0.408 CCCC(C)OCCCOCC(=O)OCC 7a_100000764384_100009893628 [0,2,0,0,0,0|1,0,0]=3 11603 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000755133_100000766640 [0,2,0,0,0,0|0,0,0]=2 11604 B15R0.408 CCCC(C)SCCCCCC(=O)OCC 62a_100000766640_100000755133 [0,2,0,0,0,0|0,0,0]=2 11605 B15R0.408 CCCC(C)SCCCOCC(=O)OCC 62a_100000766640_100009893628 [0,2,0,0,0,0|1,0,0]=3 11606 B15R0.408 CCCC(C)SCCCOCC(=O)OCC 62a_100009893628_100000766640 [0,2,0,0,0,0|1,0,0]=3 11607 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 2230a_100000747261_100009814379 [0,2,0,0,0,0|0,0,0]=2 11608 B15R0.408 CCCN(C)CCCCCCC(=O)OCC 269982a_100000747261_100009814379 [0,2,0,0,0,0|0,0,0]=2 11609 B15R0.408 CCC[C@H](N)CCOC/C=C/C(=O)OCC 34a_100015193777_100016267167 [0,2,0,0,0,0|0,0,2]=4 11610 B15R0.408 CCC[C@H](N)CCOCCCC(=O)OCC 34a_100015193777_100009991533 [0,2,0,0,0,0|0,0,0]=2 11611 B15R0.408 CCC[C@H](N)COCCCCC(=O)OCC 34a_100000732646_100000750268 [0,2,0,0,0,0|0,0,0]=2 11612 B15R0.408 CCC[C@H](N)COCCOCC(=O)OCC 34a_100000732646_100000088970 [0,2,0,0,0,0|1,0,0]=3 11613 B15R0.408 CCNC(=O)CCCCCCC(=O)OCC 11a_100015525214_100000031895 [0,2,0,0,0,0|0,0,1]=3 11614 B15R0.408 CCNC(=O)CCCCCCC(=O)OCC 240690a_100015525214_100000031895 [0,2,0,0,0,0|0,0,1]=3 11615 B15R0.408 CCNC(=O)CCCCCCC(=O)OCC 527a_100015525214_100000031895 [0,2,0,0,0,0|0,0,1]=3 11616 B15R0.408 CCNC(=O)CCNCCCC(=O)OCC 34a_100025743525_100009991533 [0,2,0,0,0,0|1,0,1]=4 11617 B15R0.408 CCNC(=O)CCOCCCC(=O)OCC 7a_100012001163_100000737597 [0,2,0,0,0,0|1,0,1]=4 11618 B15R0.408 CCNC(=O)CCSCCCC(=O)OCC 62a_100000737597_100009991533 [0,2,0,0,0,0|1,0,1]=4 11619 B15R0.408 CCNC(=O)CCSCCCC(=O)OCC 62a_100009991533_100000737597 [0,2,0,0,0,0|1,0,1]=4 11620 B15R0.408 CCNC(=O)CNCCCCC(=O)OCC 2230a_100016988866_100000750268 [0,2,0,0,0,0|1,0,1]=4 11621 B15R0.408 CCNC(=O)CSCCCCC(=O)OCC 62a_100000183381_100000750268 [0,2,0,0,0,0|1,0,1]=4 11622 B15R0.408 CCNC(=O)CSCCCCC(=O)OCC 62a_100000750268_100000183381 [0,2,0,0,0,0|1,0,1]=4 11623 B15R0.408 CCOC(=O)CCCCCCC(=O)CC#N 1458a_100000031895_100011214920 [0,2,0,0,0,0|0,0,2]=4 11624 B15R0.408 CCOC(=O)CCCCCCC(=O)CC#N 1458a_100051588842_100009814379 [0,2,0,0,0,0|0,0,2]=4 11625 B15R0.408 CCOC(=O)CCCCCCC(=O)CCF 1458a_100000031895_100011217306 [0,2,0,0,0,0|0,0,1]=3 11626 B15R0.408 CCOC(=O)CCCCCCC(=O)CCO 1458a_100000031895_100000211926 [0,2,0,0,0,0|0,0,1]=3 11627 B15R0.408 CCOC(=O)CCCCCCC(=O)CCO 1458a_100011216618_100009814379 [0,2,0,0,0,0|0,0,1]=3 11628 B15R0.408 CCOC(=O)CCCCCCC(=O)COC 1458a_100000210968_100009814379 [0,2,0,0,0,0|0,0,1]=3 11629 B15R0.408 CCOC(=O)CCCCCCC(=O)CSC 1458a_100000184570_100009814379 [0,2,0,0,0,0|0,0,1]=3 11630 B15R0.408 CCOC(=O)CCCCCCN(C)CC#N 2230a_100000748184_100009814379 [0,2,0,0,0,0|1,0,1]=4 11631 B15R0.408 CCOC(=O)CCCCCCN(C)CCO 2230a_100000210263_100009814379 [0,2,0,0,0,0|1,0,0]=3 11632 B15R0.408 CCOC(=O)CCCCCCN(C)CCO 269982a_100000210263_100009814379 [0,2,0,0,0,0|1,0,0]=3 11633 B15R0.408 CCOC(=O)CCCCCNC(=O)COC 188690a_100000062434_100000210968 [0,2,0,0,0,0|1,0,1]=4 11634 B15R0.408 CCOC(=O)CCCCCNC(=O)CSC 188690a_100000062434_100000184570 [0,2,0,0,0,0|1,0,1]=4 11635 B15R0.408 CCOC(=O)CCCCCN[C@@H](C)CC#N 2230a_100016994482_100000755133 [0,2,0,0,0,0|1,0,1]=4 11636 B15R0.408 CCOC(=O)CCCCCN[C@H](C)CCO 2230a_100000706166_100000755133 [0,2,0,0,0,0|1,0,0]=3 11637 B15R0.408 CCOC(=O)CCCCCN[C@H](C)CCO 34a_100000706166_100000755133 [0,2,0,0,0,0|1,0,0]=3 11638 B15R0.408 CCOC(=O)CCCCCN[C@H](C)COC 2230a_100000764878_100000755133 [0,2,0,0,0,0|1,0,0]=3 11639 B15R0.408 CCOC(=O)CCCCCOC(C)CC#N 7a_100011214988_100009813641 [0,2,0,0,0,0|1,0,1]=4 11640 B15R0.408 CCOC(=O)CCCCCOC(C)CCBr 34a_100012276601_100000755133 [0,2,0,0,0,0|1,0,0]=3 11641 B15R0.408 CCOC(=O)CCCCCOC(C)CCO 7a_100011214988_100009893172 [0,2,0,0,0,0|1,0,0]=3 11642 B15R0.408 CCOC(=O)CCCCCOC(C)COC 7a_100011214988_100000765312 [0,2,0,0,0,0|1,0,0]=3 11643 B15R0.408 CCOC(=O)CCCCCO[C@H](C)COC 34a_100011934205_100000755133 [0,2,0,0,0,0|1,0,0]=3 11644 B15R0.408 CCOC(=O)CCCCCSC(C)CC#N 62a_100000755133_100009813641 [0,2,0,0,0,0|1,0,1]=4 11645 B15R0.408 CCOC(=O)CCCCCSC(C)CC#N 62a_100009813641_100000755133 [0,2,0,0,0,0|1,0,1]=4 11646 B15R0.408 CCOC(=O)CCCCCSC(C)CCO 62a_100000755133_100009893172 [0,2,0,0,0,0|1,0,0]=3 11647 B15R0.408 CCOC(=O)CCCCCSC(C)CCO 62a_100009893172_100000755133 [0,2,0,0,0,0|1,0,0]=3 11648 B15R0.408 CCOC(=O)CCCCCSC(C)COC 62a_100000755133_100000765312 [0,2,0,0,0,0|1,0,0]=3 11649 B15R0.408 CCOC(=O)CCCCCSC(C)COC 62a_100000765312_100000755133 [0,2,0,0,0,0|1,0,0]=3 11650 B15R0.408 CCOC(=O)CCCCNCC(O)COC 2230a_100000756049_100000750268 [0,2,0,0,0,0|1,0,0]=3 11651 B15R0.408 CCOC(=O)CCCCNCC(O)COC 34a_100000756049_100000750268 [0,2,0,0,0,0|1,0,0]=3 11652 B15R0.408 CCOC(=O)CCCCOCC(C)CCN 34a_106354213184_100000750268 [0,2,0,0,0,0|1,0,0]=3 11653 B15R0.408 CCOC(=O)CCCCOCC(N)COC 34a_100000724102_100000750268 [0,2,0,0,0,0|1,0,0]=3 11654 B15R0.408 CCOC(=O)CCCCSCC(=O)OCC 62a_100000188475_100000750268 [0,2,0,0,0,0|1,0,1]=4 11655 B15R0.408 CCOC(=O)CCCCSCC(=O)OCC 62a_100000750268_100000188475 [0,2,0,0,0,0|1,0,1]=4 11656 B15R0.408 CCOC(=O)CCCCSCC(O)COC 62a_100000750268_100011215053 [0,2,0,0,0,0|1,0,0]=3 11657 B15R0.408 CCOC(=O)CCCCSCC(O)COC 62a_100011215053_100000750268 [0,2,0,0,0,0|1,0,0]=3 11658 B15R0.408 CCOC(=O)CCCCSC[C@@H](O)CC#N 62a_100000001066_100000750268 [0,2,0,0,0,0|1,0,1]=4 11659 B15R0.408 CCOC(=O)CCCCSC[C@@H](O)CC#N 62a_100000750268_100000001066 [0,2,0,0,0,0|1,0,1]=4 11660 B15R0.408 CCOC(=O)CCCOCCC(=O)OCC 7a_100012001163_100011206558 [0,2,0,0,0,0|1,0,1]=4 11661 B15R0.408 CCOC(=O)CCCSCCC(=O)OCC 62a_100000765890_100009991533 [0,2,0,0,0,0|1,0,1]=4 11662 B15R0.408 CCOC(=O)CCCSCCC(=O)OCC 62a_100009991533_100000765890 [0,2,0,0,0,0|1,0,1]=4 11663 B15R0.408 CCOC(=O)COCCCN[C@H](C)CCO 2230a_100000706166_100009893628 [0,2,0,0,0,0|2,0,0]=4 11664 B15R0.408 CCOC(=O)COCCCN[C@H](C)CCO 34a_100000706166_100009893628 [0,2,0,0,0,0|2,0,0]=4 11665 B15R0.408 CCOC(=O)COCCCN[C@H](C)COC 2230a_100000764878_100009893628 [0,2,0,0,0,0|2,0,0]=4 11666 B15R0.408 CCOC(=O)COCCCOC(C)CCBr 34a_100012276601_100009893628 [0,2,0,0,0,0|2,0,0]=4 11667 B15R0.408 CCOC(=O)COCCCO[C@H](C)COC 34a_100011934205_100009893628 [0,2,0,0,0,0|2,0,0]=4 11668 B15R0.408 CCOC(=O)COCCCSC(C)CCO 62a_100009893172_100009893628 [0,2,0,0,0,0|2,0,0]=4 11669 B15R0.408 CCOC(=O)COCCCSC(C)CCO 62a_100009893628_100009893172 [0,2,0,0,0,0|2,0,0]=4 11670 B15R0.408 CCOC(=O)COCCCSC(C)COC 62a_100000765312_100009893628 [0,2,0,0,0,0|2,0,0]=4 11671 B15R0.408 CCOC(=O)COCCCSC(C)COC 62a_100009893628_100000765312 [0,2,0,0,0,0|2,0,0]=4 11672 B15R0.408 CCOC(=O)COCCNCC(O)COC 2230a_100000756049_100000088970 [0,2,0,0,0,0|2,0,0]=4 11673 B15R0.408 CCOC(=O)COCCNCC(O)COC 34a_100000756049_100000088970 [0,2,0,0,0,0|2,0,0]=4 11674 B15R0.408 CCOC(=O)COCCOCC(C)CCN 34a_106354213184_100000088970 [0,2,0,0,0,0|2,0,0]=4 11675 B15R0.408 CCOC(=O)COCCOCC(N)COC 34a_100000724102_100000088970 [0,2,0,0,0,0|2,0,0]=4 11676 B15R0.408 CCOC(=O)COCCSCC(O)COC 62a_100000088970_100011215053 [0,2,0,0,0,0|2,0,0]=4 11677 B15R0.408 CCOC(=O)COCCSCC(O)COC 62a_100011215053_100000088970 [0,2,0,0,0,0|2,0,0]=4 11678 B15R0.408 CCOC(=O)CSCCOCC(O)COC 7a_200000230590_100011215053 [0,2,0,0,0,0|2,0,0]=4 11679 B15R0.1733 CCOC(=O)CCCCC(=O)CC(=O)CC 1458a_100011217402_100000747405 [0,2,0,0,0,0|0,0,2]=4 11680 B15R0.1733 CCOC(=O)CCCCC(=O)CC(C)CC 1458a_100000708755_100000750268 [0,2,0,0,0,0|0,0,1]=3 11681 B15R0.1733 CCOC(=O)CCCCC(=O)CC(C)CC 1458a_100011217402_100000748023 [0,2,0,0,0,0|0,0,1]=3 11682 B15R0.1733 CCOC(=O)CCCCC(=O)CC(O)CC 1458a_100011217402_100011218378 [0,2,0,0,0,0|0,0,1]=3 11683 B15R0.1733 CCOC(=O)CCCCC(=O)CC(O)CC 1458a_100011667805_100000750268 [0,2,0,0,0,0|0,0,1]=3 11684 B15R0.1733 CCOC(=O)CCCCC(=O)CN(C)CC 1458a_100116209913_100000750268 [0,2,0,0,0,0|1,0,1]=4 11685 B15R0.1733 CCOC(=O)CCCCC(=O)C[C@@H](C)CC 1458a_100011217402_100009816398 [0,2,0,0,0,0|0,0,1]=3 11686 B15R0.1733 CCOC(=O)CCCCC(=O)C[C@@H](C)CO 1458a_100011217402_100000059175 [0,2,0,0,0,0|1,0,1]=4 11687 B15R0.1733 CCOC(=O)CCCCC(=O)NC(C)CC 11a_100000209981_100011217402 [0,2,0,0,0,0|1,0,1]=4 11688 B15R0.1733 CCOC(=O)CCCCC(=O)NC(C)CC 1626a_100000209981_100011217402 [0,2,0,0,0,0|1,0,1]=4 11689 B15R0.1733 CCOC(=O)CCCCC(=O)NC(C)CC 240690a_100000209981_100011217402 [0,2,0,0,0,0|1,0,1]=4 11690 B15R0.1733 CCOC(=O)CCCCC(=O)NC(C)CC 527a_100000209981_100011217402 [0,2,0,0,0,0|1,0,1]=4 11691 B15R0.1733 CCOC(=O)CCCCN(C)CC(C)CC 2230a_100000753921_100000750268 [0,2,0,0,0,0|1,0,0]=3 11692 B15R0.1733 CCOC(=O)CCCCN(C)CC(C)CC 269982a_100000753921_100000750268 [0,2,0,0,0,0|1,0,0]=3 11693 B15R0.1733 CCOC(=O)CCCCN(C)CC(O)CO 2230a_100011216503_100000750268 [0,2,0,0,0,0|2,0,0]=4 11694 B15R0.1733 CCOC(=O)CCCCN(C)CC(O)CO 269982a_100011216503_100000750268 [0,2,0,0,0,0|2,0,0]=4 11695 B15R0.1733 CCOC(=O)CCCNC(=O)CC(C)CC 188690a_100000211256_100000708755 [0,2,0,0,0,0|1,0,1]=4 11696 B15R0.1733 CCOC(=O)CCCNC(=O)CC(O)CC 188690a_100000211256_100011667805 [0,2,0,0,0,0|1,0,1]=4 11697 B15R0.1733 CCOC(=O)CCCNC(C)CC(C)CC 2230a_100000763565_100009991533 [0,2,0,0,0,0|1,0,0]=3 11698 B15R0.1733 CCOC(=O)COCCC(=O)CC(C)CC 1458a_100000708755_100000088970 [0,2,0,0,0,0|1,0,1]=4 11699 B15R0.1733 CCOC(=O)COCCC(=O)CC(O)CC 1458a_100011667805_100000088970 [0,2,0,0,0,0|1,0,1]=4 11700 B15R0.1733 CCOC(=O)COCCN(C)CC(C)CC 2230a_100000753921_100000088970 [0,2,0,0,0,0|2,0,0]=4 11701 B15R0.1733 CCOC(=O)COCCN(C)CC(C)CC 269982a_100000753921_100000088970 [0,2,0,0,0,0|2,0,0]=4 11702 B15R0.2847 C#CC(CC)OCCCCCC(=O)OCC 34a_100000758843_100000755133 [0,2,0,0,0,0|1,0,0]=3 11703 B15R0.2847 C#CC(CC)OCCCCCC(=O)OCC 7a_100000758843_100000755133 [0,2,0,0,0,0|1,0,0]=3 11704 B15R0.2847 C#CC(CC)OCCCOCC(=O)OCC 34a_100000758843_100009893628 [0,2,0,0,0,0|2,0,0]=4 11705 B15R0.2847 C#CC(CC)OCCCOCC(=O)OCC 7a_100000758843_100009893628 [0,2,0,0,0,0|2,0,0]=4 11706 B15R0.2847 C=CC(CC)OCCCCCC(=O)OCC 34a_100000766422_100000755133 [0,2,0,0,0,0|1,0,0]=3 11707 B15R0.2847 C=CC(CC)OCCCCCC(=O)OCC 7a_100000766422_100000755133 [0,2,0,0,0,0|1,0,0]=3 11708 B15R0.2847 C=CC(CC)OCCCOCC(=O)OCC 34a_100000766422_100009893628 [0,2,0,0,0,0|2,0,0]=4 11709 B15R0.2847 C=CC(CC)OCCCOCC(=O)OCC 7a_100000766422_100009893628 [0,2,0,0,0,0|2,0,0]=4 11710 B15R0.2847 C=C[C@@H](CO)NCCCCCC(=O)OCC 2230a_100016989147_100000755133 [0,2,0,0,0,0|2,0,0]=4 11711 B15R0.2847 C=C[C@@H](CO)NCCCCCC(=O)OCC 34a_100016989147_100000755133 [0,2,0,0,0,0|2,0,0]=4 11712 B15R0.2847 CCOC(=O)CCCCCCN(CC)CC 2230a_100000724800_100009814379 [0,2,0,0,0,0|1,0,0]=3 11713 B15R0.2847 CCOC(=O)CCCCCCN(CC)CC 269956a_100000042499_100009814379 [0,2,0,0,0,0|1,0,0]=3 11714 B15R0.2847 CCOC(=O)CCCCCCN(CC)CC 269982a_100000724800_100009814379 [0,2,0,0,0,0|1,0,0]=3 11715 B15R0.2847 CCOC(=O)CCCCCNC(CC)CC 2230a_100000199018_100000755133 [0,2,0,0,0,0|1,0,0]=3 11716 B15R0.2847 CCOC(=O)CCCCCNC(CO)CO 2230a_100000759517_100000755133 [0,2,0,0,0,0|2,0,0]=4 11717 B15R0.2847 CCOC(=O)CCCCCN[C@@H](CC)CO 2230a_100000709445_100000755133 [0,2,0,0,0,0|1,0,0]=3 11718 B15R0.2847 CCOC(=O)CCCCCOC(CC)CC 7a_100000688536_100000755133 [0,2,0,0,0,0|1,0,0]=3 11719 B15R0.2847 CCOC(=O)CCCCCOC(CC)CC 7a_100011214988_100000210505 [0,2,0,0,0,0|1,0,0]=3 11720 B15R0.2847 CCOC(=O)CCCCCOC(CCl)CCl 7a_100000737055_100000755133 [0,2,0,0,0,0|2,0,0]=4 11721 B15R0.2847 CCOC(=O)CCCCCOC(CF)CF 34a_100000032261_100000755133 [0,2,0,0,0,0|2,0,0]=4 11722 B15R0.2847 CCOC(=O)CCCCCOC(CF)CF 7a_100000032261_100000755133 [0,2,0,0,0,0|2,0,0]=4 11723 B15R0.2847 CCOC(=O)CCCCCOC(CN)CN 34a_100000031598_100000755133 [0,2,0,0,0,0|2,0,0]=4 11724 B15R0.2847 CCOC(=O)CCCCCO[C@@H](CF)CCl 34a_100015614560_100000755133 [0,2,0,0,0,0|2,0,0]=4 11725 B15R0.2847 CCOC(=O)CCCCCO[C@@H](CF)CCl 7a_100015614560_100000755133 [0,2,0,0,0,0|2,0,0]=4 11726 B15R0.2847 CCOC(=O)CCCCCSC(CC)CC 62a_100000210505_100000755133 [0,2,0,0,0,0|1,0,0]=3 11727 B15R0.2847 CCOC(=O)CCCCCSC(CC)CC 62a_100000755133_100000210505 [0,2,0,0,0,0|1,0,0]=3 11728 B15R0.2847 CCOC(=O)CCCCNCC(CC)CC 2230a_100102946423_100000750268 [0,2,0,0,0,0|1,0,0]=3 11729 B15R0.2847 CCOC(=O)CCCCOCC(CC)CC 7a_100000703878_100000750268 [0,2,0,0,0,0|1,0,0]=3 11730 B15R0.2847 CCOC(=O)CCCCOCC(CC)OC 34a_100011934954_100000750268 [0,2,0,0,0,0|1,0,0]=3 11731 B15R0.2847 CCOC(=O)CCCCOCC(CC)OC 7a_100011934954_100000750268 [0,2,0,0,0,0|1,0,0]=3 11732 B15R0.2847 CCOC(=O)CCCCOCC(OC)OC 34a_100011216393_100000750268 [0,2,0,0,0,0|2,0,0]=4 11733 B15R0.2847 CCOC(=O)CCCCOCN(CC)CC 7a_200015374951_100000750268 [0,2,0,0,0,0|2,0,0]=4 11734 B15R0.2847 CCOC(=O)CCCCSCC(CC)CC 62a_100000750268_100011215472 [0,2,0,0,0,0|1,0,0]=3 11735 B15R0.2847 CCOC(=O)CCCCSCC(CC)CC 62a_100011215472_100000750268 [0,2,0,0,0,0|1,0,0]=3 11736 B15R0.2847 CCOC(=O)CCCCSCC(OC)OC 62a_100000750268_100000751394 [0,2,0,0,0,0|2,0,0]=4 11737 B15R0.2847 CCOC(=O)CCCCSCC(OC)OC 62a_100000751394_100000750268 [0,2,0,0,0,0|2,0,0]=4 11738 B15R0.2847 CCOC(=O)CCCNCCN(CC)CC 2230a_100015382049_100009991533 [0,2,0,0,0,0|2,0,0]=4 11739 B15R0.2847 CCOC(=O)CCCOCCC(OC)OC 7a_100012001163_100009813347 [0,2,0,0,0,0|2,0,0]=4 11740 B15R0.2847 CCOC(=O)CCCOCCN(CC)CC 7a_100012001163_100000700428 [0,2,0,0,0,0|2,0,0]=4 11741 B15R0.2847 CCOC(=O)CCCOCCN(CC)CC 7a_100016990331_100011215271 [0,2,0,0,0,0|2,0,0]=4 11742 B15R0.2847 CCOC(=O)CCCSCCC(OC)OC 62a_100000139399_100009991533 [0,2,0,0,0,0|2,0,0]=4 11743 B15R0.2847 CCOC(=O)CCCSCCC(OC)OC 62a_100009991533_100000139399 [0,2,0,0,0,0|2,0,0]=4 11744 B15R0.2847 CCOC(=O)CCCSCCN(CC)CC 62a_100009991533_100000700428 [0,2,0,0,0,0|2,0,0]=4 11745 B15R0.2847 CCOC(=O)CCOCCCN(CC)CC 7a_100000212844_100011206558 [0,2,0,0,0,0|2,0,0]=4 11746 B15R0.2847 CCOC(=O)CCSCCCC(OC)OC 62a_100000069011_100000765890 [0,2,0,0,0,0|2,0,0]=4 11747 B15R0.2847 CCOC(=O)CCSCCCC(OC)OC 62a_100000765890_100000069011 [0,2,0,0,0,0|2,0,0]=4 11748 B15R0.2847 CCOC(=O)CCSCCCN(CC)CC 62a_100000765890_100000709985 [0,2,0,0,0,0|2,0,0]=4 11749 B15R0.2847 CCOC(=O)CNCCCCN(CC)CC 2230a_100000743895_100000188475 [0,2,0,0,0,0|2,0,0]=4 11750 B15R0.2847 CCOC(=O)COCCCCN(CC)CC 7a_100011305530_100000188475 [0,2,0,0,0,0|2,0,0]=4 11751 B15R0.2847 CCOC(=O)COCCCCN(CC)N=O 34a_200000035056_100000188475 [0,2,0,0,0,0|2,0,0]=4 11752 B15R0.2847 CCOC(=O)COCCCNC(CC)CC 2230a_100000199018_100009893628 [0,2,0,0,0,0|2,0,0]=4 11753 B15R0.2847 CCOC(=O)COCCCN[C@@H](CC)CO 2230a_100000709445_100009893628 [0,2,0,0,0,0|2,0,0]=4 11754 B15R0.2847 CCOC(=O)COCCCOC(CC)CC 7a_100000688536_100009893628 [0,2,0,0,0,0|2,0,0]=4 11755 B15R0.2847 CCOC(=O)COCCCSC(CC)CC 62a_100000210505_100009893628 [0,2,0,0,0,0|2,0,0]=4 11756 B15R0.2847 CCOC(=O)COCCCSC(CC)CC 62a_100009893628_100000210505 [0,2,0,0,0,0|2,0,0]=4 11757 B15R0.2847 CCOC(=O)COCCNCC(CC)CC 2230a_100102946423_100000088970 [0,2,0,0,0,0|2,0,0]=4 11758 B15R0.2847 CCOC(=O)COCCOCC(CC)CC 7a_100000703878_100000088970 [0,2,0,0,0,0|2,0,0]=4 11759 B15R0.2847 CCOC(=O)COCCOCC(CC)OC 34a_100011934954_100000088970 [0,2,0,0,0,0|2,0,0]=4 11760 B15R0.2847 CCOC(=O)COCCOCC(CC)OC 7a_100011934954_100000088970 [0,2,0,0,0,0|2,0,0]=4 11761 B15R0.2847 CCOC(=O)COCCSCC(CC)CC 62a_100000088970_100011215472 [0,2,0,0,0,0|2,0,0]=4 11762 B15R0.2847 CCOC(=O)COCCSCC(CC)CC 62a_100011215472_100000088970 [0,2,0,0,0,0|2,0,0]=4 11763 B15R0.2847 CCOC(=O)CSCCOCC(CC)CC 7a_200000230590_100011215472 [0,2,0,0,0,0|2,0,0]=4 11764 B15R0.2951 CCOC(=O)CCCCCNC(C)(C)CC 2230a_100000211385_100000755133 [0,2,0,0,0,0|1,0,0]=3 11765 B15R0.2951 CCOC(=O)CCCCCNC(C)(C)CO 2230a_100000210608_100000755133 [0,2,0,0,0,0|2,0,0]=4 11766 B15R0.2951 CCOC(=O)CCCCCOC(C)(C)CC 7a_100000210230_100000755133 [0,2,0,0,0,0|1,0,0]=3 11767 B15R0.2951 CCOC(=O)CCCCCOC(C)(C)CC 7a_100011214988_100000210677 [0,2,0,0,0,0|1,0,0]=3 11768 B15R0.2951 CCOC(=O)CCCCCOC(C)(C)CCl 7a_100000764493_100000755133 [0,2,0,0,0,0|2,0,0]=4 11769 B15R0.2951 CCOC(=O)CCCCCSC(C)(C)CC 62a_100000032637_100000755133 [0,2,0,0,0,0|1,0,0]=3 11770 B15R0.2951 CCOC(=O)CCCCCSC(C)(C)CC 62a_100000755133_100000032637 [0,2,0,0,0,0|1,0,0]=3 11771 B15R0.2951 CCOC(=O)CCCCCSC(F)(F)CO 62a_100000755133_100011217949 [0,2,0,0,0,0|2,0,0]=4 11772 B15R0.2951 CCOC(=O)CCCCCSC(F)(F)CO 62a_100011217949_100000755133 [0,2,0,0,0,0|2,0,0]=4 11773 B15R0.2951 CCOC(=O)CCCCNCC(C)(C)CO 2230a_100020635058_100000750268 [0,2,0,0,0,0|2,0,0]=4 11774 B15R0.2951 CCOC(=O)CCCCNCC(C)(C)OC 2230a_100000763424_100000750268 [0,2,0,0,0,0|2,0,0]=4 11775 B15R0.2951 CCOC(=O)CCCCOCC(C)(C)CC 7a_100000765029_100000750268 [0,2,0,0,0,0|1,0,0]=3 11776 B15R0.2951 CCOC(=O)CCCCOCC(C)(C)CCl 7a_100011217199_100000750268 [0,2,0,0,0,0|2,0,0]=4 11777 B15R0.2951 CCOC(=O)CCCCOCC(F)(F)CN 34a_100000703232_100000750268 [0,2,0,0,0,0|2,0,0]=4 11778 B15R0.2951 CCOC(=O)CCCCSCC(C)(C)CO 62a_100000750268_100009813988 [0,2,0,0,0,0|2,0,0]=4 11779 B15R0.2951 CCOC(=O)CCCCSCC(C)(C)CO 62a_100009813988_100000750268 [0,2,0,0,0,0|2,0,0]=4 11780 B15R0.2951 CCOC(=O)CCCCSCC(C)(C)OC 62a_100000701081_100000750268 [0,2,0,0,0,0|2,0,0]=4 11781 B15R0.2951 CCOC(=O)CCCCSCC(C)(C)OC 62a_100000750268_100000701081 [0,2,0,0,0,0|2,0,0]=4 11782 B15R0.2951 CCOC(=O)CCCNCCS(=O)(=O)CC 2230a_100000751051_100009991533 [0,2,0,0,0,0|2,0,0]=4 11783 B15R0.2951 CCOC(=O)CCCNCCS(=O)(=O)CC 34a_100000751051_100009991533 [0,2,0,0,0,0|2,0,0]=4 11784 B15R0.2951 CCOC(=O)CCCOCCC(C)(C)OC 7a_100000699976_100011215271 [0,2,0,0,0,0|2,0,0]=4 11785 B15R0.2951 CCOC(=O)CCCOCCS(=O)(=O)CC 34a_200011216379_100009991533 [0,2,0,0,0,0|2,0,0]=4 11786 B15R0.2951 CCOC(=O)CCCOCCS(=O)(=O)CC 7a_100012001163_100000756660 [0,2,0,0,0,0|2,0,0]=4 11787 B15R0.2951 CCOC(=O)CCCOCCS(=O)(=O)CC 7a_200011216379_100011215271 [0,2,0,0,0,0|2,0,0]=4 11788 B15R0.2951 CCOC(=O)CCCSCCS(=O)(=O)CC 62a_100000756660_100009991533 [0,2,0,0,0,0|2,0,0]=4 11789 B15R0.2951 CCOC(=O)CCCSCCS(=O)(=O)CC 62a_100009991533_100000756660 [0,2,0,0,0,0|2,0,0]=4 11790 B15R0.2951 CCOC(=O)CCNCCCC(C)(C)CO 2230a_100000039164_100011206558 [0,2,0,0,0,0|2,0,0]=4 11791 B15R0.2951 CCOC(=O)COCCCNC(C)(C)CC 2230a_100000211385_100009893628 [0,2,0,0,0,0|2,0,0]=4 11792 B15R0.2951 CCOC(=O)COCCCOC(C)(C)CC 7a_100000210230_100009893628 [0,2,0,0,0,0|2,0,0]=4 11793 B15R0.2951 CCOC(=O)COCCCSC(C)(C)CC 62a_100000032637_100009893628 [0,2,0,0,0,0|2,0,0]=4 11794 B15R0.2951 CCOC(=O)COCCCSC(C)(C)CC 62a_100009893628_100000032637 [0,2,0,0,0,0|2,0,0]=4 11795 B15R0.2951 CCOC(=O)COCCOCC(C)(C)CC 7a_100000765029_100000088970 [0,2,0,0,0,0|2,0,0]=4 11796 B15R0.3040 CCNC(=O)CCOC(C)CCC(C)CC 7a_200011216552_100000737597 [0,2,0,0,0,0|2,0,0]=4 11797 B15R0.3040 CCOC(=O)CCCC(=O)CCC(C)CC 1458a_100000701222_100011215271 [0,2,0,0,0,0|0,0,1]=3 11798 B15R0.3040 CCOC(=O)CCCC(=O)CCN(C)CC 1458a_100000755305_100011215271 [0,2,0,0,0,0|1,0,1]=4 11799 B15R0.3040 CCOC(=O)CCCC(=O)CCS(=O)CC 1458a_100011387550_100011215271 [0,2,0,0,0,0|1,0,1]=4 11800 B15R0.3040 CCOC(=O)CCCC(=O)NCC(C)CC 11a_100020588543_100000210991 [0,2,0,0,0,0|1,0,1]=4 11801 B15R0.3040 CCOC(=O)CCCC(=O)NCC(C)CC 1626a_100020588543_100000210991 [0,2,0,0,0,0|1,0,1]=4 11802 B15R0.3040 CCOC(=O)CCCC(=O)NCC(C)CC 240690a_100020588543_100000210991 [0,2,0,0,0,0|1,0,1]=4 11803 B15R0.3040 CCOC(=O)CCCC(=O)NCC(C)CC 527a_100020588543_100000210991 [0,2,0,0,0,0|1,0,1]=4 11804 B15R0.3040 CCOC(=O)CCCC(=O)NCC(O)CC 11a_100011218483_100000210991 [0,2,0,0,0,0|1,0,1]=4 11805 B15R0.3040 CCOC(=O)CCCC(=O)NCC(O)CC 240690a_100011218483_100000210991 [0,2,0,0,0,0|1,0,1]=4 11806 B15R0.3040 CCOC(=O)CCCC(=O)NCC(O)CC 527a_100011218483_100000210991 [0,2,0,0,0,0|1,0,1]=4 11807 B15R0.3040 CCOC(=O)CCNC(=O)CCC(C)CC 188690a_100000746078_100000701222 [0,2,0,0,0,0|1,0,1]=4 11808 B15R0.3040 CCOC(=O)CCNC(=O)CCC(O)CC 188690a_100000746078_203496584001 [0,2,0,0,0,0|1,0,1]=4 11809 B15R0.3040 CCOC(=O)CCOC(C)CCC(C)CC 7a_200011216552_100011206558 [0,2,0,0,0,0|1,0,0]=3 11810 B15R0.3040 CCOC(=O)NCCC(=O)CCC(C)CC 1458a_100000701222_200011445536 [0,2,0,0,0,0|1,0,1]=4 11811 B15R0.4649 CCOC(=O)CCC(=O)CCCN(C)CC 1458a_100000183558_100015186262 [0,2,0,0,0,0|1,0,1]=4 11812 B15R0.4649 CCOC(=O)CCC(=O)NCCC(C)CC 11a_100020591266_100000183558 [0,2,0,0,0,0|1,0,1]=4 11813 B15R0.4649 CCOC(=O)CCC(=O)NCCC(C)CC 1626a_100020591266_100000183558 [0,2,0,0,0,0|1,0,1]=4 11814 B15R0.4649 CCOC(=O)CCC(=O)NCCC(C)CC 240690a_100020591266_100000183558 [0,2,0,0,0,0|1,0,1]=4 11815 B15R0.4649 CCOC(=O)CCC(C)NCCC(C)CC 2230a_100020591266_100000748298 [0,2,0,0,0,0|1,0,0]=3 11816 B15R0.4649 CCOC(=O)CCC(C)NCCC(C)CO 2230a_106354213184_100000748298 [0,2,0,0,0,0|2,0,0]=4 11817 B15R0.4649 CCOC(=O)CCC(C)NCCC(C)CO 34a_106354213184_100000748298 [0,2,0,0,0,0|2,0,0]=4 11818 B15R0.4649 CCOC(=O)CCC(C)OCCC(C)CC 7a_100011215188_100000748298 [0,2,0,0,0,0|1,0,0]=3 11819 B15R0.4649 CCOC(=O)CCC(C)OCCC(C)OC 7a_100000764861_100000748298 [0,2,0,0,0,0|2,0,0]=4 11820 B15R0.4649 CCOC(=O)CCN(C)CCCN(C)CC 2230a_100000745921_100015186262 [0,2,0,0,0,0|2,0,0]=4 11821 B15R0.4649 CCOC(=O)CCN(C)CCCN(C)CC 269982a_100000745921_100015186262 [0,2,0,0,0,0|2,0,0]=4 11822 B15R0.67 C=C(C)CC(=O)CC(O)CCCCCCC 1458a_200011667753_100000748629 [0,2,0,0,0,0|1,0,1]=4 11823 B15R0.67 CC(C)OC(=O)CC(=O)CCCCCCO 1458a_100011996774_100011215430 [0,2,0,0,0,0|1,0,1]=4 11824 B15R0.67 CCCCCCCC(=O)CC(=O)NC(C)C 1458a_100000211969_100000183996 [0,2,0,0,0,0|1,0,1]=4 11825 B15R0.67 CCCCCCCC(=O)CC(=O)OC(C)C 1458a_100000211969_100011215430 [0,2,0,0,0,0|0,0,1]=3 11826 B15R0.67 CCCCCCCC(O)CC(=O)CC(C)C 1458a_200011667753_100000210624 [0,2,0,0,0,0|1,0,0]=3 11827 B15R0.67 CCCCCCCC(O)CC(=O)CC(C)O 1458a_200011667753_100011218427 [0,2,0,0,0,0|1,0,0]=3 11828 B15R0.67 CCCCCCCC(O)CC(=O)CC(F)F 1458a_200011667753_100011934356 [0,2,0,0,0,0|2,0,0]=4 11829 B15R0.67 CCCCCCCC(O)CC(=O)NC(C)C 1626a_100138425928_200011667753 [0,2,0,0,0,0|1,0,0]=3 11830 B15R0.67 CCCCCCCC(O)CC(=O)NC(C)C 240690a_100138425928_200011667753 [0,2,0,0,0,0|1,0,0]=3 11831 B15R0.67 CCCCCCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210681 [0,2,0,0,0,0|2,0,0]=4 11832 B15R0.67 CCCCCCCN(C)CC(=O)NC(C)C 2230a_100000228206_100000183996 [0,2,0,0,0,0|2,0,0]=4 11833 B15R0.67 CCCCCCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210681 [0,2,0,0,0,0|2,0,0]=4 11834 B15R0.67 CCCCCCCN(C)CC(=O)NC(C)C 269982a_100000228206_100000183996 [0,2,0,0,0,0|2,0,0]=4 11835 B15R0.67 CCCCCCCN(C)CC(=O)OC(C)C 2230a_100000228206_100011215430 [0,2,0,0,0,0|1,0,0]=3 11836 B15R0.67 CCCCCCCN(C)CC(=O)OC(C)C 269982a_100000228206_100011215430 [0,2,0,0,0,0|1,0,0]=3 11837 B15R0.67 CCCCCCOC(C)OC(=O)OC(C)C 7a_100000210259_100000067433 [0,2,0,0,0,0|2,0,0]=4 11838 B15R0.67 CCCCCCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210757 [0,2,0,0,0,0|2,0,0]=4 11839 B15R0.67 CCCCCCSC(C)OC(=O)OC(C)C 62a_100000210314_100000067433 [0,2,0,0,0,0|2,0,0]=4 11840 B15R0.67 COCCCCCC(=O)CC(=O)OC(C)C 1458a_100011935119_100011215430 [0,2,0,0,0,0|1,0,1]=4 11841 B15R0.138 C#CCCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000753159 [0,2,0,0,0,0|1,0,1]=4 11842 B15R0.138 C#CCNC(=O)CC(O)CCCCCCC 1626a_100000212058_200011667753 [0,2,0,0,0,0|1,0,1]=4 11843 B15R0.138 C#CCNC(=O)CC(O)CCCCCCC 240690a_100000212058_200011667753 [0,2,0,0,0,0|1,0,1]=4 11844 B15R0.138 C/C=C/CC(=O)CC(O)CCCCCCC 1458a_200011667753_100102629194 [0,2,0,0,0,0|1,0,1]=4 11845 B15R0.138 C=C(CC(=O)CCCCCCC)OCOC 1458a_100000211969_100000042856 [0,2,0,0,0,0|1,0,1]=4 11846 B15R0.138 C=C(CN(C)CCCCCCC)OCOC 269982a_100000228206_100000042856 [0,2,0,0,0,0|2,0,0]=4 11847 B15R0.138 C=CCCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000754431 [0,2,0,0,0,0|1,0,1]=4 11848 B15R0.138 C=CCNC(=O)CC(O)CCCCCCC 1626a_100020586998_200011667753 [0,2,0,0,0,0|1,0,1]=4 11849 B15R0.138 C=CCNC(=O)CC(O)CCCCCCC 240690a_100020586998_200011667753 [0,2,0,0,0,0|1,0,1]=4 11850 B15R0.138 C=CCOC(=O)CC(=O)CCCCCCC 1458a_100000211969_100000033060 [0,2,0,0,0,0|0,0,2]=4 11851 B15R0.138 C=CCOC(=O)CN(C)CCCCCCC 2230a_100000228206_100000033060 [0,2,0,0,0,0|1,0,1]=4 11852 B15R0.138 C=CCOC(=O)CN(C)CCCCCCC 269982a_100000228206_100000033060 [0,2,0,0,0,0|1,0,1]=4 11853 B15R0.138 CC#CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000748600 [0,2,0,0,0,0|1,0,1]=4 11854 B15R0.138 CC=CCC(=O)CC(O)CCCCCCC 1458a_200011667753_100000070051 [0,2,0,0,0,0|1,0,1]=4 11855 B15R0.138 CCCCCCCC(=O)CC(=O)NCCC 1458a_100000211969_100000183358 [0,2,0,0,0,0|1,0,1]=4 11856 B15R0.138 CCCCCCCC(=O)CC(=O)OCCC 1458a_100000211969_200011215008 [0,2,0,0,0,0|0,0,1]=3 11857 B15R0.138 CCCCCCCC(O)CC(=O)CCC#N 1458a_200011667753_100011215226 [0,2,0,0,0,0|1,0,1]=4 11858 B15R0.138 CCCCCCCC(O)CC(=O)CCCC 1458a_200011667753_100000210211 [0,2,0,0,0,0|1,0,0]=3 11859 B15R0.138 CCCCCCCC(O)CC(=O)CCCF 1458a_200011667753_100011934791 [0,2,0,0,0,0|1,0,0]=3 11860 B15R0.138 CCCCCCCC(O)CC(=O)CCCO 1458a_200011667753_100011215043 [0,2,0,0,0,0|1,0,0]=3 11861 B15R0.138 CCCCCCCC(O)CC(=O)CCOC 1458a_200011667753_100000233755 [0,2,0,0,0,0|1,0,0]=3 11862 B15R0.138 CCCCCCCC(O)CC(=O)CCSC 1458a_200011667753_100000751147 [0,2,0,0,0,0|1,0,0]=3 11863 B15R0.138 CCCCCCCC(O)CC(=O)NCC#N 1626a_100000734998_200011667753 [0,2,0,0,0,0|1,0,1]=4 11864 B15R0.138 CCCCCCCC(O)CC(=O)NCCC 1626a_100020643023_200011667753 [0,2,0,0,0,0|1,0,0]=3 11865 B15R0.138 CCCCCCCC(O)CC(=O)NCCC 240690a_100020643023_200011667753 [0,2,0,0,0,0|1,0,0]=3 11866 B15R0.138 CCCCCCCC(O)CC(=O)NCCF 1626a_100000724931_200011667753 [0,2,0,0,0,0|1,0,0]=3 11867 B15R0.138 CCCCCCCC(O)CC(=O)NCCF 240690a_100000724931_200011667753 [0,2,0,0,0,0|1,0,0]=3 11868 B15R0.138 CCCCCCCC(O)CC(=O)NCCO 240690a_100000210304_200011667753 [0,2,0,0,0,0|1,0,0]=3 11869 B15R0.138 CCCCCCCC(O)CC(=O)NNCC 22a_100000756455_200011667753 [0,2,0,0,0,0|1,0,0]=3 11870 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 2230a_100000228206_100000183358 [0,2,0,0,0,0|2,0,0]=4 11871 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210681 [0,2,0,0,0,0|2,0,0]=4 11872 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 269982a_100000228206_100000183358 [0,2,0,0,0,0|2,0,0]=4 11873 B15R0.138 CCCCCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210681 [0,2,0,0,0,0|2,0,0]=4 11874 B15R0.138 CCCCCCCN(C)CC(=O)OCCC 2230a_100000228206_200011215008 [0,2,0,0,0,0|1,0,0]=3 11875 B15R0.138 CCCCCCCN(C)CC(=O)OCCC 269982a_100000228206_200011215008 [0,2,0,0,0,0|1,0,0]=3 11876 B15R0.138 CCCCCCNC(=O)CC(=O)COCC 1458a_100000211967_100000230325 [0,2,0,0,0,0|1,0,1]=4 11877 B15R0.138 CCCOC(=O)CC(=O)CCCCCCO 1458a_100011996774_200011215008 [0,2,0,0,0,0|1,0,1]=4 11878 B15R0.138 CCCOC(=O)CC(=O)CCCCCOC 1458a_100011935119_200011215008 [0,2,0,0,0,0|1,0,1]=4 11879 B15R0.211 CCCCC(C)CCC(=O)CC(=O)CCC 1458a_100000033779_100000747444 [0,2,0,0,0,0|1,0,1]=4 11880 B15R0.211 CCCCC(C)CCC(=O)CC(=O)NCC 1458a_100000033779_100000183381 [0,2,0,0,0,0|1,0,1]=4 11881 B15R0.211 CCCCC(C)CCC(=O)CC(=O)OCC 1458a_100000033779_100000188475 [0,2,0,0,0,0|0,0,1]=3 11882 B15R0.211 CCCCC(C)COC(C)CC(=O)OCC 7a_100011995851_100009817359 [0,2,0,0,0,0|1,0,0]=3 11883 B15R0.211 CCCCC(C)OC[C@@H](O)CC(=O)OCC 34a_100000687866_100000688340 [0,2,0,0,0,0|1,0,0]=3 11884 B15R0.211 CCCCC(C)OC[C@@H](O)CC(=O)OCC 7a_100000687866_100000688340 [0,2,0,0,0,0|1,0,0]=3 11885 B15R0.211 CCCCC(C)SCC(=O)CC(=O)OCC 62a_100000210311_200011215066 [0,2,0,0,0,0|1,0,1]=4 11886 B15R0.211 CCCCC(C)SCC(=O)CC(=O)OCC 62a_200011215066_100000210311 [0,2,0,0,0,0|1,0,1]=4 11887 B15R0.211 CCCCC(C)SC[C@@H](O)CC(=O)OCC 62a_100000688340_200011215066 [0,2,0,0,0,0|1,0,0]=3 11888 B15R0.211 CCCCC(C)SC[C@@H](O)CC(=O)OCC 62a_200011215066_100000688340 [0,2,0,0,0,0|1,0,0]=3 11889 B15R0.211 CCCOC(C)CNC(C)CC(=O)OCC 2230a_100015185124_100009817359 [0,2,0,0,0,0|2,0,0]=4 11890 B15R0.211 CCOC(=O)CC(C)NC[C@H](C)CCCO 2230a_100160569302_100009817359 [0,2,0,0,0,0|2,0,0]=4 11891 B15R0.211 CCOC(=O)C[C@H](O)COC(C)CCCCl 34a_200000718107_100000688340 [0,2,0,0,0,0|2,0,0]=4 11892 B15R0.211 CCOC(=O)C[C@H](O)COC(C)CCCCl 7a_200000718107_100000688340 [0,2,0,0,0,0|2,0,0]=4 11893 B15R0.211 CCOCC(C)OC[C@@H](O)CC(=O)OCC 34a_100000718985_100000688340 [0,2,0,0,0,0|2,0,0]=4 11894 B15R0.211 CCOCC(C)OC[C@@H](O)CC(=O)OCC 7a_100000718985_100000688340 [0,2,0,0,0,0|2,0,0]=4 11895 B15R0.211 CCOCC(O)CNC(C)CC(=O)OCC 2230a_102515437182_100009817359 [0,2,0,0,0,0|2,0,0]=4 11896 B15R0.235 CCCCCC(=O)CC(=O)CC(=O)OCC 1458a_100000243816_200012276598 [0,2,0,0,0,0|0,0,2]=4 11897 B15R0.235 CCCCCC(=O)CN(C)CC(=O)OCC 2230a_100000220588_200012276598 [0,2,0,0,0,0|1,0,1]=4 11898 B15R0.235 CCCCCC(=O)NC(C)CC(=O)OCC 188690a_100000686176_100000212188 [0,2,0,0,0,0|1,0,1]=4 11899 B15R0.235 CCCCCC(C)NC(=O)CC(=O)OCC 240690a_100000211957_100000243816 [0,2,0,0,0,0|1,0,1]=4 11900 B15R0.235 CCCCCC(C)NC(C)CC(=O)OCC 2230a_100000211957_100009817359 [0,2,0,0,0,0|1,0,0]=3 11901 B15R0.235 CCCCCC(C)OC(C)CC(=O)OCC 7a_100011215632_100009817359 [0,2,0,0,0,0|1,0,0]=3 11902 B15R0.235 CCCCCC(C)O[C@H](C)CC(=O)OCC 7a_100009816390_200011218191 [0,2,0,0,0,0|1,0,0]=3 11903 B15R0.235 CCCCCC(C)SC(C)CC(=O)OCC 62a_100009817359_200011218191 [0,2,0,0,0,0|1,0,0]=3 11904 B15R0.235 CCCCCC(C)SC(C)CC(=O)OCC 62a_200011218191_100009817359 [0,2,0,0,0,0|1,0,0]=3 11905 B15R0.235 CCCCCC(C)SC(C)OC(=O)OCC 62a_100000036008_200011218191 [0,2,0,0,0,0|2,0,0]=4 11906 B15R0.235 CCCCCC(C)SC(C)OC(=O)OCC 62a_200011218191_100000036008 [0,2,0,0,0,0|2,0,0]=4 11907 B15R0.235 CCCCCN(C)CC(=O)CC(=O)OCC 269982a_100000223495_100000210311 [0,2,0,0,0,0|1,0,1]=4 11908 B15R0.235 CCCCCN(C)C[C@@H](O)CC(=O)OCC 269982a_100000223495_100000688340 [0,2,0,0,0,0|1,0,0]=3 11909 B15R0.235 CCOC(=O)CC(C)OC(C)CCCOC 7a_200011539412_100009817359 [0,2,0,0,0,0|2,0,0]=4 11910 B15R0.235 CCOC(=O)C[C@H](O)CN(C)CCCCO 269982a_100000717598_100000688340 [0,2,0,0,0,0|2,0,0]=4 11911 B15R0.235 CCOC(=O)C[C@H](O)CN(C)CCCOC 269982a_100000224831_100000688340 [0,2,0,0,0,0|2,0,0]=4 11912 B15R0.370 C#CCCCCCCC(=O)CC(=O)OCC 1458a_100000034748_100000188475 [0,2,0,0,0,0|0,0,2]=4 11913 B15R0.370 C#CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100012276617 [0,2,0,0,0,0|0,0,2]=4 11914 B15R0.370 C#CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100012276617 [0,2,0,0,0,0|0,0,2]=4 11915 B15R0.370 C#CCCCCCOC(C)CC(=O)OCC 7a_100000766912_100009817359 [0,2,0,0,0,0|0,0,2]=4 11916 B15R0.370 C#CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100012094781 [0,2,0,0,0,0|0,0,2]=4 11917 B15R0.370 C#CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100012094781 [0,2,0,0,0,0|0,0,2]=4 11918 B15R0.370 C#CCCCCCSC(C)CC(=O)OCC 62a_100012094781_100009817359 [0,2,0,0,0,0|0,0,2]=4 11919 B15R0.370 C#CCCCCNC[C@@H](O)CC(=O)OCC 34a_100000706060_100000688340 [0,2,0,0,0,0|0,0,2]=4 11920 B15R0.370 C#CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000766709_100000688340 [0,2,0,0,0,0|0,0,2]=4 11921 B15R0.370 C#CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000766709_100000688340 [0,2,0,0,0,0|0,0,2]=4 11922 B15R0.370 C#CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100010269958 [0,2,0,0,0,0|0,0,2]=4 11923 B15R0.370 C#CCCCCSC[C@@H](O)CC(=O)OCC 62a_100010269958_100000688340 [0,2,0,0,0,0|0,0,2]=4 11924 B15R0.370 C=C(CCC)CC(=O)CCCCCCCC 1458a_100000138376_100000210759 [0,2,0,0,0,0|2,0,0]=4 11925 B15R0.370 C=CCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100011215473 [0,2,0,0,0,0|0,0,2]=4 11926 B15R0.370 C=CCCCCCCC(=O)CC(=O)OCC 1458a_100011809334_100000188475 [0,2,0,0,0,0|0,0,2]=4 11927 B15R0.370 C=CCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100011215473 [0,2,0,0,0,0|0,0,2]=4 11928 B15R0.370 C=CCCCCCOC(C)CC(=O)OCC 7a_100011216702_100009817359 [0,2,0,0,0,0|0,0,2]=4 11929 B15R0.370 C=CCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000700193 [0,2,0,0,0,0|0,0,2]=4 11930 B15R0.370 C=CCCCCCSC(C)CC(=O)OCC 62a_100000700193_100009817359 [0,2,0,0,0,0|0,0,2]=4 11931 B15R0.370 C=CCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000700193 [0,2,0,0,0,0|0,0,2]=4 11932 B15R0.370 C=CCCCCNC[C@@H](O)CC(=O)OCC 34a_100000703577_100000688340 [0,2,0,0,0,0|0,0,2]=4 11933 B15R0.370 C=CCCCCOC[C@@H](O)CC(=O)OCC 34a_100000766645_100000688340 [0,2,0,0,0,0|0,0,2]=4 11934 B15R0.370 C=CCCCCOC[C@@H](O)CC(=O)OCC 7a_100000766645_100000688340 [0,2,0,0,0,0|0,0,2]=4 11935 B15R0.370 C=CCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215482 [0,2,0,0,0,0|0,0,2]=4 11936 B15R0.370 C=CCCCCSC[C@@H](O)CC(=O)OCC 62a_100011215482_100000688340 [0,2,0,0,0,0|0,0,2]=4 11937 B15R0.370 C=COC(=O)CC(=O)CCCCCCCC 1458a_100000210188_100000036128 [0,2,0,0,0,0|0,0,2]=4 11938 B15R0.370 C=COC(=O)CN(C)CCCCCCCC 2230a_100000207567_100000036128 [0,2,0,0,0,0|0,0,2]=4 11939 B15R0.370 C=COC(=O)CN(C)CCCCCCCC 269982a_100000207567_100000036128 [0,2,0,0,0,0|0,0,2]=4 11940 B15R0.370 CC/C=C/CCCOC(C)CC(=O)OCC 7a_100016287902_100009817359 [0,2,0,0,0,0|0,0,2]=4 11941 B15R0.370 CC/C=C\CCOC[C@@H](O)CC(=O)OCC 34a_100016288707_100000688340 [0,2,0,0,0,0|0,0,2]=4 11942 B15R0.370 CC/C=C\CCOC[C@@H](O)CC(=O)OCC 7a_100016288707_100000688340 [0,2,0,0,0,0|0,0,2]=4 11943 B15R0.370 CC/C=C\CCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100015370543 [0,2,0,0,0,0|0,0,2]=4 11944 B15R0.370 CC/C=C\CCSC[C@@H](O)CC(=O)OCC 62a_100015370543_100000688340 [0,2,0,0,0,0|0,0,2]=4 11945 B15R0.370 CC=CCCCOC[C@@H](O)CC(=O)OCC 34a_100020645299_100000688340 [0,2,0,0,0,0|0,0,2]=4 11946 B15R0.370 CCC#CCCOC[C@@H](O)CC(=O)OCC 34a_100000036655_100000688340 [0,2,0,0,0,0|0,0,2]=4 11947 B15R0.370 CCC#CCCOC[C@@H](O)CC(=O)OCC 7a_100000036655_100000688340 [0,2,0,0,0,0|0,0,2]=4 11948 B15R0.370 CCC/C=C/COC[C@@H](O)CC(=O)OCC 34a_100016278788_100000688340 [0,2,0,0,0,0|0,0,2]=4 11949 B15R0.370 CCC/C=C/COC[C@@H](O)CC(=O)OCC 7a_100016278788_100000688340 [0,2,0,0,0,0|0,0,2]=4 11950 B15R0.370 CCCC#CCCOC(C)CC(=O)OCC 7a_100000042726_100009817359 [0,2,0,0,0,0|0,0,2]=4 11951 B15R0.370 CCCC#CCOC[C@@H](O)CC(=O)OCC 34a_100000034806_100000688340 [0,2,0,0,0,0|0,0,2]=4 11952 B15R0.370 CCCC#CCOC[C@@H](O)CC(=O)OCC 7a_100000034806_100000688340 [0,2,0,0,0,0|0,0,2]=4 11953 B15R0.370 CCCC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000747444 [0,2,0,0,0,0|1,0,1]=4 11954 B15R0.370 CCCC/C=C/COC(C)CC(=O)OCC 7a_200016272032_100009817359 [0,2,0,0,0,0|0,0,2]=4 11955 B15R0.370 CCCCC#CCOC(C)CC(=O)OCC 7a_200000034558_100009817359 [0,2,0,0,0,0|0,0,2]=4 11956 B15R0.370 CCCCC/C=C/CC(=O)CC(=O)OCC 1458a_100020675968_100000188475 [0,2,0,0,0,0|0,0,2]=4 11957 B15R0.370 CCCCCC#CCC(=O)CC(=O)OCC 1458a_100000243816_100009816472 [0,2,0,0,0,0|0,0,2]=4 11958 B15R0.370 CCCCCC#CCN(C)CC(=O)OCC 2230a_100000220588_100009816472 [0,2,0,0,0,0|0,0,2]=4 11959 B15R0.370 CCCCCCC=CC(=O)CC(=O)OCC 1458a_200015324643_100000188475 [0,2,0,0,0,0|0,0,2]=4 11960 B15R0.370 CCCCCCCCC(=O)CC(=O)CCC 1458a_100000210188_100000747444 [0,2,0,0,0,0|1,0,0]=3 11961 B15R0.370 CCCCCCCCC(=O)CC(=O)NCC 1458a_100000210188_100000183381 [0,2,0,0,0,0|1,0,0]=3 11962 B15R0.370 CCCCCCCCC(=O)CC(=O)NCO 1458a_100000210188_100000185155 [0,2,0,0,0,0|2,0,0]=4 11963 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000210188_100000188475 [0,2,0,0,0,0|0,0,0]=2 11964 B15R0.370 CCCCCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210759 [0,2,0,0,0,0|0,0,0]=2 11965 B15R0.370 CCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210759 [0,2,0,0,0,0|2,0,0]=4 11966 B15R0.370 CCCCCCCCN(C)CC(=O)CCC 2230a_100000207567_100000747444 [0,2,0,0,0,0|1,0,0]=3 11967 B15R0.370 CCCCCCCCN(C)CC(=O)CCC 269982a_100000207567_100000747444 [0,2,0,0,0,0|1,0,0]=3 11968 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 2230a_100000207567_100000183381 [0,2,0,0,0,0|1,0,0]=3 11969 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 2230a_100000741943_100000210759 [0,2,0,0,0,0|1,0,0]=3 11970 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 269982a_100000207567_100000183381 [0,2,0,0,0,0|1,0,0]=3 11971 B15R0.370 CCCCCCCCN(C)CC(=O)NCC 269982a_100000741943_100000210759 [0,2,0,0,0,0|1,0,0]=3 11972 B15R0.370 CCCCCCCCN(C)CC(=O)NCO 2230a_100000207567_100000185155 [0,2,0,0,0,0|2,0,0]=4 11973 B15R0.370 CCCCCCCCN(C)CC(=O)NCO 269982a_100000207567_100000185155 [0,2,0,0,0,0|2,0,0]=4 11974 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000207567_100000188475 [0,2,0,0,0,0|0,0,0]=2 11975 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 2230a_100000220588_100000210759 [0,2,0,0,0,0|0,0,0]=2 11976 B15R0.370 CCCCCCCCN(C)CC(=O)OCC 269982a_100000207567_100000188475 [0,2,0,0,0,0|0,0,0]=2 11977 B15R0.370 CCCCCCCNC(=O)CC(=O)OCC 240690a_100000229938_100000243816 [0,2,0,0,0,0|0,0,1]=3 11978 B15R0.370 CCCCCCCNC(C)CC(=O)OCC 2230a_100000229938_100009817359 [0,2,0,0,0,0|0,0,0]=2 11979 B15R0.370 CCCCCCCOC(C)CC(=O)OCC 7a_100000210272_100009817359 [0,2,0,0,0,0|0,0,0]=2 11980 B15R0.370 CCCCCCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210614 [0,2,0,0,0,0|0,0,0]=2 11981 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100000210614_100009817359 [0,2,0,0,0,0|0,0,0]=2 11982 B15R0.370 CCCCCCCSC(C)CC(=O)OCC 62a_100009817359_100000210316 [0,2,0,0,0,0|0,0,0]=2 11983 B15R0.370 CCCCCCCSC(C)OC(=O)OCC 62a_100000036008_100000210316 [0,2,0,0,0,0|1,0,0]=3 11984 B15R0.370 CCCCCCCSC(C)OC(=O)OCC 62a_100000210614_100000036008 [0,2,0,0,0,0|1,0,0]=3 11985 B15R0.370 CCCCCCNCC(=CC(=O)OCC)C 2230a_100000210581_100135422193 [0,2,0,0,0,0|0,0,2]=4 11986 B15R0.370 CCCCCCOCC(=CC(=O)OCC)C 34a_100000210259_100135422193 [0,2,0,0,0,0|0,0,2]=4 11987 B15R0.370 CCCCCCOCC(=CC(=O)OCC)C 7a_100000210259_100135422193 [0,2,0,0,0,0|0,0,2]=4 11988 B15R0.370 CCCCCCOCC(=O)NC(=O)OCC 7a_100000210259_100000010344 [0,2,0,0,0,0|1,0,1]=4 11989 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 34a_100000210259_100000688340 [0,2,0,0,0,0|0,0,0]=2 11990 B15R0.370 CCCCCCOC[C@@H](O)CC(=O)OCC 7a_100000210259_100000688340 [0,2,0,0,0,0|0,0,0]=2 11991 B15R0.370 CCCCCCSCC(=CC(=O)OCC)C 62a_100000210314_100135422193 [0,2,0,0,0,0|0,0,2]=4 11992 B15R0.370 CCCCCCSCC(=CC(=O)OCC)C 62a_100135422193_100000210757 [0,2,0,0,0,0|0,0,2]=4 11993 B15R0.370 CCCCCCSCC(=O)CC(=O)OCC 62a_100000210311_100000210757 [0,2,0,0,0,0|0,0,1]=3 11994 B15R0.370 CCCCCCSCC(=O)CC(=O)OCC 62a_100000210314_100000210311 [0,2,0,0,0,0|0,0,1]=3 11995 B15R0.370 CCCCCCSCC(=O)NC(=O)OCC 62a_100000210314_100000010344 [0,2,0,0,0,0|1,0,1]=4 11996 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000210314_100000688340 [0,2,0,0,0,0|0,0,0]=2 11997 B15R0.370 CCCCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100000210757 [0,2,0,0,0,0|0,0,0]=2 11998 B15R0.370 CCCCOCCOC(C)CC(=O)OCC 7a_100000210238_100009817359 [0,2,0,0,0,0|1,0,0]=3 11999 B15R0.370 CCCCOCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000743108 [0,2,0,0,0,0|1,0,0]=3 12000 B15R0.370 CCCCOCCSC(C)CC(=O)OCC 62a_100000743108_100009817359 [0,2,0,0,0,0|1,0,0]=3 12001 B15R0.370 CCCCOCCSC(C)CC(=O)OCC 62a_100009817359_100000743108 [0,2,0,0,0,0|1,0,0]=3 12002 B15R0.370 CCCCOCCSC(C)OC(=O)OCC 62a_100000036008_100000743108 [0,2,0,0,0,0|2,0,0]=4 12003 B15R0.370 CCCCOCCSC(C)OC(=O)OCC 62a_100000743108_100000036008 [0,2,0,0,0,0|2,0,0]=4 12004 B15R0.370 CCCCOCSCC(=O)CC(=O)OCC 62a_100000210311_100011995733 [0,2,0,0,0,0|1,0,1]=4 12005 B15R0.370 CCCCOCSCC(=O)CC(=O)OCC 62a_100011995733_100000210311 [0,2,0,0,0,0|1,0,1]=4 12006 B15R0.370 CCCCOCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011995733 [0,2,0,0,0,0|1,0,0]=3 12007 B15R0.370 CCCCOCSC[C@@H](O)CC(=O)OCC 62a_100011995733_100000688340 [0,2,0,0,0,0|1,0,0]=3 12008 B15R0.370 CCCCSCCNC(=O)CC(=O)OCC 240690a_100025743550_100000243816 [0,2,0,0,0,0|1,0,1]=4 12009 B15R0.370 CCCCSCCNC(C)CC(=O)OCC 2230a_100025743550_100009817359 [0,2,0,0,0,0|1,0,0]=3 12010 B15R0.370 CCCCSCCOC(C)CC(=O)OCC 7a_200000230436_100009817359 [0,2,0,0,0,0|1,0,0]=3 12011 B15R0.370 CCCOCCCNC(=O)CC(=O)OCC 240690a_100011217757_100000243816 [0,2,0,0,0,0|1,0,1]=4 12012 B15R0.370 CCCOCCCNC(C)CC(=O)OCC 2230a_100011217757_100009817359 [0,2,0,0,0,0|1,0,0]=3 12013 B15R0.370 CCCOCCNC[C@@H](O)CC(=O)OCC 34a_100161115042_100000688340 [0,2,0,0,0,0|1,0,0]=3 12014 B15R0.370 CCCOCCOC[C@@H](O)CC(=O)OCC 34a_100000752267_100000688340 [0,2,0,0,0,0|1,0,0]=3 12015 B15R0.370 CCCOCCOC[C@@H](O)CC(=O)OCC 7a_100000752267_100000688340 [0,2,0,0,0,0|1,0,0]=3 12016 B15R0.370 CCCOCCSCC(=O)CC(=O)OCC 62a_100000210311_100011215938 [0,2,0,0,0,0|1,0,1]=4 12017 B15R0.370 CCCOCCSCC(=O)CC(=O)OCC 62a_100011215938_100000210311 [0,2,0,0,0,0|1,0,1]=4 12018 B15R0.370 CCCOCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100011215938 [0,2,0,0,0,0|1,0,0]=3 12019 B15R0.370 CCCOCCSC[C@@H](O)CC(=O)OCC 62a_100011215938_100000688340 [0,2,0,0,0,0|1,0,0]=3 12020 B15R0.370 CCCSCCOC[C@@H](O)CC(=O)OCC 34a_200000230433_100000688340 [0,2,0,0,0,0|1,0,0]=3 12021 B15R0.370 CCCSCCOC[C@@H](O)CC(=O)OCC 7a_200000230433_100000688340 [0,2,0,0,0,0|1,0,0]=3 12022 B15R0.370 CCNC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000183381 [0,2,0,0,0,0|1,0,1]=4 12023 B15R0.370 CCNC(=O)CN(C)CCCCCCCO 2230a_100000741943_100000760002 [0,2,0,0,0,0|2,0,0]=4 12024 B15R0.370 CCNC(=O)CN(C)CCCCCCCO 269982a_100000741943_100000760002 [0,2,0,0,0,0|2,0,0]=4 12025 B15R0.370 CCNC(=O)CN(C)CCCCCCOC 2230a_100000741943_100011998445 [0,2,0,0,0,0|2,0,0]=4 12026 B15R0.370 CCNC(=O)CN(C)CCCCCCOC 269982a_100000741943_100011998445 [0,2,0,0,0,0|2,0,0]=4 12027 B15R0.370 CCOC(=O)CC(=O)CCCCCCC#N 1458a_100000243816_100009813337 [0,2,0,0,0,0|0,0,2]=4 12028 B15R0.370 CCOC(=O)CC(=O)CCCCCCCO 1458a_100000243816_100000760002 [0,2,0,0,0,0|0,0,1]=3 12029 B15R0.370 CCOC(=O)CC(=O)CCCCCCCO 1458a_100011219782_100000188475 [0,2,0,0,0,0|0,0,1]=3 12030 B15R0.370 CCOC(=O)CC(=O)CCCCCCOC 1458a_100000243816_100011998445 [0,2,0,0,0,0|0,0,1]=3 12031 B15R0.370 CCOC(=O)CC(=O)CCCOCCOC 1458a_100000243816_100011216529 [0,2,0,0,0,0|1,0,1]=4 12032 B15R0.370 CCOC(=O)CC(=O)CSCCCCCF 62a_100000210311_100000729378 [0,2,0,0,0,0|1,0,1]=4 12033 B15R0.370 CCOC(=O)CC(=O)CSCCCCCF 62a_100000729378_100000210311 [0,2,0,0,0,0|1,0,1]=4 12034 B15R0.370 CCOC(=O)CC(=O)CSCCCCCO 62a_100000210311_100000746330 [0,2,0,0,0,0|1,0,1]=4 12035 B15R0.370 CCOC(=O)CC(=O)CSCCCCCO 62a_100000746330_100000210311 [0,2,0,0,0,0|1,0,1]=4 12036 B15R0.370 CCOC(=O)CC(=O)CSCCCCOC 62a_100000210311_100000730899 [0,2,0,0,0,0|1,0,1]=4 12037 B15R0.370 CCOC(=O)CC(=O)CSCCCCOC 62a_100000730899_100000210311 [0,2,0,0,0,0|1,0,1]=4 12038 B15R0.370 CCOC(=O)CC(=O)NCCCCCCO 240690a_100000686447_100000243816 [0,2,0,0,0,0|1,0,1]=4 12039 B15R0.370 CCOC(=O)CC(=O)NCCCCCOC 240690a_100000747528_100000243816 [0,2,0,0,0,0|1,0,1]=4 12040 B15R0.370 CCOC(=O)CC(C)NCCCCCCO 2230a_100000686447_100009817359 [0,2,0,0,0,0|1,0,0]=3 12041 B15R0.370 CCOC(=O)CC(C)NCCCCCOC 2230a_100000747528_100009817359 [0,2,0,0,0,0|1,0,0]=3 12042 B15R0.370 CCOC(=O)CC(C)NCCOCCOC 2230a_100000745349_100009817359 [0,2,0,0,0,0|2,0,0]=4 12043 B15R0.370 CCOC(=O)CC(C)OCCCCCCBr 7a_100011215345_100009817359 [0,2,0,0,0,0|1,0,0]=3 12044 B15R0.370 CCOC(=O)CC(C)OCCCCCCCl 7a_100000766143_100009817359 [0,2,0,0,0,0|1,0,0]=3 12045 B15R0.370 CCOC(=O)CC(C)OCCCCCCF 7a_100000732779_100009817359 [0,2,0,0,0,0|1,0,0]=3 12046 B15R0.370 CCOC(=O)CC(C)OCCOCCOC 7a_100011215163_100009817359 [0,2,0,0,0,0|2,0,0]=4 12047 B15R0.370 CCOC(=O)CC(C)SCCCCCC#N 62a_100009813376_100009817359 [0,2,0,0,0,0|1,0,1]=4 12048 B15R0.370 CCOC(=O)CC(C)SCCCCCC#N 62a_100009817359_100009813376 [0,2,0,0,0,0|1,0,1]=4 12049 B15R0.370 CCOC(=O)CC(C)SCCCCCC=O 62a_100000139337_100009817359 [0,2,0,0,0,0|1,0,1]=4 12050 B15R0.370 CCOC(=O)CC(C)SCCCCCC=O 62a_100009817359_100000139337 [0,2,0,0,0,0|1,0,1]=4 12051 B15R0.370 CCOC(=O)CC(C)SCCCCCCF 62a_100009817359_100015922095 [0,2,0,0,0,0|1,0,0]=3 12052 B15R0.370 CCOC(=O)CC(C)SCCCCCCF 62a_100015922095_100009817359 [0,2,0,0,0,0|1,0,0]=3 12053 B15R0.370 CCOC(=O)CC(C)SCCCCCCO 62a_100000766143_100009817359 [0,2,0,0,0,0|1,0,0]=3 12054 B15R0.370 CCOC(=O)CC(C)SCCCCCCO 62a_100009817359_100000766143 [0,2,0,0,0,0|1,0,0]=3 12055 B15R0.370 CCOC(=O)CC(C)SCCOCCOC 62a_100000695917_100009817359 [0,2,0,0,0,0|2,0,0]=4 12056 B15R0.370 CCOC(=O)CC(C)SCCOCCOC 62a_100009817359_100000695917 [0,2,0,0,0,0|2,0,0]=4 12057 B15R0.370 CCOC(=O)CN(C)CCCCCCC#N 2230a_100000220588_100009813337 [0,2,0,0,0,0|1,0,1]=4 12058 B15R0.370 CCOC(=O)CN(C)CCCCCCCO 2230a_100000220588_100000760002 [0,2,0,0,0,0|1,0,0]=3 12059 B15R0.370 CCOC(=O)CN(C)CCCCCCOC 2230a_100000220588_100011998445 [0,2,0,0,0,0|1,0,0]=3 12060 B15R0.370 CCOC(=O)CN(C)CCCOCCOC 2230a_100000220588_100011216529 [0,2,0,0,0,0|2,0,0]=4 12061 B15R0.370 CCOC(=O)C[C@@H](C)OCCCCCC#N 7a_100009816390_100009813376 [0,2,0,0,0,0|1,0,1]=4 12062 B15R0.370 CCOC(=O)C[C@@H](C)OCCCCCC=O 7a_100009816390_100000139337 [0,2,0,0,0,0|1,0,1]=4 12063 B15R0.370 CCOC(=O)C[C@@H](C)OCCCCCCF 7a_100009816390_100015922095 [0,2,0,0,0,0|1,0,0]=3 12064 B15R0.370 CCOC(=O)C[C@@H](C)OCCCCCCO 7a_100009816390_100000766143 [0,2,0,0,0,0|1,0,0]=3 12065 B15R0.370 CCOC(=O)C[C@@H](C)OCCOCCOC 7a_100009816390_100000695917 [0,2,0,0,0,0|2,0,0]=4 12066 B15R0.370 CCOC(=O)C[C@H](O)CNCCCCCO 34a_100000762737_100000688340 [0,2,0,0,0,0|1,0,0]=3 12067 B15R0.370 CCOC(=O)C[C@H](O)CNCCOCCO 34a_100000211614_100000688340 [0,2,0,0,0,0|2,0,0]=4 12068 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCBr 34a_100000746331_100000688340 [0,2,0,0,0,0|1,0,0]=3 12069 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCBr 7a_100000746331_100000688340 [0,2,0,0,0,0|1,0,0]=3 12070 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCCl 34a_100000746330_100000688340 [0,2,0,0,0,0|1,0,0]=3 12071 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCCl 7a_100000746330_100000688340 [0,2,0,0,0,0|1,0,0]=3 12072 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCI 34a_200012148887_100000688340 [0,2,0,0,0,0|1,0,0]=3 12073 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCI 7a_200012148887_100000688340 [0,2,0,0,0,0|1,0,0]=3 12074 B15R0.370 CCOC(=O)C[C@H](O)COCCCCCN 34a_100000762737_100000688340 [0,2,0,0,0,0|1,0,0]=3 12075 B15R0.370 CCOC(=O)C[C@H](O)COCCCCOC 34a_100000740925_100000688340 [0,2,0,0,0,0|1,0,0]=3 12076 B15R0.370 CCOC(=O)C[C@H](O)COCCCCSC 34a_100011217163_100000688340 [0,2,0,0,0,0|1,0,0]=3 12077 B15R0.370 CCOC(=O)C[C@H](O)COCCCCSC 7a_100011217163_100000688340 [0,2,0,0,0,0|1,0,0]=3 12078 B15R0.370 CCOC(=O)C[C@H](O)COCCCSCC 34a_100011216438_100000688340 [0,2,0,0,0,0|1,0,0]=3 12079 B15R0.370 CCOC(=O)C[C@H](O)COCCCSCC 7a_100011216438_100000688340 [0,2,0,0,0,0|1,0,0]=3 12080 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCBr 34a_100000692535_100000688340 [0,2,0,0,0,0|2,0,0]=4 12081 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCBr 7a_100000692535_100000688340 [0,2,0,0,0,0|2,0,0]=4 12082 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCCl 34a_100011215305_100000688340 [0,2,0,0,0,0|2,0,0]=4 12083 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCCl 7a_100011215305_100000688340 [0,2,0,0,0,0|2,0,0]=4 12084 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCF 34a_200015357709_100000688340 [0,2,0,0,0,0|2,0,0]=4 12085 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCF 7a_200015357709_100000688340 [0,2,0,0,0,0|2,0,0]=4 12086 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCI 34a_100012149058_100000688340 [0,2,0,0,0,0|2,0,0]=4 12087 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCI 7a_100012149058_100000688340 [0,2,0,0,0,0|2,0,0]=4 12088 B15R0.370 CCOC(=O)C[C@H](O)COCCOCCN 34a_100000211614_100000688340 [0,2,0,0,0,0|2,0,0]=4 12089 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCC#N 62a_100000688340_100000211819 [0,2,0,0,0,0|1,0,1]=4 12090 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCC#N 62a_100011219923_100000688340 [0,2,0,0,0,0|1,0,1]=4 12091 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCC=O 62a_100000139335_100000688340 [0,2,0,0,0,0|1,0,1]=4 12092 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCC=O 62a_100000688340_100000139335 [0,2,0,0,0,0|1,0,1]=4 12093 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCCF 62a_100000688340_100000729378 [0,2,0,0,0,0|1,0,0]=3 12094 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCCF 62a_100000729378_100000688340 [0,2,0,0,0,0|1,0,0]=3 12095 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCCO 62a_100000688340_100000746330 [0,2,0,0,0,0|1,0,0]=3 12096 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCCO 62a_100000746330_100000688340 [0,2,0,0,0,0|1,0,0]=3 12097 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCOC 62a_100000688340_100000730899 [0,2,0,0,0,0|1,0,0]=3 12098 B15R0.370 CCOC(=O)C[C@H](O)CSCCCCOC 62a_100000730899_100000688340 [0,2,0,0,0,0|1,0,0]=3 12099 B15R0.370 CCOC(=O)C[C@H](O)CSCCOCCO 62a_100000688340_100011215305 [0,2,0,0,0,0|2,0,0]=4 12100 B15R0.370 CCOC(=O)C[C@H](O)CSCCOCCO 62a_100011215305_100000688340 [0,2,0,0,0,0|2,0,0]=4 12101 B15R0.370 CCOC(=O)C[C@H](O)CSCOCCOC 62a_100000231047_100000688340 [0,2,0,0,0,0|2,0,0]=4 12102 B15R0.370 CCOC(=O)C[C@H](O)CSCOCCOC 62a_100000688340_100000231047 [0,2,0,0,0,0|2,0,0]=4 12103 B15R0.370 CCOC(=O)OC(C)SCCCCCCF 62a_100000036008_100015922095 [0,2,0,0,0,0|2,0,0]=4 12104 B15R0.370 CCOC(=O)OC(C)SCCCCCCF 62a_100015922095_100000036008 [0,2,0,0,0,0|2,0,0]=4 12105 B15R0.370 CCOC(=O)OC(C)SCCCCCCO 62a_100000036008_100000766143 [0,2,0,0,0,0|2,0,0]=4 12106 B15R0.370 CCOC(=O)OC(C)SCCCCCCO 62a_100000766143_100000036008 [0,2,0,0,0,0|2,0,0]=4 12107 B15R0.370 CCOCCCNC[C@@H](O)CC(=O)OCC 34a_100000210961_100000688340 [0,2,0,0,0,0|1,0,0]=3 12108 B15R0.370 CCOCCCOC[C@@H](O)CC(=O)OCC 34a_100000757476_100000688340 [0,2,0,0,0,0|1,0,0]=3 12109 B15R0.370 CCOCCCOC[C@@H](O)CC(=O)OCC 7a_100000757476_100000688340 [0,2,0,0,0,0|1,0,0]=3 12110 B15R0.370 CCOCCCSCC(=O)CC(=O)OCC 62a_100000210311_100012232248 [0,2,0,0,0,0|1,0,1]=4 12111 B15R0.370 CCOCCCSCC(=O)CC(=O)OCC 62a_100012232248_100000210311 [0,2,0,0,0,0|1,0,1]=4 12112 B15R0.370 CCOCCCSC[C@@H](O)CC(=O)OCC 62a_100000688340_100012232248 [0,2,0,0,0,0|1,0,0]=3 12113 B15R0.370 CCOCCCSC[C@@H](O)CC(=O)OCC 62a_100012232248_100000688340 [0,2,0,0,0,0|1,0,0]=3 12114 B15R0.370 CCOCCOCCC(=O)CC(=O)OCC 1458a_100000243816_100011211534 [0,2,0,0,0,0|1,0,1]=4 12115 B15R0.370 CCOCCOCCN(C)CC(=O)OCC 2230a_100000220588_100011211534 [0,2,0,0,0,0|2,0,0]=4 12116 B15R0.399 CCCC(=O)CC(=O)CCCCCC(C)C 1458a_100000766313_100000747444 [0,2,0,0,0,0|1,0,1]=4 12117 B15R0.399 CCNC(=O)CC(=O)CCCCCC(C)C 1458a_100000766313_100000183381 [0,2,0,0,0,0|1,0,1]=4 12118 B15R0.399 CCNC(=O)CN(C)CCCCCC(C)C 2230a_100000741943_100000210682 [0,2,0,0,0,0|2,0,0]=4 12119 B15R0.399 CCNC(=O)CN(C)CCCCCC(C)C 269982a_100000741943_100000210682 [0,2,0,0,0,0|2,0,0]=4 12120 B15R0.399 CCOC(=O)CC(=O)CCCCCC(C)C 1458a_100000243816_100000210682 [0,2,0,0,0,0|0,0,1]=3 12121 B15R0.399 CCOC(=O)CC(=O)CCCCCC(C)C 1458a_100000766313_100000188475 [0,2,0,0,0,0|0,0,1]=3 12122 B15R0.399 CCOC(=O)CC(=O)CSCCCC(C)C 62a_100000210311_100011214892 [0,2,0,0,0,0|1,0,1]=4 12123 B15R0.399 CCOC(=O)CC(=O)CSCCCC(C)C 62a_100011214892_100000210311 [0,2,0,0,0,0|1,0,1]=4 12124 B15R0.399 CCOC(=O)CC(=O)CSCCCC(C)O 62a_100000210311_200000718107 [0,2,0,0,0,0|1,0,1]=4 12125 B15R0.399 CCOC(=O)CC(=O)CSCCCC(C)O 62a_200000718107_100000210311 [0,2,0,0,0,0|1,0,1]=4 12126 B15R0.399 CCOC(=O)CC(C)NCCCOC(C)C 2230a_100000737246_100009817359 [0,2,0,0,0,0|2,0,0]=4 12127 B15R0.399 CCOC(=O)CC(C)OCCCCC(C)C 7a_100011214890_100009817359 [0,2,0,0,0,0|1,0,0]=3 12128 B15R0.399 CCOC(=O)CC(C)OCCOCC(C)C 7a_100000703358_100009817359 [0,2,0,0,0,0|2,0,0]=4 12129 B15R0.399 CCOC(=O)CC(C)OCCSCC(C)C 7a_200000230437_100009817359 [0,2,0,0,0,0|2,0,0]=4 12130 B15R0.399 CCOC(=O)CC(C)SCCCCC(=O)C 62a_100000735457_100009817359 [0,2,0,0,0,0|1,0,1]=4 12131 B15R0.399 CCOC(=O)CC(C)SCCCCC(=O)C 62a_100009817359_100000735457 [0,2,0,0,0,0|1,0,1]=4 12132 B15R0.399 CCOC(=O)CC(C)SCCCCC(C)C 62a_100009817359_100011216152 [0,2,0,0,0,0|1,0,0]=3 12133 B15R0.399 CCOC(=O)CC(C)SCCCCC(C)C 62a_100011216152_100009817359 [0,2,0,0,0,0|1,0,0]=3 12134 B15R0.399 CCOC(=O)CC(C)SCCCCN(C)C 62a_100009817359_100000690147 [0,2,0,0,0,0|2,0,0]=4 12135 B15R0.399 CCOC(=O)CN(C)CCCCCC(C)C 2230a_100000220588_100000210682 [0,2,0,0,0,0|1,0,0]=3 12136 B15R0.399 CCOC(=O)C[C@@H](C)OCCCCC(=O)C 7a_100009816390_100000735457 [0,2,0,0,0,0|1,0,1]=4 12137 B15R0.399 CCOC(=O)C[C@@H](C)OCCCCC(C)C 7a_100009816390_100011216152 [0,2,0,0,0,0|1,0,0]=3 12138 B15R0.399 CCOC(=O)C[C@H](O)CNCCCC(C)C 34a_200000737386_100000688340 [0,2,0,0,0,0|1,0,0]=3 12139 B15R0.399 CCOC(=O)C[C@H](O)CNCCOC(C)C 34a_100000701111_100000688340 [0,2,0,0,0,0|2,0,0]=4 12140 B15R0.399 CCOC(=O)C[C@H](O)CNCCSC(C)C 34a_100000731138_100000688340 [0,2,0,0,0,0|2,0,0]=4 12141 B15R0.399 CCOC(=O)C[C@H](O)COCCCC(=O)C 34a_100000759063_100000688340 [0,2,0,0,0,0|1,0,1]=4 12142 B15R0.399 CCOC(=O)C[C@H](O)COCCCC(=O)C 7a_100000759063_100000688340 [0,2,0,0,0,0|1,0,1]=4 12143 B15R0.399 CCOC(=O)C[C@H](O)COCCCC(C)C 34a_100000210774_100000688340 [0,2,0,0,0,0|1,0,0]=3 12144 B15R0.399 CCOC(=O)C[C@H](O)COCCCC(C)C 7a_100000210774_100000688340 [0,2,0,0,0,0|1,0,0]=3 12145 B15R0.399 CCOC(=O)C[C@H](O)COCCNC(C)C 34a_100000224655_100000688340 [0,2,0,0,0,0|2,0,0]=4 12146 B15R0.399 CCOC(=O)C[C@H](O)COCCOC(C)C 34a_100000211219_100000688340 [0,2,0,0,0,0|2,0,0]=4 12147 B15R0.399 CCOC(=O)C[C@H](O)COCCOC(C)C 7a_100000211219_100000688340 [0,2,0,0,0,0|2,0,0]=4 12148 B15R0.399 CCOC(=O)C[C@H](O)COCCSC(C)C 34a_200011212901_100000688340 [0,2,0,0,0,0|2,0,0]=4 12149 B15R0.399 CCOC(=O)C[C@H](O)COCCSC(C)C 7a_200011212901_100000688340 [0,2,0,0,0,0|2,0,0]=4 12150 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(=O)C 62a_100000688340_100011215641 [0,2,0,0,0,0|1,0,1]=4 12151 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(=O)C 62a_100011215641_100000688340 [0,2,0,0,0,0|1,0,1]=4 12152 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(C)C 62a_100000688340_100011214892 [0,2,0,0,0,0|1,0,0]=3 12153 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(C)C 62a_100011214892_100000688340 [0,2,0,0,0,0|1,0,0]=3 12154 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(C)O 62a_100000688340_200000718107 [0,2,0,0,0,0|1,0,0]=3 12155 B15R0.399 CCOC(=O)C[C@H](O)CSCCCC(C)O 62a_200000718107_100000688340 [0,2,0,0,0,0|1,0,0]=3 12156 B15R0.399 CCOC(=O)C[C@H](O)CSCCCN(C)C 62a_100000688340_100000757444 [0,2,0,0,0,0|2,0,0]=4 12157 B15R0.399 CCOC(=O)C[C@H](O)CSCCOC(C)C 62a_100000211751_100000688340 [0,2,0,0,0,0|2,0,0]=4 12158 B15R0.399 CCOC(=O)C[C@H](O)CSCCOC(C)C 62a_100000688340_100000211751 [0,2,0,0,0,0|2,0,0]=4 12159 B15R0.399 CCOC(=O)C[C@H](O)CSCCSC(C)C 62a_100000688340_100000730970 [0,2,0,0,0,0|2,0,0]=4 12160 B15R0.399 CCOC(=O)C[C@H](O)CSCCSC(C)C 62a_100000730970_100000688340 [0,2,0,0,0,0|2,0,0]=4 12161 B15R0.399 CCOC(=O)OC(C)SCCCCC(C)C 62a_100000036008_100011216152 [0,2,0,0,0,0|2,0,0]=4 12162 B15R0.399 CCOC(=O)OC(C)SCCCCC(C)C 62a_100011216152_100000036008 [0,2,0,0,0,0|2,0,0]=4 12163 B15R0.1921 CCCCCCC(=O)C(C)CC(=O)OCC 1458a_100102632555_100009817359 [0,2,0,0,0,0|0,0,1]=3 12164 B15R0.1921 CCCCCCC(=O)N(C)CC(=O)OCC 11a_100000220588_100102632555 [0,2,0,0,0,0|1,0,1]=4 12165 B15R0.1921 CCCCCCC(=O)N(C)CC(=O)OCC 1626a_100000220588_100102632555 [0,2,0,0,0,0|1,0,1]=4 12166 B15R0.1921 CCCCCCC(=O)N(C)CC(=O)OCC 240690a_100000220588_100102632555 [0,2,0,0,0,0|1,0,1]=4 12167 B15R0.1921 CCCCCCC(=O)N(C)CC(=O)OCC 527a_100000220588_100102632555 [0,2,0,0,0,0|1,0,1]=4 12168 B15R0.1921 CCCCCCC(C)C(=O)CC(=O)OCC 1458a_100000243816_100011215978 [0,2,0,0,0,0|0,0,1]=3 12169 B15R0.1921 CCCCCCC(C)N(C)CC(=O)NCC 2230a_100000741943_100011215978 [0,2,0,0,0,0|2,0,0]=4 12170 B15R0.1921 CCCCCCC(C)N(C)CC(=O)NCC 269982a_100000741943_100011215978 [0,2,0,0,0,0|2,0,0]=4 12171 B15R0.1921 CCCCCCC(C)N(C)CC(=O)NCC 270004a_100000741943_100000210826 [0,2,0,0,0,0|2,0,0]=4 12172 B15R0.1921 CCCCCCC(C)N(C)CC(=O)OCC 2230a_100000220588_100011215978 [0,2,0,0,0,0|1,0,0]=3 12173 B15R0.1921 CCCCCCC(C)N(C)CC(=O)OCC 270004a_100000220588_100000210826 [0,2,0,0,0,0|1,0,0]=3 12174 B15R0.1921 CCCCCCC(O)C(=O)CC(=O)CCC 1458a_100011215828_100000747444 [0,2,0,0,0,0|1,0,1]=4 12175 B15R0.1921 CCCCCCC(O)C(=O)CC(=O)NCC 1458a_100011215828_100000183381 [0,2,0,0,0,0|1,0,1]=4 12176 B15R0.1921 CCCCCCC(O)C(=O)CC(=O)OCC 1458a_100011215828_100000188475 [0,2,0,0,0,0|0,0,1]=3 12177 B15R0.1921 CCCCCCN(C)C(=O)CC(=O)OCC 240690a_106256046315_100000243816 [0,2,0,0,0,0|1,0,1]=4 12178 B15R0.1921 CCCCCCN(C)C(C)CC(=O)OCC 2230a_106256046315_100009817359 [0,2,0,0,0,0|1,0,0]=3 12179 B15R0.1921 CCCCCCN(C)C(C)CC(=O)OCC 269982a_106256046315_100009817359 [0,2,0,0,0,0|1,0,0]=3 12180 B15R0.1921 CCCCCCN(C)C(C)OC(=O)OCC 269982a_106256046315_100000036008 [0,2,0,0,0,0|2,0,0]=4 12181 B15R0.1921 CCCCCSC(C)C(=O)CC(=O)OCC 62a_100000210326_100010090504 [0,2,0,0,0,0|1,0,1]=4 12182 B15R0.1921 CCCCCSC(C)C(=O)CC(=O)OCC 62a_100010090504_100000210326 [0,2,0,0,0,0|1,0,1]=4 12183 B15R0.1921 CCCCOCC(=O)C(C)CC(=O)OCC 1458a_100000757543_100009817359 [0,2,0,0,0,0|1,0,1]=4 12184 B15R0.1921 CCCCSCC(=O)C(C)CC(=O)OCC 1458a_100000191162_100009817359 [0,2,0,0,0,0|1,0,1]=4 12185 B15R0.1921 CCOC(=O)CC(C)C(=O)CCCCCO 1458a_100102619762_100009817359 [0,2,0,0,0,0|1,0,1]=4 12186 B15R0.1921 CCOC(=O)CC(C)N(C)CCCCCO 2230a_100000722520_100009817359 [0,2,0,0,0,0|2,0,0]=4 12187 B15R0.1921 CCOC(=O)CC(C)N(C)CCCCCO 269982a_100000722520_100009817359 [0,2,0,0,0,0|2,0,0]=4 12188 B15R0.2242 CCCCCCCN(CC)CC(=O)CCC 2230a_100000228213_100000747444 [0,2,0,0,0,0|2,0,0]=4 12189 B15R0.2242 CCCCCCCN(CC)CC(=O)CCC 269982a_100000228213_100000747444 [0,2,0,0,0,0|2,0,0]=4 12190 B15R0.2242 CCCCCCCN(CC)CC(=O)NCC 2230a_100000228213_100000183381 [0,2,0,0,0,0|2,0,0]=4 12191 B15R0.2242 CCCCCCCN(CC)CC(=O)NCC 269982a_100000228213_100000183381 [0,2,0,0,0,0|2,0,0]=4 12192 B15R0.2242 CCCCCCCN(CC)CC(=O)OCC 2230a_100000220607_100000210681 [0,2,0,0,0,0|1,0,0]=3 12193 B15R0.2242 CCCCCCCN(CC)CC(=O)OCC 2230a_100000228213_100000188475 [0,2,0,0,0,0|1,0,0]=3 12194 B15R0.2242 CCCCCCCN(CC)CC(=O)OCC 269982a_100000220607_100000210681 [0,2,0,0,0,0|1,0,0]=3 12195 B15R0.2242 CCCCCCCN(CC)CC(=O)OCC 269982a_100000228213_100000188475 [0,2,0,0,0,0|1,0,0]=3 12196 B15R0.2242 CCCCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100000210314 [0,2,0,0,0,0|1,0,0]=3 12197 B15R0.2242 CCCCOCCN(CC)CC(=O)OCC 2230a_100000220607_100000743108 [0,2,0,0,0,0|2,0,0]=4 12198 B15R0.2242 CCCCOCCN(CC)CC(=O)OCC 269982a_100000220607_100000743108 [0,2,0,0,0,0|2,0,0]=4 12199 B15R0.2242 CCCOCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100011215938 [0,2,0,0,0,0|2,0,0]=4 12200 B15R0.2242 CCOC(=O)CN(CC)CCCCCCF 2230a_100000220607_100015922095 [0,2,0,0,0,0|2,0,0]=4 12201 B15R0.2242 CCOC(=O)CN(CC)CCCCCCF 269982a_100000220607_100015922095 [0,2,0,0,0,0|2,0,0]=4 12202 B15R0.2242 CCOC(=O)CN(CC)CCCCCCO 2230a_100000220607_100000766143 [0,2,0,0,0,0|2,0,0]=4 12203 B15R0.2242 CCOC(=O)CN(CC)CCCCCCO 269982a_100000220607_100000766143 [0,2,0,0,0,0|2,0,0]=4 12204 B15R0.2242 CCOC(=O)C[C@@H](CCl)OCCCCCF 7a_100000688340_100000729378 [0,2,0,0,0,0|2,0,0]=4 12205 B15R0.2242 CCOC(=O)C[C@@H](CCl)OCCCCCO 7a_100000688340_100000746330 [0,2,0,0,0,0|2,0,0]=4 12206 B15R0.2242 CCOC(=O)C[C@@H](CCl)OCCCCOC 7a_100000688340_100000730899 [0,2,0,0,0,0|2,0,0]=4 12207 B15R0.2242 CCOCCCO[C@H](CCl)CC(=O)OCC 7a_100000688340_100012232248 [0,2,0,0,0,0|2,0,0]=4 12208 B15R0.4374 CCCCCCCC(=O)C(C)C(=O)NCC 1458a_100000211969_100000230173 [0,2,0,0,0,0|1,0,1]=4 12209 B15R0.4374 CCCCCCCC(=O)C(C)C(=O)OCC 1458a_100000211969_100011216346 [0,2,0,0,0,0|0,0,1]=3 12210 B15R0.4374 CCCCCCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210614 [0,2,0,0,0,0|0,0,1]=3 12211 B15R0.4374 CCCCCCCC(=O)C(F)C(=O)OCC 1458a_100000211969_100000760018 [0,2,0,0,0,0|0,0,1]=3 12212 B15R0.4374 CCCCCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011218727 [0,2,0,0,0,0|1,0,1]=4 12213 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)OCC 11a_100000228206_100014798877 [0,2,0,0,0,0|1,0,1]=4 12214 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)OCC 1626a_100000228206_100014798877 [0,2,0,0,0,0|1,0,1]=4 12215 B15R0.4374 CCCCCCCN(C)C(=O)C(=O)OCC 240690a_100000228206_100014798877 [0,2,0,0,0,0|1,0,1]=4 12216 B15R0.4374 CCCCCCCN(C)C(C)C(=O)NCC 2230a_100000228206_100000230173 [0,2,0,0,0,0|2,0,0]=4 12217 B15R0.4374 CCCCCCCN(C)C(C)C(=O)NCC 269982a_100000228206_100000230173 [0,2,0,0,0,0|2,0,0]=4 12218 B15R0.4374 CCCCCCCN(C)C(C)C(=O)OCC 2230a_100000228206_100011215307 [0,2,0,0,0,0|1,0,0]=3 12219 B15R0.4374 CCCCCCCN(C)C(C)C(=O)OCC 269982a_100000228206_100011216346 [0,2,0,0,0,0|1,0,0]=3 12220 B15R0.4374 CCCCCCCN(C)C(F)C(=O)OCC 2230a_100000228206_100000760018 [0,2,0,0,0,0|1,0,0]=3 12221 B15R0.4374 CCCCCCCN(C)C(F)C(=O)OCC 269982a_100000228206_100000760018 [0,2,0,0,0,0|1,0,0]=3 12222 B15R0.4374 CCCCCCNC(=O)C(C)C(=O)OCC 11a_100000210581_100132301724 [0,2,0,0,0,0|1,0,1]=4 12223 B15R0.4374 CCCCCCNC(=O)C(C)C(=O)OCC 1626a_100000210581_100132301724 [0,2,0,0,0,0|1,0,1]=4 12224 B15R0.4374 CCCCCCNC(=O)C(C)C(=O)OCC 240690a_100000210581_100132301724 [0,2,0,0,0,0|1,0,1]=4 12225 B15R0.4374 CCCCCCNC(=O)C(C)C(=O)OCC 527a_100000210581_100132301724 [0,2,0,0,0,0|1,0,1]=4 12226 B15R0.4374 CCCCCCNC(C)C(=O)C(=O)OCC 2230a_100000210581_100010256902 [0,2,0,0,0,0|1,0,1]=4 12227 B15R0.4374 CCCCCCSC(C)C(=O)C(=O)OCC 62a_100000210314_100010256902 [0,2,0,0,0,0|1,0,1]=4 12228 B15R0.4374 CCCCCCSC(C)C(=O)C(=O)OCC 62a_100010256902_100000210757 [0,2,0,0,0,0|1,0,1]=4 12229 B15R0.4374 CCCCOCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000743108 [0,2,0,0,0,0|1,0,1]=4 12230 B15R0.4374 CCOC(=O)C(C)C(=O)CCCCCCF 1458a_100132301724_100015922095 [0,2,0,0,0,0|1,0,1]=4 12231 B15R0.4374 CCOC(=O)C(C)C(=O)CCCCCCO 1458a_100011996774_100011216346 [0,2,0,0,0,0|1,0,1]=4 12232 B15R0.4374 CCOC(=O)C(C)C(=O)CCCCCCO 1458a_100132301724_100000766143 [0,2,0,0,0,0|1,0,1]=4 12233 B15R0.4374 CCOC(=O)C(C)C(=O)CCCCCOC 1458a_100011935119_100011216346 [0,2,0,0,0,0|1,0,1]=4 12234 B15R0.4374 CCOC(=O)C(F)C(=O)CCCCCCO 1458a_100011996774_100000760018 [0,2,0,0,0,0|1,0,1]=4 12235 B15R0.4374 CCOC(=O)C(F)C(=O)CCCCCOC 1458a_100011935119_100000760018 [0,2,0,0,0,0|1,0,1]=4 12236 B15R0.4384 CCCCCCCC(=O)CC(=O)N(C)CC 1458a_100000211969_100011894763 [0,2,0,0,0,0|1,0,1]=4 12237 B15R0.4384 CCCCCCCC(O)CC(=O)C(C)CC 1458a_200011667753_100000758301 [0,2,0,0,0,0|1,0,0]=3 12238 B15R0.4384 CCCCCCCC(O)CC(=O)N(C)CC 1626a_100000225621_200011667753 [0,2,0,0,0,0|1,0,0]=3 12239 B15R0.4384 CCCCCCCC(O)CC(=O)N(C)CC 240690a_100000225621_200011667753 [0,2,0,0,0,0|1,0,0]=3 12240 B15R0.4384 CCCCCCCN(C)CC(=O)N(C)CC 2230a_100000228206_100000738999 [0,2,0,0,0,0|2,0,0]=4 12241 B15R0.4384 CCCCCCCN(C)CC(=O)N(C)CC 269982a_100000228206_100000738999 [0,2,0,0,0,0|2,0,0]=4 12242 B15R0.4416 CCCCCCNS(=O)(=O)CC(=O)OCC 270084a_100000210581_100000738689 [0,2,0,0,0,0|2,0,0]=4 12243 B15R0.4416 CCCCCCNS(=O)(=O)CC(=O)OCC 274078a_100000210581_100000738689 [0,2,0,0,0,0|2,0,0]=4 12244 B15R0.4416 CCCCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100000210314 [0,2,0,0,0,0|1,0,0]=3 12245 B15R0.4416 CCCOCCOC(C)(C)CC(=O)OCC 7a_100000765344_100011215938 [0,2,0,0,0,0|2,0,0]=4 12246 B15R0.4416 CCOC(=O)CC(C)(C)OCCCCCF 7a_100000765344_100000729378 [0,2,0,0,0,0|2,0,0]=4 12247 B15R0.4416 CCOC(=O)CC(C)(C)OCCCCCO 7a_100000765344_100000746330 [0,2,0,0,0,0|2,0,0]=4 12248 B15R0.4416 CCOC(=O)CC(C)(C)OCCCCOC 7a_100000765344_100000730899 [0,2,0,0,0,0|2,0,0]=4 12249 B15R0.4416 CCOCCCOC(C)(C)CC(=O)OCC 7a_100000765344_100012232248 [0,2,0,0,0,0|2,0,0]=4 12250 B15R0.5 C=C(COCC(C)CCCC)C(=O)OCC 34a_100011995851_100000755967 [0,2,0,0,0,0|1,0,1]=4 12251 B15R0.5 C=C(COCC(C)CCCC)C(=O)OCC 7a_100011995851_100000755967 [0,2,0,0,0,0|1,0,1]=4 12252 B15R0.5 C=C(COC[C@@H](N)CCCC)C(=O)OCC 34a_100011934283_100000755967 [0,2,0,0,0,0|1,0,1]=4 12253 B15R0.197 C=C(CN(C)CCCCCC)C(=O)OCC 269982a_106256046315_100000755967 [0,2,0,0,0,0|1,0,1]=4 12254 B15R0.197 CCCCCCC(=O)N[C@H](C)C(=O)OCC 188690a_100016988386_100102632555 [0,2,0,0,0,0|1,0,1]=4 12255 B15R0.197 CCCCCCC(C)NC(=O)C(=O)OCC 11a_100000210919_100014798877 [0,2,0,0,0,0|1,0,1]=4 12256 B15R0.197 CCCCCCC(C)NC(=O)C(=O)OCC 1626a_100000210919_100014798877 [0,2,0,0,0,0|1,0,1]=4 12257 B15R0.197 CCCCCCC(C)NC(=O)C(=O)OCC 240690a_100000210919_100014798877 [0,2,0,0,0,0|1,0,1]=4 12258 B15R0.197 CCCCCCC(C)NC(C)C(=O)NCC 2230a_100000210919_100000230173 [0,2,0,0,0,0|2,0,0]=4 12259 B15R0.197 CCCCCCC(C)NC(C)C(=O)NCC 2230a_100000736553_100011215978 [0,2,0,0,0,0|2,0,0]=4 12260 B15R0.197 CCCCCCC(C)NC(C)C(=O)NCC 270004a_100000736553_100000210826 [0,2,0,0,0,0|2,0,0]=4 12261 B15R0.197 CCCCCCC(C)NC(C)C(=O)NCC 34a_100000210919_100000230173 [0,2,0,0,0,0|2,0,0]=4 12262 B15R0.197 CCCCCCC(C)NC(C)C(=O)NCC 34a_100000736553_100011215978 [0,2,0,0,0,0|2,0,0]=4 12263 B15R0.197 CCCCCCC(C)NC(C)C(=O)OCC 2230a_100000210919_100011215307 [0,2,0,0,0,0|1,0,0]=3 12264 B15R0.197 CCCCCCC(C)NC(C)C(=O)OCC 34a_100000210919_100011216346 [0,2,0,0,0,0|1,0,0]=3 12265 B15R0.197 CCCCCCC(C)NC(F)C(=O)OCC 2230a_100000210919_100000760018 [0,2,0,0,0,0|1,0,0]=3 12266 B15R0.197 CCCCCCC(C)NC(F)C(=O)OCC 34a_100000210919_100000760018 [0,2,0,0,0,0|1,0,0]=3 12267 B15R0.197 CCCCCCC(C)N[C@@H](C)C(=O)SCC 2230a_100103168634_100011215978 [0,2,0,0,0,0|1,1,0]=4 12268 B15R0.197 CCCCCCC(C)OC(C)C(=O)NCC 34a_100000210265_100000230173 [0,2,0,0,0,0|2,0,0]=4 12269 B15R0.197 CCCCCCC(C)OC(C)C(=O)NCC 7a_100000210265_100000230173 [0,2,0,0,0,0|2,0,0]=4 12270 B15R0.197 CCCCCCC(C)OC(C)C(=O)OCC 34a_100000210265_100011216346 [0,2,0,0,0,0|1,0,0]=3 12271 B15R0.197 CCCCCCC(C)OC(C)C(=O)OCC 7a_100000210265_100011216346 [0,2,0,0,0,0|1,0,0]=3 12272 B15R0.197 CCCCCCC(C)OC(F)C(=O)OCC 34a_100000210265_100000760018 [0,2,0,0,0,0|1,0,0]=3 12273 B15R0.197 CCCCCCC(C)OC(F)C(=O)OCC 7a_100000210265_100000040065 [0,2,0,0,0,0|1,0,0]=3 12274 B15R0.197 CCCCCCC(C)O[C@@H](C)C(=O)OCC 7a_100000751109_100011215978 [0,2,0,0,0,0|1,0,0]=3 12275 B15R0.197 CCCCCCC(C)SC(C)C(=O)NCC 62a_100000230173_100011215978 [0,2,0,0,0,0|2,0,0]=4 12276 B15R0.197 CCCCCCC(C)SC(C)C(=O)NCC 62a_100011215978_100000230173 [0,2,0,0,0,0|2,0,0]=4 12277 B15R0.197 CCCCCCC(C)SC(C)C(=O)OCC 62a_100011215978_100011216346 [0,2,0,0,0,0|1,0,0]=3 12278 B15R0.197 CCCCCCC(C)SC(C)C(=O)OCC 62a_100011216346_100011215978 [0,2,0,0,0,0|1,0,0]=3 12279 B15R0.197 CCCCCCC(C)SC(F)C(=O)OCC 62a_100000760018_100011215978 [0,2,0,0,0,0|1,0,0]=3 12280 B15R0.197 CCCCCCC(C)SC(F)C(=O)OCC 62a_100011215978_100000760018 [0,2,0,0,0,0|1,0,0]=3 12281 B15R0.197 CCCCCCN(C)CC(=O)C(=O)OCC 269982a_106256046315_100000211299 [0,2,0,0,0,0|1,0,1]=4 12282 B15R0.197 CCCCOCC(C)OC(C)C(=O)OCC 34a_100011217071_100011216346 [0,2,0,0,0,0|2,0,0]=4 12283 B15R0.197 CCCCOCC(C)OC(C)C(=O)OCC 7a_100011217071_100011216346 [0,2,0,0,0,0|2,0,0]=4 12284 B15R0.197 CCCCOCC(C)OC(F)C(=O)OCC 34a_100011217071_100000760018 [0,2,0,0,0,0|2,0,0]=4 12285 B15R0.197 CCCCOCC(C)OC(F)C(=O)OCC 7a_100011217071_100000040065 [0,2,0,0,0,0|2,0,0]=4 12286 B15R0.310 C=C(COCCCCC(C)C)C(=O)OCC 34a_100011214890_100000755967 [0,2,0,0,0,0|1,0,1]=4 12287 B15R0.310 C=C(COCCCCC(C)C)C(=O)OCC 7a_100011214890_100000755967 [0,2,0,0,0,0|1,0,1]=4 12288 B15R0.310 C=C(CSCCCCC(C)C)C(=O)OCC 62a_100000755967_100011216152 [0,2,0,0,0,0|1,0,1]=4 12289 B15R0.310 C=C(CSCCCCC(C)C)C(=O)OCC 62a_100011216152_100000755967 [0,2,0,0,0,0|1,0,1]=4 12290 B15R0.310 CCNC(=O)C(C)NCCCCCC(C)C 2230a_100000736553_100000210682 [0,2,0,0,0,0|2,0,0]=4 12291 B15R0.310 CCNC(=O)C(C)NCCCCCC(C)C 2230a_100011290863_100000230173 [0,2,0,0,0,0|2,0,0]=4 12292 B15R0.310 CCNC(=O)C(C)NCCCCCC(C)C 34a_100000736553_100000210682 [0,2,0,0,0,0|2,0,0]=4 12293 B15R0.310 CCNC(=O)C(C)NCCCCCC(C)C 34a_100011290863_100000230173 [0,2,0,0,0,0|2,0,0]=4 12294 B15R0.310 CCNC(=O)C(C)OCCCCCC(C)C 34a_100011995859_100000230173 [0,2,0,0,0,0|2,0,0]=4 12295 B15R0.310 CCNC(=O)C(C)OCCCCCC(C)C 7a_100011995859_100000230173 [0,2,0,0,0,0|2,0,0]=4 12296 B15R0.310 CCNC(=O)C(C)SCCCCCC(C)C 62a_100000210682_100000230173 [0,2,0,0,0,0|2,0,0]=4 12297 B15R0.310 CCNC(=O)C(C)SCCCCCC(C)C 62a_100000230173_100000210682 [0,2,0,0,0,0|2,0,0]=4 12298 B15R0.310 CCOC(=O)C(=O)CCCCCNC(C)C 2230a_100138425928_100000068741 [0,2,0,0,0,0|1,0,1]=4 12299 B15R0.310 CCOC(=O)C(=O)CCCCCSC(C)C 62a_100000210206_100000068741 [0,2,0,0,0,0|1,0,1]=4 12300 B15R0.310 CCOC(=O)C(=O)CSCCCCC(C)C 62a_100000211299_100011216152 [0,2,0,0,0,0|1,0,1]=4 12301 B15R0.310 CCOC(=O)C(=O)CSCCCCC(C)C 62a_100011216152_100000211299 [0,2,0,0,0,0|1,0,1]=4 12302 B15R0.310 CCOC(=O)C(=O)NCCCCCC(C)C 1626a_100011290863_100014798877 [0,2,0,0,0,0|1,0,1]=4 12303 B15R0.310 CCOC(=O)C(=O)NCCCCCC(C)C 240690a_100011290863_100014798877 [0,2,0,0,0,0|1,0,1]=4 12304 B15R0.310 CCOC(=O)C(C)NCCCCCC(C)C 2230a_100011290863_100011215307 [0,2,0,0,0,0|1,0,0]=3 12305 B15R0.310 CCOC(=O)C(C)NCCCCCC(C)C 34a_100011290863_100011216346 [0,2,0,0,0,0|1,0,0]=3 12306 B15R0.310 CCOC(=O)C(C)NCCCOCC(C)C 2230a_100000205972_100011215307 [0,2,0,0,0,0|2,0,0]=4 12307 B15R0.310 CCOC(=O)C(C)NCCCOCC(C)C 34a_100000205972_100011216346 [0,2,0,0,0,0|2,0,0]=4 12308 B15R0.310 CCOC(=O)C(C)OCCCCCC(C)C 34a_100011995859_100011216346 [0,2,0,0,0,0|1,0,0]=3 12309 B15R0.310 CCOC(=O)C(C)OCCCCCC(C)C 7a_100011995859_100011216346 [0,2,0,0,0,0|1,0,0]=3 12310 B15R0.310 CCOC(=O)C(C)OCCCCNC(C)C 34a_100011521146_100011216346 [0,2,0,0,0,0|2,0,0]=4 12311 B15R0.310 CCOC(=O)C(C)SCCCCCC(C)C 62a_100000210682_100011216346 [0,2,0,0,0,0|1,0,0]=3 12312 B15R0.310 CCOC(=O)C(C)SCCCCCC(C)C 62a_100011216346_100000210682 [0,2,0,0,0,0|1,0,0]=3 12313 B15R0.310 CCOC(=O)C(F)NCCCCCC(C)C 2230a_100011290863_100000760018 [0,2,0,0,0,0|1,0,0]=3 12314 B15R0.310 CCOC(=O)C(F)NCCCCCC(C)C 34a_100011290863_100000760018 [0,2,0,0,0,0|1,0,0]=3 12315 B15R0.310 CCOC(=O)C(F)NCCCOCC(C)C 2230a_100000205972_100000760018 [0,2,0,0,0,0|2,0,0]=4 12316 B15R0.310 CCOC(=O)C(F)NCCCOCC(C)C 34a_100000205972_100000760018 [0,2,0,0,0,0|2,0,0]=4 12317 B15R0.310 CCOC(=O)C(F)OCCCCCC(C)C 34a_100011995859_100000760018 [0,2,0,0,0,0|1,0,0]=3 12318 B15R0.310 CCOC(=O)C(F)OCCCCCC(C)C 7a_100011995859_100000040065 [0,2,0,0,0,0|1,0,0]=3 12319 B15R0.310 CCOC(=O)C(F)OCCCCNC(C)C 34a_100011521146_100000760018 [0,2,0,0,0,0|2,0,0]=4 12320 B15R0.310 CCOC(=O)C(F)SCCCCCC(C)C 62a_100000210682_100000760018 [0,2,0,0,0,0|1,0,0]=3 12321 B15R0.310 CCOC(=O)C(F)SCCCCCC(C)C 62a_100000760018_100000210682 [0,2,0,0,0,0|1,0,0]=3 12322 B15R0.310 CCOC(=O)[C@H](C)OCCCCCC(C)C 7a_100000751109_100000210682 [0,2,0,0,0,0|1,0,0]=3 12323 B15R0.310 CCSC(=O)[C@H](C)NCCCCCC(C)C 2230a_100103168634_100000210682 [0,2,0,0,0,0|1,1,0]=4 12324 B15R0.1677 CCCCCCCCC(O)C(=O)C(C)CC 1458a_200011995895_100000758301 [0,2,0,0,0,0|1,0,0]=3 12325 B15R0.1677 CCCCCCCCC(O)C(=O)N(C)CC 240690a_100000225621_200011995895 [0,2,0,0,0,0|1,0,0]=3 12326 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)CC 11a_100000207567_100011192722 [0,2,0,0,0,0|2,0,0]=4 12327 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)CC 1626a_100000207567_100011192722 [0,2,0,0,0,0|2,0,0]=4 12328 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)CC 240690a_100000207567_100011192722 [0,2,0,0,0,0|2,0,0]=4 12329 B15R0.1677 CCCCCCCCN(C)C(=O)C(C)CC 527a_100000207567_100011192722 [0,2,0,0,0,0|2,0,0]=4 12330 B15R0.1677 CCCCCCCCN(C)C(=O)C(O)CC 240690a_100000207567_100011196387 [0,2,0,0,0,0|2,0,0]=4 12331 B15R0.1677 CCCCCCCNC(C)C(=O)N(C)CC 2230a_100000229938_200012002205 [0,2,0,0,0,0|2,0,0]=4 12332 B15R0.1677 CCCCCCCOC(C)C(=O)N(C)CC 34a_100000210272_200012002205 [0,2,0,0,0,0|2,0,0]=4 12333 B15R0.1677 CCCCCCCOC(C)C(=O)N(C)CC 7a_100000210272_200012002205 [0,2,0,0,0,0|2,0,0]=4 12334 B15R0.1677 CCCCCCCSC(C)C(=O)N(C)CC 62a_100000210614_200012002205 [0,2,0,0,0,0|2,0,0]=4 12335 B15R0.1677 CCCCCCCSC(C)C(=O)N(C)CC 62a_200012002205_100000210316 [0,2,0,0,0,0|2,0,0]=4 12336 B15R0.1995 CCCCCCCNC(CC)C(=O)OCC 2230a_100000229938_100000212269 [0,2,0,0,0,0|1,0,0]=3 12337 B15R0.1995 CCCCCCCOC(CC)C(=O)OCC 34a_100000210272_100000212269 [0,2,0,0,0,0|1,0,0]=3 12338 B15R0.1995 CCCCCCCOC(CC)C(=O)OCC 34a_100011216719_100000210614 [0,2,0,0,0,0|1,0,0]=3 12339 B15R0.1995 CCCCCCCOC(CC)C(=O)OCC 7a_100000210272_100000212269 [0,2,0,0,0,0|1,0,0]=3 12340 B15R0.1995 CCCCCCCOC(CC)C(=O)OCC 7a_100011216719_100000210614 [0,2,0,0,0,0|1,0,0]=3 12341 B15R0.1995 CCCCCCCOC(SC)C(=O)OCC 34a_100000210272_100009893047 [0,2,0,0,0,0|1,0,0]=3 12342 B15R0.1995 CCCCCCCSC(C=O)C(=O)OCC 62a_100000053139_100000210316 [0,2,0,0,0,0|1,0,0]=3 12343 B15R0.1995 CCCCCCCSC(C=O)C(=O)OCC 62a_100000210614_100000053139 [0,2,0,0,0,0|1,0,0]=3 12344 B15R0.1995 CCCCCCCSC(CC)C(=O)OCC 62a_100000210614_100000212269 [0,2,0,0,0,0|1,0,0]=3 12345 B15R0.1995 CCCCCCCSC(CC)C(=O)OCC 62a_100000212269_100000210316 [0,2,0,0,0,0|1,0,0]=3 12346 B15R0.1995 CCCCCCCSC(SC)C(=O)OCC 62a_100000210614_100009893047 [0,2,0,0,0,0|1,0,0]=3 12347 B15R0.1995 CCCCCCCSC(SC)C(=O)OCC 62a_100009893047_100000210316 [0,2,0,0,0,0|1,0,0]=3 12348 B15R0.1995 CCCCOCCOC(CC)C(=O)OCC 34a_100000210238_100000212269 [0,2,0,0,0,0|2,0,0]=4 12349 B15R0.1995 CCCCOCCOC(CC)C(=O)OCC 34a_100011216719_100000743108 [0,2,0,0,0,0|2,0,0]=4 12350 B15R0.1995 CCCCOCCOC(CC)C(=O)OCC 7a_100000210238_100000212269 [0,2,0,0,0,0|2,0,0]=4 12351 B15R0.1995 CCCCOCCOC(CC)C(=O)OCC 7a_100011216719_100000743108 [0,2,0,0,0,0|2,0,0]=4 12352 B15R0.1995 CCCCOCCOC(SC)C(=O)OCC 34a_100000210238_100009893047 [0,2,0,0,0,0|2,0,0]=4 12353 B15R0.1995 CCCCOCCSC(C=O)C(=O)OCC 62a_100000053139_100000743108 [0,2,0,0,0,0|2,0,0]=4 12354 B15R0.1995 CCCCOCCSC(C=O)C(=O)OCC 62a_100000743108_100000053139 [0,2,0,0,0,0|2,0,0]=4 12355 B15R0.1995 CCCCOCCSC(CC)C(=O)OCC 62a_100000212269_100000743108 [0,2,0,0,0,0|2,0,0]=4 12356 B15R0.1995 CCCCOCCSC(CC)C(=O)OCC 62a_100000743108_100000212269 [0,2,0,0,0,0|2,0,0]=4 12357 B15R0.1995 CCCCOCCSC(SC)C(=O)OCC 62a_100000743108_100009893047 [0,2,0,0,0,0|2,0,0]=4 12358 B15R0.1995 CCCCOCCSC(SC)C(=O)OCC 62a_100009893047_100000743108 [0,2,0,0,0,0|2,0,0]=4 12359 B15R0.1995 CCCCSCCNC(CC)C(=O)OCC 2230a_100025743550_100000212269 [0,2,0,0,0,0|2,0,0]=4 12360 B15R0.1995 CCCCSCCOC(CC)C(=O)OCC 34a_200000230436_100000212269 [0,2,0,0,0,0|2,0,0]=4 12361 B15R0.1995 CCCCSCCOC(CC)C(=O)OCC 7a_200000230436_100000212269 [0,2,0,0,0,0|2,0,0]=4 12362 B15R0.1995 CCCCSCCOC(SC)C(=O)OCC 34a_200000230436_100009893047 [0,2,0,0,0,0|2,0,0]=4 12363 B15R0.1995 CCCOCCCNC(CC)C(=O)OCC 2230a_100011217757_100000212269 [0,2,0,0,0,0|2,0,0]=4 12364 B15R0.1995 CCCOCCCNC(CC)C(=O)OCC 34a_100011217757_100000212269 [0,2,0,0,0,0|2,0,0]=4 12365 B15R0.1995 CCCOCCCNC(SC)C(=O)OCC 34a_100011217757_100009893047 [0,2,0,0,0,0|2,0,0]=4 12366 B15R0.1995 CCOC(=O)C(C=O)SCCCCCCF 62a_100000053139_100015922095 [0,2,0,0,0,0|2,0,0]=4 12367 B15R0.1995 CCOC(=O)C(C=O)SCCCCCCF 62a_100015922095_100000053139 [0,2,0,0,0,0|2,0,0]=4 12368 B15R0.1995 CCOC(=O)C(C=O)SCCCCCCO 62a_100000053139_100000766143 [0,2,0,0,0,0|2,0,0]=4 12369 B15R0.1995 CCOC(=O)C(C=O)SCCCCCCO 62a_100000766143_100000053139 [0,2,0,0,0,0|2,0,0]=4 12370 B15R0.1995 CCOC(=O)C(CC)NCCCCCCO 2230a_100000686447_100000212269 [0,2,0,0,0,0|2,0,0]=4 12371 B15R0.1995 CCOC(=O)C(CC)NCCCCCCO 34a_100000686447_100000212269 [0,2,0,0,0,0|2,0,0]=4 12372 B15R0.1995 CCOC(=O)C(CC)NCCCCCOC 2230a_100000747528_100000212269 [0,2,0,0,0,0|2,0,0]=4 12373 B15R0.1995 CCOC(=O)C(CC)NCCCCCOC 34a_100000747528_100000212269 [0,2,0,0,0,0|2,0,0]=4 12374 B15R0.1995 CCOC(=O)C(CC)OCCCCCCBr 34a_100011215345_100000212269 [0,2,0,0,0,0|2,0,0]=4 12375 B15R0.1995 CCOC(=O)C(CC)OCCCCCCBr 7a_100011215345_100000212269 [0,2,0,0,0,0|2,0,0]=4 12376 B15R0.1995 CCOC(=O)C(CC)OCCCCCCCl 34a_100000766143_100000212269 [0,2,0,0,0,0|2,0,0]=4 12377 B15R0.1995 CCOC(=O)C(CC)OCCCCCCCl 7a_100000766143_100000212269 [0,2,0,0,0,0|2,0,0]=4 12378 B15R0.1995 CCOC(=O)C(CC)OCCCCCCF 34a_100000732779_100000212269 [0,2,0,0,0,0|2,0,0]=4 12379 B15R0.1995 CCOC(=O)C(CC)OCCCCCCF 34a_100011216719_100015922095 [0,2,0,0,0,0|2,0,0]=4 12380 B15R0.1995 CCOC(=O)C(CC)OCCCCCCF 7a_100000732779_100000212269 [0,2,0,0,0,0|2,0,0]=4 12381 B15R0.1995 CCOC(=O)C(CC)OCCCCCCF 7a_100011216719_100015922095 [0,2,0,0,0,0|2,0,0]=4 12382 B15R0.1995 CCOC(=O)C(CC)OCCCCCCN 34a_100000686447_100000212269 [0,2,0,0,0,0|2,0,0]=4 12383 B15R0.1995 CCOC(=O)C(CC)OCCCCCCO 34a_100011216719_100000766143 [0,2,0,0,0,0|2,0,0]=4 12384 B15R0.1995 CCOC(=O)C(CC)OCCCCCCO 7a_100011216719_100000766143 [0,2,0,0,0,0|2,0,0]=4 12385 B15R0.1995 CCOC(=O)C(CC)OCCCCCNC 34a_100000722520_100000212269 [0,2,0,0,0,0|2,0,0]=4 12386 B15R0.1995 CCOC(=O)C(CC)SCCCCCCF 62a_100000212269_100015922095 [0,2,0,0,0,0|2,0,0]=4 12387 B15R0.1995 CCOC(=O)C(CC)SCCCCCCF 62a_100015922095_100000212269 [0,2,0,0,0,0|2,0,0]=4 12388 B15R0.1995 CCOC(=O)C(CC)SCCCCCCO 62a_100000212269_100000766143 [0,2,0,0,0,0|2,0,0]=4 12389 B15R0.1995 CCOC(=O)C(CC)SCCCCCCO 62a_100000766143_100000212269 [0,2,0,0,0,0|2,0,0]=4 12390 B15R0.1995 CCOC(=O)C(NCCCCCCO)SC 34a_100000686447_100009893047 [0,2,0,0,0,0|2,0,0]=4 12391 B15R0.1995 CCOC(=O)C(NCCCCCOC)SC 34a_100000747528_100009893047 [0,2,0,0,0,0|2,0,0]=4 12392 B15R0.1995 CCOC(=O)C(OCCCCCCBr)SC 34a_100011215345_100009893047 [0,2,0,0,0,0|2,0,0]=4 12393 B15R0.1995 CCOC(=O)C(OCCCCCCCl)SC 34a_100000766143_100009893047 [0,2,0,0,0,0|2,0,0]=4 12394 B15R0.1995 CCOC(=O)C(OCCCCCCF)SC 34a_100000732779_100009893047 [0,2,0,0,0,0|2,0,0]=4 12395 B15R0.1995 CCOC(=O)C(OCCCCCCN)SC 34a_100000686447_100009893047 [0,2,0,0,0,0|2,0,0]=4 12396 B15R0.1995 CCOC(=O)C(OCCCCCNC)SC 34a_100000722520_100009893047 [0,2,0,0,0,0|2,0,0]=4 12397 B15R0.1995 CCOC(=O)C(SC)SCCCCCCF 62a_100009893047_100015922095 [0,2,0,0,0,0|2,0,0]=4 12398 B15R0.1995 CCOC(=O)C(SC)SCCCCCCF 62a_100015922095_100009893047 [0,2,0,0,0,0|2,0,0]=4 12399 B15R0.1995 CCOC(=O)C(SC)SCCCCCCO 62a_100000766143_100009893047 [0,2,0,0,0,0|2,0,0]=4 12400 B15R0.1995 CCOC(=O)C(SC)SCCCCCCO 62a_100009893047_100000766143 [0,2,0,0,0,0|2,0,0]=4 12401 B15R0.2406 C#CCCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000753159 [0,2,0,0,0,0|1,0,1]=4 12402 B15R0.2406 C#CCNC(=O)C(O)CCCCCCCC 240690a_100000212058_200011995895 [0,2,0,0,0,0|1,0,1]=4 12403 B15R0.2406 C/C=C/CC(=O)C(O)CCCCCCCC 1458a_200011995895_100102629194 [0,2,0,0,0,0|1,0,1]=4 12404 B15R0.2406 C=CCCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000754431 [0,2,0,0,0,0|1,0,1]=4 12405 B15R0.2406 C=CCNC(=O)C(O)CCCCCCCC 240690a_100020586998_200011995895 [0,2,0,0,0,0|1,0,1]=4 12406 B15R0.2406 CC#CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000748600 [0,2,0,0,0,0|1,0,1]=4 12407 B15R0.2406 CC=CCC(=O)C(O)CCCCCCCC 1458a_200011995895_100000070051 [0,2,0,0,0,0|1,0,1]=4 12408 B15R0.2406 CCC=CC(=O)N(C)CCCCCCCC 11a_100000207567_100000212282 [0,2,0,0,0,0|2,0,0]=4 12409 B15R0.2406 CCC=CC(=O)N(C)CCCCCCCC 1626a_100000207567_100000212282 [0,2,0,0,0,0|2,0,0]=4 12410 B15R0.2406 CCC=CC(=O)N(C)CCCCCCCC 240690a_100000207567_100000212282 [0,2,0,0,0,0|2,0,0]=4 12411 B15R0.2406 CCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210759 [0,2,0,0,0,0|1,0,1]=4 12412 B15R0.2406 CCCCCCCCC(O)C(=O)CCC#N 1458a_200011995895_100011215226 [0,2,0,0,0,0|1,0,1]=4 12413 B15R0.2406 CCCCCCCCC(O)C(=O)CCCC 1458a_200011995895_100000210211 [0,2,0,0,0,0|1,0,0]=3 12414 B15R0.2406 CCCCCCCCC(O)C(=O)CCCF 1458a_200011995895_100011934791 [0,2,0,0,0,0|1,0,0]=3 12415 B15R0.2406 CCCCCCCCC(O)C(=O)CCCO 1458a_200011995895_100011215043 [0,2,0,0,0,0|1,0,0]=3 12416 B15R0.2406 CCCCCCCCC(O)C(=O)CCOC 1458a_200011995895_100000233755 [0,2,0,0,0,0|1,0,0]=3 12417 B15R0.2406 CCCCCCCCC(O)C(=O)CCSC 1458a_200011995895_100000751147 [0,2,0,0,0,0|1,0,0]=3 12418 B15R0.2406 CCCCCCCCC(O)C(=O)NCCC 240690a_100020643023_200011995895 [0,2,0,0,0,0|1,0,0]=3 12419 B15R0.2406 CCCCCCCCC(O)C(=O)NCCF 240690a_100000724931_200011995895 [0,2,0,0,0,0|1,0,0]=3 12420 B15R0.2406 CCCCCCCCC(O)C(=O)NCCO 240690a_100000210304_200011995895 [0,2,0,0,0,0|1,0,0]=3 12421 B15R0.2406 CCCCCCCCC(O)C(=O)NNCC 22a_100000756455_200011995895 [0,2,0,0,0,0|1,0,0]=3 12422 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 11a_100000207567_100000210183 [0,2,0,0,0,0|2,0,0]=4 12423 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 1626a_100000207567_100000210183 [0,2,0,0,0,0|2,0,0]=4 12424 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 240690a_100000207567_100000210183 [0,2,0,0,0,0|2,0,0]=4 12425 B15R0.2406 CCCCCCCCN(C)C(=O)CCCC 527a_100000207567_100000210183 [0,2,0,0,0,0|2,0,0]=4 12426 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 11a_100000207567_100000749529 [0,2,0,0,0,0|2,0,0]=4 12427 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 1626a_100000207567_100000749529 [0,2,0,0,0,0|2,0,0]=4 12428 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 240690a_100000207567_100000749529 [0,2,0,0,0,0|2,0,0]=4 12429 B15R0.2406 CCCCCCCCN(C)C(=O)CCOC 527a_100000207567_100000749529 [0,2,0,0,0,0|2,0,0]=4 12430 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 11a_100000207567_100000174002 [0,2,0,0,0,0|2,0,0]=4 12431 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 1626a_100000207567_100000174002 [0,2,0,0,0,0|2,0,0]=4 12432 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 240690a_100000207567_100000174002 [0,2,0,0,0,0|2,0,0]=4 12433 B15R0.2406 CCCCCCCCN(C)C(=O)CCSC 527a_100000207567_100000174002 [0,2,0,0,0,0|2,0,0]=4 12434 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 11a_100000207567_100000211967 [0,2,0,0,0,0|1,0,0]=3 12435 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 1626a_100000207567_100000211967 [0,2,0,0,0,0|1,0,0]=3 12436 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 240690a_100000207567_100000211967 [0,2,0,0,0,0|1,0,0]=3 12437 B15R0.2406 CCCCCCCCN(C)C(=O)COCC 527a_100000207567_100000211967 [0,2,0,0,0,0|1,0,0]=3 12438 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 11a_100000207567_100000230394 [0,2,0,0,0,0|1,1,0]=4 12439 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 1626a_100000207567_100000230394 [0,2,0,0,0,0|1,1,0]=4 12440 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 240690a_100000207567_100000230394 [0,2,0,0,0,0|1,1,0]=4 12441 B15R0.2406 CCCCCCCCN(C)C(=O)CSCC 527a_100000207567_100000230394 [0,2,0,0,0,0|1,1,0]=4 12442 B15R0.2406 CCCCCCCCN(C)C(=O)NCCC 2708a_100020643023_100000207567 [0,2,0,0,0,0|2,0,0]=4 12443 B15R0.2406 CCCCCCCCN(C)C(=O)NCCC 273464a_100020643023_100000207567 [0,2,0,0,0,0|2,0,0]=4 12444 B15R0.2406 CCCCCCCCN(C)C(=O)NCCF 273464a_100000724931_100000207567 [0,2,0,0,0,0|2,0,0]=4 12445 B15R0.2406 CCCCCCCCN(C)C(=O)NCCO 273464a_100000210304_100000207567 [0,2,0,0,0,0|2,0,0]=4 12446 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 2230a_100000229938_100000230305 [0,2,0,0,0,0|2,0,0]=4 12447 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 2230a_100025744714_100000210681 [0,2,0,0,0,0|2,0,0]=4 12448 B15R0.2406 CCCCCCCNC(C)C(=O)NCCC 34a_100025744714_100000210614 [0,2,0,0,0,0|2,0,0]=4 12449 B15R0.2406 CCCCCCCNC(C)C(=O)OCCC 2230a_100000229938_100000760410 [0,2,0,0,0,0|1,0,0]=3 12450 B15R0.2406 CCCCCCCOC(C)C(=O)NCCC 34a_100000210272_100000230305 [0,2,0,0,0,0|2,0,0]=4 12451 B15R0.2406 CCCCCCCOC(C)C(=O)NCCC 7a_100000210272_100000230305 [0,2,0,0,0,0|2,0,0]=4 12452 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 34a_100000037348_100000210614 [0,2,0,0,0,0|1,0,0]=3 12453 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 34a_100000210272_100000760410 [0,2,0,0,0,0|1,0,0]=3 12454 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 7a_100000037348_100000210614 [0,2,0,0,0,0|1,0,0]=3 12455 B15R0.2406 CCCCCCCOC(C)C(=O)OCCC 7a_100000210272_100000760410 [0,2,0,0,0,0|1,0,0]=3 12456 B15R0.2406 CCCCCCCSC(C)C(=O)NCCC 62a_100000210614_100000230305 [0,2,0,0,0,0|2,0,0]=4 12457 B15R0.2406 CCCCCCCSC(C)C(=O)NCCC 62a_100000230305_100000210316 [0,2,0,0,0,0|2,0,0]=4 12458 B15R0.2406 CCCCCCCSC(C)C(=O)OCCC 62a_100000210614_100000760410 [0,2,0,0,0,0|1,0,0]=3 12459 B15R0.2406 CCCCCCCSC(C)C(=O)OCCC 62a_100000760410_100000210316 [0,2,0,0,0,0|1,0,0]=3 12460 B15R0.2406 CCCCOCCOC(C)C(=O)OCCC 34a_100000037348_100000743108 [0,2,0,0,0,0|2,0,0]=4 12461 B15R0.2406 CCCCOCCOC(C)C(=O)OCCC 34a_100000210238_100000760410 [0,2,0,0,0,0|2,0,0]=4 12462 B15R0.2406 CCCCOCCOC(C)C(=O)OCCC 7a_100000037348_100000743108 [0,2,0,0,0,0|2,0,0]=4 12463 B15R0.2406 CCCCOCCOC(C)C(=O)OCCC 7a_100000210238_100000760410 [0,2,0,0,0,0|2,0,0]=4 12464 B15R0.2406 CCCCOCCSC(C)C(=O)OCCC 62a_100000743108_100000760410 [0,2,0,0,0,0|2,0,0]=4 12465 B15R0.2406 CCCCOCCSC(C)C(=O)OCCC 62a_100000760410_100000743108 [0,2,0,0,0,0|2,0,0]=4 12466 B15R0.2406 CCCCSCCNC(C)C(=O)OCCC 2230a_100025743550_100000760410 [0,2,0,0,0,0|2,0,0]=4 12467 B15R0.2406 CCCCSCCOC(C)C(=O)OCCC 34a_200000230436_100000760410 [0,2,0,0,0,0|2,0,0]=4 12468 B15R0.2406 CCCCSCCOC(C)C(=O)OCCC 7a_200000230436_100000760410 [0,2,0,0,0,0|2,0,0]=4 12469 B15R0.2406 CCCOC(=O)C(C)NCCCCCCO 2230a_100000686447_100000760410 [0,2,0,0,0,0|2,0,0]=4 12470 B15R0.2406 CCCOC(=O)C(C)NCCCCCCO 34a_100000686447_100000760410 [0,2,0,0,0,0|2,0,0]=4 12471 B15R0.2406 CCCOC(=O)C(C)NCCCCCOC 2230a_100000747528_100000760410 [0,2,0,0,0,0|2,0,0]=4 12472 B15R0.2406 CCCOC(=O)C(C)NCCCCCOC 34a_100000747528_100000760410 [0,2,0,0,0,0|2,0,0]=4 12473 B15R0.2406 CCCOC(=O)C(C)OCCCCCCBr 34a_100011215345_100000760410 [0,2,0,0,0,0|2,0,0]=4 12474 B15R0.2406 CCCOC(=O)C(C)OCCCCCCBr 7a_100011215345_100000760410 [0,2,0,0,0,0|2,0,0]=4 12475 B15R0.2406 CCCOC(=O)C(C)OCCCCCCCl 34a_100000766143_100000760410 [0,2,0,0,0,0|2,0,0]=4 12476 B15R0.2406 CCCOC(=O)C(C)OCCCCCCCl 7a_100000766143_100000760410 [0,2,0,0,0,0|2,0,0]=4 12477 B15R0.2406 CCCOC(=O)C(C)OCCCCCCF 34a_100000037348_100015922095 [0,2,0,0,0,0|2,0,0]=4 12478 B15R0.2406 CCCOC(=O)C(C)OCCCCCCF 34a_100000732779_100000760410 [0,2,0,0,0,0|2,0,0]=4 12479 B15R0.2406 CCCOC(=O)C(C)OCCCCCCF 7a_100000037348_100015922095 [0,2,0,0,0,0|2,0,0]=4 12480 B15R0.2406 CCCOC(=O)C(C)OCCCCCCF 7a_100000732779_100000760410 [0,2,0,0,0,0|2,0,0]=4 12481 B15R0.2406 CCCOC(=O)C(C)OCCCCCCN 34a_100000686447_100000760410 [0,2,0,0,0,0|2,0,0]=4 12482 B15R0.2406 CCCOC(=O)C(C)OCCCCCCO 34a_100000037348_100000766143 [0,2,0,0,0,0|2,0,0]=4 12483 B15R0.2406 CCCOC(=O)C(C)OCCCCCCO 7a_100000037348_100000766143 [0,2,0,0,0,0|2,0,0]=4 12484 B15R0.2406 CCCOC(=O)C(C)OCCCCCNC 34a_100000722520_100000760410 [0,2,0,0,0,0|2,0,0]=4 12485 B15R0.2406 CCCOC(=O)C(C)SCCCCCCF 62a_100000760410_100015922095 [0,2,0,0,0,0|2,0,0]=4 12486 B15R0.2406 CCCOC(=O)C(C)SCCCCCCF 62a_100015922095_100000760410 [0,2,0,0,0,0|2,0,0]=4 12487 B15R0.2406 CCCOC(=O)C(C)SCCCCCCO 62a_100000760410_100000766143 [0,2,0,0,0,0|2,0,0]=4 12488 B15R0.2406 CCCOC(=O)C(C)SCCCCCCO 62a_100000766143_100000760410 [0,2,0,0,0,0|2,0,0]=4 12489 B15R0.2406 CCCOCCCNC(C)C(=O)OCCC 2230a_100011217757_100000760410 [0,2,0,0,0,0|2,0,0]=4 12490 B15R0.2406 CCCOCCCNC(C)C(=O)OCCC 34a_100011217757_100000760410 [0,2,0,0,0,0|2,0,0]=4 12491 B15R0.3222 C#CCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100153394163 [0,2,0,0,0,0|0,0,2]=4 12492 B15R0.3222 C#CCCCCCCOC(C)C(=O)OCC 34a_100011217361_100011216346 [0,2,0,0,0,0|0,0,2]=4 12493 B15R0.3222 C#CCCCCCCOC(C)C(=O)OCC 7a_100011217361_100011216346 [0,2,0,0,0,0|0,0,2]=4 12494 B15R0.3222 C#CCCCCCCOC(F)C(=O)OCC 34a_100011217361_100000760018 [0,2,0,0,0,0|0,0,2]=4 12495 B15R0.3222 C#CCCCCCCOC(F)C(=O)OCC 7a_100011217361_100000040065 [0,2,0,0,0,0|0,0,2]=4 12496 B15R0.3222 C#CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100012276617 [0,2,0,0,0,0|0,0,2]=4 12497 B15R0.3222 C#CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100012276617 [0,2,0,0,0,0|0,0,2]=4 12498 B15R0.3222 C#CCCCCCCSC(C)C(=O)OCC 62a_100012276617_100011216346 [0,2,0,0,0,0|0,0,2]=4 12499 B15R0.3222 C#CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100012276617 [0,2,0,0,0,0|0,0,2]=4 12500 B15R0.3222 C#CCCCCCCSC(F)C(=O)OCC 62a_100012276617_100000760018 [0,2,0,0,0,0|0,0,2]=4 12501 B15R0.3222 C#CCN(C)C(=O)CCCCCCCCC 11a_100000225692_100000210558 [0,2,0,0,0,0|1,0,1]=4 12502 B15R0.3222 C#CCN(C)C(=O)CCCCCCCCC 1626a_100000225692_100000210558 [0,2,0,0,0,0|1,0,1]=4 12503 B15R0.3222 C#CCN(C)C(=O)CCCCCCCCC 527a_100000225692_100000210558 [0,2,0,0,0,0|1,0,1]=4 12504 B15R0.3222 C=C(CNCCCCCCO)C(=O)OCC 34a_100000686447_100000755967 [0,2,0,0,0,0|1,0,1]=4 12505 B15R0.3222 C=C(CNCCCCCOC)C(=O)OCC 34a_100000747528_100000755967 [0,2,0,0,0,0|1,0,1]=4 12506 B15R0.3222 C=C(CNCCCOCCC)C(=O)OCC 34a_100011217757_100000755967 [0,2,0,0,0,0|1,0,1]=4 12507 B15R0.3222 C=C(COCCCCCCBr)C(=O)OCC 34a_100011215345_100000755967 [0,2,0,0,0,0|1,0,1]=4 12508 B15R0.3222 C=C(COCCCCCCBr)C(=O)OCC 7a_100011215345_100000755967 [0,2,0,0,0,0|1,0,1]=4 12509 B15R0.3222 C=C(COCCCCCCC)C(=O)OCC 34a_100000210272_100000755967 [0,2,0,0,0,0|0,0,1]=3 12510 B15R0.3222 C=C(COCCCCCCC)C(=O)OCC 7a_100000210272_100000755967 [0,2,0,0,0,0|0,0,1]=3 12511 B15R0.3222 C=C(COCCCCCCCl)C(=O)OCC 34a_100000766143_100000755967 [0,2,0,0,0,0|1,0,1]=4 12512 B15R0.3222 C=C(COCCCCCCCl)C(=O)OCC 7a_100000766143_100000755967 [0,2,0,0,0,0|1,0,1]=4 12513 B15R0.3222 C=C(COCCCCCCF)C(=O)OCC 34a_100000732779_100000755967 [0,2,0,0,0,0|1,0,1]=4 12514 B15R0.3222 C=C(COCCCCCCF)C(=O)OCC 7a_100000732779_100000755967 [0,2,0,0,0,0|1,0,1]=4 12515 B15R0.3222 C=C(COCCCCCCN)C(=O)OCC 34a_100000686447_100000755967 [0,2,0,0,0,0|1,0,1]=4 12516 B15R0.3222 C=C(COCCCCCNC)C(=O)OCC 34a_100000722520_100000755967 [0,2,0,0,0,0|1,0,1]=4 12517 B15R0.3222 C=C(COCCOCCCC)C(=O)OCC 34a_100000210238_100000755967 [0,2,0,0,0,0|1,0,1]=4 12518 B15R0.3222 C=C(COCCOCCCC)C(=O)OCC 7a_100000210238_100000755967 [0,2,0,0,0,0|1,0,1]=4 12519 B15R0.3222 C=C(COCCSCCCC)C(=O)OCC 34a_200000230436_100000755967 [0,2,0,0,0,0|1,0,1]=4 12520 B15R0.3222 C=C(COCCSCCCC)C(=O)OCC 7a_200000230436_100000755967 [0,2,0,0,0,0|1,0,1]=4 12521 B15R0.3222 C=C(CSCCCCCCC)C(=O)OCC 62a_100000210614_100000755967 [0,2,0,0,0,0|0,0,1]=3 12522 B15R0.3222 C=C(CSCCCCCCC)C(=O)OCC 62a_100000755967_100000210316 [0,2,0,0,0,0|0,0,1]=3 12523 B15R0.3222 C=C(CSCCCCCCF)C(=O)OCC 62a_100000755967_100015922095 [0,2,0,0,0,0|1,0,1]=4 12524 B15R0.3222 C=C(CSCCCCCCF)C(=O)OCC 62a_100015922095_100000755967 [0,2,0,0,0,0|1,0,1]=4 12525 B15R0.3222 C=C(CSCCCCCCO)C(=O)OCC 62a_100000755967_100000766143 [0,2,0,0,0,0|1,0,1]=4 12526 B15R0.3222 C=C(CSCCCCCCO)C(=O)OCC 62a_100000766143_100000755967 [0,2,0,0,0,0|1,0,1]=4 12527 B15R0.3222 C=C(CSCCOCCCC)C(=O)OCC 62a_100000743108_100000755967 [0,2,0,0,0,0|1,0,1]=4 12528 B15R0.3222 C=C(CSCCOCCCC)C(=O)OCC 62a_100000755967_100000743108 [0,2,0,0,0,0|1,0,1]=4 12529 B15R0.3222 C=CCC(C)C(=O)CCCCCCCCC 1458a_100011216819_100000210670 [0,2,0,0,0,0|1,0,1]=4 12530 B15R0.3222 C=CCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100012355270 [0,2,0,0,0,0|0,0,2]=4 12531 B15R0.3222 C=CCCCCCCOC(C)C(=O)OCC 34a_200011216477_100011216346 [0,2,0,0,0,0|0,0,2]=4 12532 B15R0.3222 C=CCCCCCCOC(C)C(=O)OCC 7a_200011216477_100011216346 [0,2,0,0,0,0|0,0,2]=4 12533 B15R0.3222 C=CCCCCCCOC(F)C(=O)OCC 34a_200011216477_100000760018 [0,2,0,0,0,0|0,0,2]=4 12534 B15R0.3222 C=CCCCCCCOC(F)C(=O)OCC 7a_200011216477_100000040065 [0,2,0,0,0,0|0,0,2]=4 12535 B15R0.3222 C=CCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215473 [0,2,0,0,0,0|0,0,2]=4 12536 B15R0.3222 C=CCCCCCCSC(C)C(=O)OCC 62a_100011215473_100011216346 [0,2,0,0,0,0|0,0,2]=4 12537 B15R0.3222 C=CCCCCCCSC(C)C(=O)OCC 62a_100011216346_100011215473 [0,2,0,0,0,0|0,0,2]=4 12538 B15R0.3222 C=CCCCCCCSC(F)C(=O)OCC 62a_100000760018_100011215473 [0,2,0,0,0,0|0,0,2]=4 12539 B15R0.3222 C=CCCCCCCSC(F)C(=O)OCC 62a_100011215473_100000760018 [0,2,0,0,0,0|0,0,2]=4 12540 B15R0.3222 C=CCN(C)C(=O)CCCCCCCCC 11a_100000225617_100000210558 [0,2,0,0,0,0|1,0,1]=4 12541 B15R0.3222 C=CCN(C)C(=O)CCCCCCCCC 1626a_100000225617_100000210558 [0,2,0,0,0,0|1,0,1]=4 12542 B15R0.3222 C=CCN(C)C(=O)CCCCCCCCC 240690a_100000225617_100000210558 [0,2,0,0,0,0|1,0,1]=4 12543 B15R0.3222 C=CCN(C)C(=O)CCCCCCCCC 527a_100000225617_100000210558 [0,2,0,0,0,0|1,0,1]=4 12544 B15R0.3222 CC/C=C(\C)/C(=O)CCCCCCCCC 1458a_100016988807_100000210670 [0,2,0,0,0,0|1,0,0]=3 12545 B15R0.3222 CC/C=C(\C)/C(=O)CCCCCCCCO 1458a_100016988807_100000033203 [0,2,0,0,0,0|2,0,0]=4 12546 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC 11a_100000229939_100016988807 [0,2,0,0,0,0|2,0,0]=4 12547 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC 1626a_100000229939_100016988807 [0,2,0,0,0,0|2,0,0]=4 12548 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC 240690a_100000229939_100016988807 [0,2,0,0,0,0|2,0,0]=4 12549 B15R0.3222 CC/C=C(\C)/C(=O)NCCCCCCCC 527a_100000229939_100016988807 [0,2,0,0,0,0|2,0,0]=4 12550 B15R0.3222 CC/C=C\CCCCOC(C)C(=O)OCC 34a_100016287862_100011216346 [0,2,0,0,0,0|0,0,2]=4 12551 B15R0.3222 CC/C=C\CCCCOC(C)C(=O)OCC 7a_100016287862_100011216346 [0,2,0,0,0,0|0,0,2]=4 12552 B15R0.3222 CC/C=C\CCCCOC(F)C(=O)OCC 34a_100016287862_100000760018 [0,2,0,0,0,0|0,0,2]=4 12553 B15R0.3222 CC/C=C\CCCCOC(F)C(=O)OCC 7a_100016287862_100000040065 [0,2,0,0,0,0|0,0,2]=4 12554 B15R0.3222 CC=CC(=O)N(C)CCCCCCCCC 11a_100000232482_100000210699 [0,2,0,0,0,0|1,0,1]=4 12555 B15R0.3222 CC=CC(=O)N(C)CCCCCCCCC 1626a_100000232482_100000210699 [0,2,0,0,0,0|1,0,1]=4 12556 B15R0.3222 CC=CC(=O)N(C)CCCCCCCCC 240690a_100000232482_100000210699 [0,2,0,0,0,0|1,0,1]=4 12557 B15R0.3222 CCCC(C)C(=O)CCCCCCCCO 1458a_100000210906_100000033203 [0,2,0,0,0,0|2,0,0]=4 12558 B15R0.3222 CCCC/C=C\CCOC(C)C(=O)OCC 34a_200016286491_100011216346 [0,2,0,0,0,0|0,0,2]=4 12559 B15R0.3222 CCCC/C=C\CCOC(C)C(=O)OCC 7a_200016286491_100011216346 [0,2,0,0,0,0|0,0,2]=4 12560 B15R0.3222 CCCC/C=C\CCOC(F)C(=O)OCC 34a_200016286491_100000760018 [0,2,0,0,0,0|0,0,2]=4 12561 B15R0.3222 CCCC/C=C\CCOC(F)C(=O)OCC 7a_200016286491_100000040065 [0,2,0,0,0,0|0,0,2]=4 12562 B15R0.3222 CCCCC#CCCCC(=O)C(C)OCC 1458a_100000739345_200000047210 [0,2,0,0,0,0|0,0,2]=4 12563 B15R0.3222 CCCCC#CCCOC(C)C(=O)OCC 34a_100000037610_100011216346 [0,2,0,0,0,0|0,0,2]=4 12564 B15R0.3222 CCCCC#CCCOC(C)C(=O)OCC 7a_100000037610_100011216346 [0,2,0,0,0,0|0,0,2]=4 12565 B15R0.3222 CCCCC#CCCOC(F)C(=O)OCC 34a_100000037610_100000760018 [0,2,0,0,0,0|0,0,2]=4 12566 B15R0.3222 CCCCC#CCCOC(F)C(=O)OCC 7a_100000037610_100000040065 [0,2,0,0,0,0|0,0,2]=4 12567 B15R0.3222 CCCCC/C=C/COC(C)C(=O)OCC 34a_100016258190_100011216346 [0,2,0,0,0,0|0,0,2]=4 12568 B15R0.3222 CCCCC/C=C/COC(C)C(=O)OCC 7a_100016258190_100011216346 [0,2,0,0,0,0|0,0,2]=4 12569 B15R0.3222 CCCCC/C=C/COC(F)C(=O)OCC 34a_100016258190_100000760018 [0,2,0,0,0,0|0,0,2]=4 12570 B15R0.3222 CCCCC/C=C/COC(F)C(=O)OCC 7a_100016258190_100000040065 [0,2,0,0,0,0|0,0,2]=4 12571 B15R0.3222 CCCCCC#CCOC(C)C(=O)OCC 34a_200000033628_100011216346 [0,2,0,0,0,0|0,0,2]=4 12572 B15R0.3222 CCCCCC#CCOC(C)C(=O)OCC 7a_200000033628_100011216346 [0,2,0,0,0,0|0,0,2]=4 12573 B15R0.3222 CCCCCC#CCOC(F)C(=O)OCC 34a_200000033628_100000760018 [0,2,0,0,0,0|0,0,2]=4 12574 B15R0.3222 CCCCCC#CCOC(F)C(=O)OCC 7a_200000033628_100000040065 [0,2,0,0,0,0|0,0,2]=4 12575 B15R0.3222 CCCCCC#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100009816472 [0,2,0,0,0,0|0,0,2]=4 12576 B15R0.3222 CCCCCC#CCSC(C)C(=O)OCC 62a_100009816472_100011216346 [0,2,0,0,0,0|0,0,2]=4 12577 B15R0.3222 CCCCCC#CCSC(C)C(=O)OCC 62a_100011216346_100009816472 [0,2,0,0,0,0|0,0,2]=4 12578 B15R0.3222 CCCCCC#CCSC(F)C(=O)OCC 62a_100000760018_100009816472 [0,2,0,0,0,0|0,0,2]=4 12579 B15R0.3222 CCCCCC#CCSC(F)C(=O)OCC 62a_100009816472_100000760018 [0,2,0,0,0,0|0,0,2]=4 12580 B15R0.3222 CCCCCCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210670 [0,2,0,0,0,0|2,0,0]=4 12581 B15R0.3222 CCCCCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210670 [0,2,0,0,0,0|1,0,0]=3 12582 B15R0.3222 CCCCCCCCCC(=O)C(C)CC#N 1458a_100000210558_100009813641 [0,2,0,0,0,0|1,0,1]=4 12583 B15R0.3222 CCCCCCCCCC(=O)C(C)CCC 1458a_100000210558_100000766640 [0,2,0,0,0,0|1,0,0]=3 12584 B15R0.3222 CCCCCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210670 [0,2,0,0,0,0|1,0,0]=3 12585 B15R0.3222 CCCCCCCCCC(=O)C(C)CCO 1458a_100000210558_100009893172 [0,2,0,0,0,0|1,0,0]=3 12586 B15R0.3222 CCCCCCCCCC(=O)C(C)COC 1458a_100000210558_100000765312 [0,2,0,0,0,0|1,0,0]=3 12587 B15R0.3222 CCCCCCCCCC(=O)C(C)COC 1458a_100000751857_100000210670 [0,2,0,0,0,0|1,0,0]=3 12588 B15R0.3222 CCCCCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210670 [0,2,0,0,0,0|1,0,0]=3 12589 B15R0.3222 CCCCCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210670 [0,2,0,0,0,0|0,0,0]=2 12590 B15R0.3222 CCCCCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210670 [0,2,0,0,0,0|0,1,0]=3 12591 B15R0.3222 CCCCCCCCCC(=O)N(C)CC#N 11a_100000748184_100000210558 [0,2,0,0,0,0|1,0,1]=4 12592 B15R0.3222 CCCCCCCCCC(=O)N(C)CC#N 1626a_100000748184_100000210558 [0,2,0,0,0,0|1,0,1]=4 12593 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 11a_100000747261_100000210558 [0,2,0,0,0,0|1,0,0]=3 12594 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 1626a_100000747261_100000210558 [0,2,0,0,0,0|1,0,0]=3 12595 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 240690a_100000747261_100000210558 [0,2,0,0,0,0|1,0,0]=3 12596 B15R0.3222 CCCCCCCCCC(=O)N(C)CCC 527a_100000747261_100000210558 [0,2,0,0,0,0|1,0,0]=3 12597 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO 240690a_100000210263_100000210558 [0,2,0,0,0,0|1,0,0]=3 12598 B15R0.3222 CCCCCCCCCC(=O)N(C)CCO 527a_100000210263_100000210558 [0,2,0,0,0,0|1,0,0]=3 12599 B15R0.3222 CCCCCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210670 [0,2,0,0,0,0|1,0,0]=3 12600 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 11a_100000232482_100000211992 [0,2,0,0,0,0|1,0,0]=3 12601 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 1626a_100000232482_100000211992 [0,2,0,0,0,0|1,0,0]=3 12602 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 240690a_100000232482_100000211992 [0,2,0,0,0,0|1,0,0]=3 12603 B15R0.3222 CCCCCCCCCN(C)C(=O)CCC 527a_100000232482_100000211992 [0,2,0,0,0,0|1,0,0]=3 12604 B15R0.3222 CCCCCCCCCN(C)C(=O)CCO 240690a_100000232482_100011216618 [0,2,0,0,0,0|2,0,0]=4 12605 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 11a_100000232482_100000210968 [0,2,0,0,0,0|2,0,0]=4 12606 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 1626a_100000232482_100000210968 [0,2,0,0,0,0|2,0,0]=4 12607 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 240690a_100000232482_100000210968 [0,2,0,0,0,0|2,0,0]=4 12608 B15R0.3222 CCCCCCCCCN(C)C(=O)COC 527a_100000232482_100000210968 [0,2,0,0,0,0|2,0,0]=4 12609 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 11a_100000232482_100000184570 [0,2,0,0,0,0|2,0,0]=4 12610 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 1626a_100000232482_100000184570 [0,2,0,0,0,0|2,0,0]=4 12611 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 240690a_100000232482_100000184570 [0,2,0,0,0,0|2,0,0]=4 12612 B15R0.3222 CCCCCCCCCN(C)C(=O)CSC 527a_100000232482_100000184570 [0,2,0,0,0,0|2,0,0]=4 12613 B15R0.3222 CCCCCCCCCN(C)C(=O)NCC 2708a_100015525214_100000232482 [0,2,0,0,0,0|1,0,0]=3 12614 B15R0.3222 CCCCCCCCCN(C)C(=O)NCC 273464a_100015525214_100000232482 [0,2,0,0,0,0|1,0,0]=3 12615 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 1626a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 12616 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 240690a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 12617 B15R0.3222 CCCCCCCCNC(=O)C(=O)NCC 527a_100000229939_200011297158 [0,2,0,0,0,0|1,0,1]=4 12618 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 11a_100000229939_100014798877 [0,2,0,0,0,0|0,0,1]=3 12619 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 1626a_100000229939_100014798877 [0,2,0,0,0,0|0,0,1]=3 12620 B15R0.3222 CCCCCCCCNC(=O)C(=O)OCC 240690a_100000229939_100014798877 [0,2,0,0,0,0|0,0,1]=3 12621 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 11a_100000229939_100000210906 [0,2,0,0,0,0|2,0,0]=4 12622 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 1626a_100000229939_100000210906 [0,2,0,0,0,0|2,0,0]=4 12623 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 240690a_100000229939_100000210906 [0,2,0,0,0,0|2,0,0]=4 12624 B15R0.3222 CCCCCCCCNC(=O)C(C)CCC 527a_100000229939_100000210906 [0,2,0,0,0,0|2,0,0]=4 12625 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 11a_100000229939_100000751857 [0,2,0,0,0,0|2,0,0]=4 12626 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 1626a_100000229939_100000751857 [0,2,0,0,0,0|2,0,0]=4 12627 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 240690a_100000229939_100000751857 [0,2,0,0,0,0|2,0,0]=4 12628 B15R0.3222 CCCCCCCCNC(=O)C(C)COC 527a_100000229939_100000751857 [0,2,0,0,0,0|2,0,0]=4 12629 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 11a_100000229939_100000753918 [0,2,0,0,0,0|2,0,0]=4 12630 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 1626a_100000229939_100000753918 [0,2,0,0,0,0|2,0,0]=4 12631 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 240690a_100000229939_100000753918 [0,2,0,0,0,0|2,0,0]=4 12632 B15R0.3222 CCCCCCCCNC(=O)C(C)CSC 527a_100000229939_100000753918 [0,2,0,0,0,0|2,0,0]=4 12633 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 11a_100000229939_100000739345 [0,2,0,0,0,0|1,0,0]=3 12634 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 1626a_100000229939_100000739345 [0,2,0,0,0,0|1,0,0]=3 12635 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 240690a_100000229939_100000739345 [0,2,0,0,0,0|1,0,0]=3 12636 B15R0.3222 CCCCCCCCNC(=O)C(C)OCC 527a_100000229939_100000739345 [0,2,0,0,0,0|1,0,0]=3 12637 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 11a_100000229939_100000230601 [0,2,0,0,0,0|1,1,0]=4 12638 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 1626a_100000229939_100000230601 [0,2,0,0,0,0|1,1,0]=4 12639 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 240690a_100000229939_100000230601 [0,2,0,0,0,0|1,1,0]=4 12640 B15R0.3222 CCCCCCCCNC(=O)C(C)SCC 527a_100000229939_100000230601 [0,2,0,0,0,0|1,1,0]=4 12641 B15R0.3222 CCCCCCCCNC(=O)N(C)CCC 2708a_100000229939_100000747261 [0,2,0,0,0,0|2,0,0]=4 12642 B15R0.3222 CCCCCCCCNC(=O)N(C)CCC 273464a_100000229939_100000747261 [0,2,0,0,0,0|2,0,0]=4 12643 B15R0.3222 CCCCCCCCNC(=O)N(C)CCO 2708a_100000229939_100000210263 [0,2,0,0,0,0|2,0,0]=4 12644 B15R0.3222 CCCCCCCCNC(=O)N(C)CCO 273464a_100000229939_100000210263 [0,2,0,0,0,0|2,0,0]=4 12645 B15R0.3222 CCCCCCCCNC(=O)[C@@H](O)CCC 240690a_100000229939_100009822183 [0,2,0,0,0,0|2,0,0]=4 12646 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 2230a_100000229939_100000230173 [0,2,0,0,0,0|1,0,0]=3 12647 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 2230a_100000736553_100000210759 [0,2,0,0,0,0|1,0,0]=3 12648 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 34a_100000229939_100000230173 [0,2,0,0,0,0|1,0,0]=3 12649 B15R0.3222 CCCCCCCCNC(C)C(=O)NCC 34a_100000736553_100000210759 [0,2,0,0,0,0|1,0,0]=3 12650 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 2230a_100000229939_100011215307 [0,2,0,0,0,0|0,0,0]=2 12651 B15R0.3222 CCCCCCCCNC(C)C(=O)OCC 34a_100000229939_100011216346 [0,2,0,0,0,0|0,0,0]=2 12652 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 2230a_100000229939_100000760018 [0,2,0,0,0,0|0,0,0]=2 12653 B15R0.3222 CCCCCCCCNC(F)C(=O)OCC 34a_100000229939_100000760018 [0,2,0,0,0,0|0,0,0]=2 12654 B15R0.3222 CCCCCCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210759 [0,2,0,0,0,0|0,1,0]=3 12655 B15R0.3222 CCCCCCCCOC(C)C(=O)NCC 34a_100000210232_100000230173 [0,2,0,0,0,0|1,0,0]=3 12656 B15R0.3222 CCCCCCCCOC(C)C(=O)NCC 7a_100000210232_100000230173 [0,2,0,0,0,0|1,0,0]=3 12657 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 34a_100000210232_100011216346 [0,2,0,0,0,0|0,0,0]=2 12658 B15R0.3222 CCCCCCCCOC(C)C(=O)OCC 7a_100000210232_100011216346 [0,2,0,0,0,0|0,0,0]=2 12659 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 34a_100000210232_100000760018 [0,2,0,0,0,0|0,0,0]=2 12660 B15R0.3222 CCCCCCCCOC(F)C(=O)OCC 7a_100000210232_100000040065 [0,2,0,0,0,0|0,0,0]=2 12661 B15R0.3222 CCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210759 [0,2,0,0,0,0|0,0,0]=2 12662 B15R0.3222 CCCCCCCCSC(C)C(=O)NCC 62a_100000210759_100000230173 [0,2,0,0,0,0|1,0,0]=3 12663 B15R0.3222 CCCCCCCCSC(C)C(=O)NCC 62a_100000230173_100000210317 [0,2,0,0,0,0|1,0,0]=3 12664 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100000210759_100011216346 [0,2,0,0,0,0|0,0,0]=2 12665 B15R0.3222 CCCCCCCCSC(C)C(=O)OCC 62a_100011216346_100000210317 [0,2,0,0,0,0|0,0,0]=2 12666 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000210759_100000760018 [0,2,0,0,0,0|0,0,0]=2 12667 B15R0.3222 CCCCCCCCSC(F)C(=O)OCC 62a_100000760018_100000210317 [0,2,0,0,0,0|0,0,0]=2 12668 B15R0.3222 CCCCCCCSCC(=O)C(=O)OCC 62a_100000210614_100000211299 [0,2,0,0,0,0|0,0,1]=3 12669 B15R0.3222 CCCCCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210316 [0,2,0,0,0,0|0,0,1]=3 12670 B15R0.3222 CCCCCNCCOC(C)C(=O)NCC 34a_100000224656_100000230173 [0,2,0,0,0,0|2,0,0]=4 12671 B15R0.3222 CCCCCNCCOC(C)C(=O)OCC 34a_100000224656_100011216346 [0,2,0,0,0,0|1,0,0]=3 12672 B15R0.3222 CCCCCNCCOC(F)C(=O)OCC 34a_100000224656_100000760018 [0,2,0,0,0,0|1,0,0]=3 12673 B15R0.3222 CCCCCOCCOC(C)C(=O)NCC 34a_100011215259_100000230173 [0,2,0,0,0,0|2,0,0]=4 12674 B15R0.3222 CCCCCOCCOC(C)C(=O)NCC 7a_100011215259_100000230173 [0,2,0,0,0,0|2,0,0]=4 12675 B15R0.3222 CCCCCOCCOC(C)C(=O)OCC 34a_100011215259_100011216346 [0,2,0,0,0,0|1,0,0]=3 12676 B15R0.3222 CCCCCOCCOC(C)C(=O)OCC 7a_100011215259_100011216346 [0,2,0,0,0,0|1,0,0]=3 12677 B15R0.3222 CCCCCOCCOC(F)C(=O)OCC 34a_100011215259_100000760018 [0,2,0,0,0,0|1,0,0]=3 12678 B15R0.3222 CCCCCOCCOC(F)C(=O)OCC 7a_100011215259_100000040065 [0,2,0,0,0,0|1,0,0]=3 12679 B15R0.3222 CCCCOCCCNC(=O)C(=O)OCC 1626a_200000211371_100014798877 [0,2,0,0,0,0|1,0,1]=4 12680 B15R0.3222 CCCCOCCCNC(=O)C(=O)OCC 240690a_200000211371_100014798877 [0,2,0,0,0,0|1,0,1]=4 12681 B15R0.3222 CCCCOCCCNC(=O)C(C)OCC 1626a_200000211371_100000739345 [0,2,0,0,0,0|2,0,0]=4 12682 B15R0.3222 CCCCOCCCNC(=O)C(C)OCC 240690a_200000211371_100000739345 [0,2,0,0,0,0|2,0,0]=4 12683 B15R0.3222 CCCCOCCCNC(=O)C(C)OCC 527a_200000211371_100000739345 [0,2,0,0,0,0|2,0,0]=4 12684 B15R0.3222 CCCCOCCCNC(C)C(=O)NCC 2230a_200000211371_100000230173 [0,2,0,0,0,0|2,0,0]=4 12685 B15R0.3222 CCCCOCCCNC(C)C(=O)NCC 34a_200000211371_100000230173 [0,2,0,0,0,0|2,0,0]=4 12686 B15R0.3222 CCCCOCCCNC(C)C(=O)OCC 2230a_200000211371_100011215307 [0,2,0,0,0,0|1,0,0]=3 12687 B15R0.3222 CCCCOCCCNC(C)C(=O)OCC 34a_200000211371_100011216346 [0,2,0,0,0,0|1,0,0]=3 12688 B15R0.3222 CCCCOCCCNC(F)C(=O)OCC 2230a_200000211371_100000760018 [0,2,0,0,0,0|1,0,0]=3 12689 B15R0.3222 CCCCOCCCNC(F)C(=O)OCC 34a_200000211371_100000760018 [0,2,0,0,0,0|1,0,0]=3 12690 B15R0.3222 CCCCOCCCOC(C)C(=O)NCC 34a_200011215613_100000230173 [0,2,0,0,0,0|2,0,0]=4 12691 B15R0.3222 CCCCOCCCOC(C)C(=O)NCC 7a_200011215613_100000230173 [0,2,0,0,0,0|2,0,0]=4 12692 B15R0.3222 CCCCOCCCOC(C)C(=O)OCC 34a_200011215613_100011216346 [0,2,0,0,0,0|1,0,0]=3 12693 B15R0.3222 CCCCOCCCOC(C)C(=O)OCC 7a_200011215613_100011216346 [0,2,0,0,0,0|1,0,0]=3 12694 B15R0.3222 CCCCOCCCOC(F)C(=O)OCC 34a_200011215613_100000760018 [0,2,0,0,0,0|1,0,0]=3 12695 B15R0.3222 CCCCOCCCOC(F)C(=O)OCC 7a_200011215613_100000040065 [0,2,0,0,0,0|1,0,0]=3 12696 B15R0.3222 CCCCOCCSCC(=O)C(=O)OCC 62a_100000211299_100000743108 [0,2,0,0,0,0|1,0,1]=4 12697 B15R0.3222 CCCCOCCSCC(=O)C(=O)OCC 62a_100000743108_100000211299 [0,2,0,0,0,0|1,0,1]=4 12698 B15R0.3222 CCCN(C)C(=O)CCCCCCCCO 240690a_100000747261_100000015970 [0,2,0,0,0,0|2,0,0]=4 12699 B15R0.3222 CCCSCCCCCC(=O)C(=O)OCC 62a_100000210303_100000068741 [0,2,0,0,0,0|0,0,1]=3 12700 B15R0.3222 CCC[C@H](O)C(=O)CCCCCCCCO 1458a_100009822183_100000033203 [0,2,0,0,0,0|2,0,0]=4 12701 B15R0.3222 CCNC(=O)C(=O)CCCCCCCCO 1458a_200011297158_100000033203 [0,2,0,0,0,0|1,0,1]=4 12702 B15R0.3222 CCNC(=O)C(C)NCCCCCCCO 2230a_100000736553_100000760002 [0,2,0,0,0,0|2,0,0]=4 12703 B15R0.3222 CCNC(=O)C(C)NCCCCCCCO 2230a_100011996573_100000230173 [0,2,0,0,0,0|2,0,0]=4 12704 B15R0.3222 CCNC(=O)C(C)NCCCCCCCO 34a_100000736553_100000760002 [0,2,0,0,0,0|2,0,0]=4 12705 B15R0.3222 CCNC(=O)C(C)NCCCCCCCO 34a_100011996573_100000230173 [0,2,0,0,0,0|2,0,0]=4 12706 B15R0.3222 CCNC(=O)C(C)NCCCCCCOC 2230a_100000736553_100011998445 [0,2,0,0,0,0|2,0,0]=4 12707 B15R0.3222 CCNC(=O)C(C)NCCCCCCOC 34a_100000736553_100011998445 [0,2,0,0,0,0|2,0,0]=4 12708 B15R0.3222 CCNC(=O)C(C)OCCCCCCCBr 34a_100000760002_100000230173 [0,2,0,0,0,0|2,0,0]=4 12709 B15R0.3222 CCNC(=O)C(C)OCCCCCCCBr 7a_100000760002_100000230173 [0,2,0,0,0,0|2,0,0]=4 12710 B15R0.3222 CCNC(=O)C(C)OCCCCCCCN 34a_100011996573_100000230173 [0,2,0,0,0,0|2,0,0]=4 12711 B15R0.3222 CCNC(=O)C(C)OCCCCCCOC 34a_200012092642_100000230173 [0,2,0,0,0,0|2,0,0]=4 12712 B15R0.3222 CCNC(=O)C(C)OCCCCCCOC 7a_200012092642_100000230173 [0,2,0,0,0,0|2,0,0]=4 12713 B15R0.3222 CCNC(=O)C(C)SCCCCCCCO 62a_100000230173_100000760002 [0,2,0,0,0,0|2,0,0]=4 12714 B15R0.3222 CCNC(=O)C(C)SCCCCCCCO 62a_100000760002_100000230173 [0,2,0,0,0,0|2,0,0]=4 12715 B15R0.3222 CCNC(=O)C(C)SCCCCCCOC 62a_100000230173_100011998445 [0,2,0,0,0,0|2,0,0]=4 12716 B15R0.3222 CCNC(=O)C(C)SCCCCCCOC 62a_100011998445_100000230173 [0,2,0,0,0,0|2,0,0]=4 12717 B15R0.3222 CCOC(=O)C(=O)CCCCCNCCO 2230a_100016997473_100000068741 [0,2,0,0,0,0|1,0,1]=4 12718 B15R0.3222 CCOC(=O)C(=O)CCCCCSCCF 62a_100011217306_100000068741 [0,2,0,0,0,0|1,0,1]=4 12719 B15R0.3222 CCOC(=O)C(=O)CCCCCSCCO 62a_100000211926_100000068741 [0,2,0,0,0,0|1,0,1]=4 12720 B15R0.3222 CCOC(=O)C(=O)CCCCCSCOC 62a_100000766300_100000068741 [0,2,0,0,0,0|1,0,1]=4 12721 B15R0.3222 CCOC(=O)C(=O)CCCCCSCSC 62a_100011218213_100000068741 [0,2,0,0,0,0|1,0,1]=4 12722 B15R0.3222 CCOC(=O)C(=O)CSCCCCCCF 62a_100000211299_100015922095 [0,2,0,0,0,0|1,0,1]=4 12723 B15R0.3222 CCOC(=O)C(=O)CSCCCCCCF 62a_100015922095_100000211299 [0,2,0,0,0,0|1,0,1]=4 12724 B15R0.3222 CCOC(=O)C(=O)CSCCCCCCO 62a_100000211299_100000766143 [0,2,0,0,0,0|1,0,1]=4 12725 B15R0.3222 CCOC(=O)C(=O)CSCCCCCCO 62a_100000766143_100000211299 [0,2,0,0,0,0|1,0,1]=4 12726 B15R0.3222 CCOC(=O)C(=O)NCCCCCCCO 240690a_100011996573_100014798877 [0,2,0,0,0,0|1,0,1]=4 12727 B15R0.3222 CCOC(=O)C(C)NCCCCCCCO 2230a_100011996573_100011215307 [0,2,0,0,0,0|1,0,0]=3 12728 B15R0.3222 CCOC(=O)C(C)NCCCCCCCO 34a_100011996573_100011216346 [0,2,0,0,0,0|1,0,0]=3 12729 B15R0.3222 CCOC(=O)C(C)NCCCOCCCO 2230a_100011310245_100011215307 [0,2,0,0,0,0|2,0,0]=4 12730 B15R0.3222 CCOC(=O)C(C)NCCCOCCCO 34a_100011310245_100011216346 [0,2,0,0,0,0|2,0,0]=4 12731 B15R0.3222 CCOC(=O)C(C)NCCCOCCOC 2230a_100000206027_100011215307 [0,2,0,0,0,0|2,0,0]=4 12732 B15R0.3222 CCOC(=O)C(C)NCCCOCCOC 34a_100000206027_100011216346 [0,2,0,0,0,0|2,0,0]=4 12733 B15R0.3222 CCOC(=O)C(C)OCCCCCCCBr 34a_100000760002_100011216346 [0,2,0,0,0,0|1,0,0]=3 12734 B15R0.3222 CCOC(=O)C(C)OCCCCCCCBr 7a_100000760002_100011216346 [0,2,0,0,0,0|1,0,0]=3 12735 B15R0.3222 CCOC(=O)C(C)OCCCCCCCN 34a_100011996573_100011216346 [0,2,0,0,0,0|1,0,0]=3 12736 B15R0.3222 CCOC(=O)C(C)OCCCCCCOC 34a_200012092642_100011216346 [0,2,0,0,0,0|1,0,0]=3 12737 B15R0.3222 CCOC(=O)C(C)OCCCCCCOC 7a_200012092642_100011216346 [0,2,0,0,0,0|1,0,0]=3 12738 B15R0.3222 CCOC(=O)C(C)OCCCOCCCN 34a_100011310245_100011216346 [0,2,0,0,0,0|2,0,0]=4 12739 B15R0.3222 CCOC(=O)C(C)SCCCCCCC#N 62a_100009813337_100011216346 [0,2,0,0,0,0|1,0,1]=4 12740 B15R0.3222 CCOC(=O)C(C)SCCCCCCC#N 62a_100011216346_100009813337 [0,2,0,0,0,0|1,0,1]=4 12741 B15R0.3222 CCOC(=O)C(C)SCCCCCCCO 62a_100000760002_100011216346 [0,2,0,0,0,0|1,0,0]=3 12742 B15R0.3222 CCOC(=O)C(C)SCCCCCCCO 62a_100011216346_100000760002 [0,2,0,0,0,0|1,0,0]=3 12743 B15R0.3222 CCOC(=O)C(C)SCCCCCCOC 62a_100011216346_100011998445 [0,2,0,0,0,0|1,0,0]=3 12744 B15R0.3222 CCOC(=O)C(C)SCCCCCCOC 62a_100011998445_100011216346 [0,2,0,0,0,0|1,0,0]=3 12745 B15R0.3222 CCOC(=O)C(C)SCCCOCCOC 62a_100011216346_100011216529 [0,2,0,0,0,0|2,0,0]=4 12746 B15R0.3222 CCOC(=O)C(C)SCCCOCCOC 62a_100011216529_100011216346 [0,2,0,0,0,0|2,0,0]=4 12747 B15R0.3222 CCOC(=O)C(F)NCCCCCCCO 2230a_100011996573_100000760018 [0,2,0,0,0,0|1,0,0]=3 12748 B15R0.3222 CCOC(=O)C(F)NCCCCCCCO 34a_100011996573_100000760018 [0,2,0,0,0,0|1,0,0]=3 12749 B15R0.3222 CCOC(=O)C(F)NCCCOCCCO 2230a_100011310245_100000760018 [0,2,0,0,0,0|2,0,0]=4 12750 B15R0.3222 CCOC(=O)C(F)NCCCOCCCO 34a_100011310245_100000760018 [0,2,0,0,0,0|2,0,0]=4 12751 B15R0.3222 CCOC(=O)C(F)NCCCOCCOC 2230a_100000206027_100000760018 [0,2,0,0,0,0|2,0,0]=4 12752 B15R0.3222 CCOC(=O)C(F)NCCCOCCOC 34a_100000206027_100000760018 [0,2,0,0,0,0|2,0,0]=4 12753 B15R0.3222 CCOC(=O)C(F)OCCCCCCCBr 34a_100000760002_100000760018 [0,2,0,0,0,0|1,0,0]=3 12754 B15R0.3222 CCOC(=O)C(F)OCCCCCCCBr 7a_100000760002_100000040065 [0,2,0,0,0,0|1,0,0]=3 12755 B15R0.3222 CCOC(=O)C(F)OCCCCCCCN 34a_100011996573_100000760018 [0,2,0,0,0,0|1,0,0]=3 12756 B15R0.3222 CCOC(=O)C(F)OCCCCCCOC 34a_200012092642_100000760018 [0,2,0,0,0,0|1,0,0]=3 12757 B15R0.3222 CCOC(=O)C(F)OCCCCCCOC 7a_200012092642_100000040065 [0,2,0,0,0,0|1,0,0]=3 12758 B15R0.3222 CCOC(=O)C(F)OCCCOCCCN 34a_100011310245_100000760018 [0,2,0,0,0,0|2,0,0]=4 12759 B15R0.3222 CCOC(=O)C(F)SCCCCCCC#N 62a_100000760018_100009813337 [0,2,0,0,0,0|1,0,1]=4 12760 B15R0.3222 CCOC(=O)C(F)SCCCCCCC#N 62a_100009813337_100000760018 [0,2,0,0,0,0|1,0,1]=4 12761 B15R0.3222 CCOC(=O)C(F)SCCCCCCCO 62a_100000760002_100000760018 [0,2,0,0,0,0|1,0,0]=3 12762 B15R0.3222 CCOC(=O)C(F)SCCCCCCCO 62a_100000760018_100000760002 [0,2,0,0,0,0|1,0,0]=3 12763 B15R0.3222 CCOC(=O)C(F)SCCCCCCOC 62a_100000760018_100011998445 [0,2,0,0,0,0|1,0,0]=3 12764 B15R0.3222 CCOC(=O)C(F)SCCCCCCOC 62a_100011998445_100000760018 [0,2,0,0,0,0|1,0,0]=3 12765 B15R0.3222 CCOC(=O)C(F)SCCCOCCOC 62a_100000760018_100011216529 [0,2,0,0,0,0|2,0,0]=4 12766 B15R0.3222 CCOC(=O)C(F)SCCCOCCOC 62a_100011216529_100000760018 [0,2,0,0,0,0|2,0,0]=4 12767 B15R0.3222 CCOC(=O)[C@H](C)OCCCCCCC#N 7a_100000751109_100009813337 [0,2,0,0,0,0|1,0,1]=4 12768 B15R0.3222 CCOC(=O)[C@H](C)OCCCCCCCO 7a_100000751109_100000760002 [0,2,0,0,0,0|1,0,0]=3 12769 B15R0.3222 CCOC(=O)[C@H](C)OCCCCCCOC 7a_100000751109_100011998445 [0,2,0,0,0,0|1,0,0]=3 12770 B15R0.3222 CCOC(=O)[C@H](C)OCCCOCCOC 7a_100000751109_100011216529 [0,2,0,0,0,0|2,0,0]=4 12771 B15R0.3222 CCOC(C)C(=O)CCCCCCCCO 1458a_100000739345_100000033203 [0,2,0,0,0,0|1,0,0]=3 12772 B15R0.3222 CCOC(C)C(=O)NCCCCCCCO 240690a_100011996573_100000739345 [0,2,0,0,0,0|2,0,0]=4 12773 B15R0.3222 CCOCCOCCNC(C)C(=O)OCC 2230a_100102712874_100011215307 [0,2,0,0,0,0|2,0,0]=4 12774 B15R0.3222 CCOCCOCCNC(C)C(=O)OCC 34a_100102712874_100011216346 [0,2,0,0,0,0|2,0,0]=4 12775 B15R0.3222 CCOCCOCCNC(F)C(=O)OCC 2230a_100102712874_100000760018 [0,2,0,0,0,0|2,0,0]=4 12776 B15R0.3222 CCOCCOCCNC(F)C(=O)OCC 34a_100102712874_100000760018 [0,2,0,0,0,0|2,0,0]=4 12777 B15R0.3222 CCOCCOCCOC(C)C(=O)OCC 34a_100000210240_100011216346 [0,2,0,0,0,0|2,0,0]=4 12778 B15R0.3222 CCOCCOCCOC(C)C(=O)OCC 7a_100000210240_100011216346 [0,2,0,0,0,0|2,0,0]=4 12779 B15R0.3222 CCOCCOCCOC(F)C(=O)OCC 34a_100000210240_100000760018 [0,2,0,0,0,0|2,0,0]=4 12780 B15R0.3222 CCOCCOCCOC(F)C(=O)OCC 7a_100000210240_100000040065 [0,2,0,0,0,0|2,0,0]=4 12781 B15R0.3222 CCOCCOCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011211534 [0,2,0,0,0,0|2,0,0]=4 12782 B15R0.3222 CCOCCOCCSC(C)C(=O)OCC 62a_100011211534_100011216346 [0,2,0,0,0,0|2,0,0]=4 12783 B15R0.3222 CCOCCOCCSC(C)C(=O)OCC 62a_100011216346_100011211534 [0,2,0,0,0,0|2,0,0]=4 12784 B15R0.3222 CCOCCOCCSC(F)C(=O)OCC 62a_100000760018_100011211534 [0,2,0,0,0,0|2,0,0]=4 12785 B15R0.3222 CCOCCOCCSC(F)C(=O)OCC 62a_100011211534_100000760018 [0,2,0,0,0,0|2,0,0]=4 12786 B15R0.3222 CCSC(=O)[C@H](C)NCCCCCCCO 2230a_100103168634_100000760002 [0,2,0,0,0,0|1,1,0]=4 12787 B15R0.3222 CCSC(=O)[C@H](C)NCCCCCCOC 2230a_100103168634_100011998445 [0,2,0,0,0,0|1,1,0]=4 12788 B15R0.3222 CCSC(C)C(=O)CCCCCCCCO 1458a_100000230601_100000033203 [0,2,0,0,0,0|1,1,0]=4 12789 B15R0.3222 CN(CCO)C(=O)CCCCCCCCO 240690a_100000210263_100000015970 [0,2,0,0,0,0|2,0,0]=4 12790 B15R0.3222 COCC(C)C(=O)CCCCCCCCO 1458a_100000751857_100000033203 [0,2,0,0,0,0|2,0,0]=4 12791 B15R0.3222 CSCC(C)C(=O)CCCCCCCCO 1458a_100000753918_100000033203 [0,2,0,0,0,0|2,0,0]=4 12792 B15R0.3245 C=C(C)CC(=O)C(O)CCCCCCCC 1458a_200011995895_100000748629 [0,2,0,0,0,0|1,0,1]=4 12793 B15R0.3245 CC(C)OC(=O)[C@@H](C)OCCCCCCF 34a_100015307928_100015922095 [0,2,0,0,0,0|2,0,0]=4 12794 B15R0.3245 CC(C)OC(=O)[C@@H](C)OCCCCCCF 7a_100015307928_100015922095 [0,2,0,0,0,0|2,0,0]=4 12795 B15R0.3245 CC(C)OC(=O)[C@@H](C)OCCCCCCO 34a_100015307928_100000766143 [0,2,0,0,0,0|2,0,0]=4 12796 B15R0.3245 CC(C)OC(=O)[C@@H](C)OCCCCCCO 7a_100015307928_100000766143 [0,2,0,0,0,0|2,0,0]=4 12797 B15R0.3245 CC(C)OC(=O)[C@@H](N)COCCCCCF 34a_100121572844_100000729378 [0,2,0,0,0,0|2,0,0]=4 12798 B15R0.3245 CC(C)OC(=O)[C@@H](N)COCCCCCO 34a_100121572844_100000746330 [0,2,0,0,0,0|2,0,0]=4 12799 B15R0.3245 CCCCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210759 [0,2,0,0,0,0|1,0,1]=4 12800 B15R0.3245 CCCCCCCCC(O)C(=O)CC(C)C 1458a_200011995895_100000210624 [0,2,0,0,0,0|1,0,0]=3 12801 B15R0.3245 CCCCCCCCC(O)C(=O)CC(C)O 1458a_200011995895_100011218427 [0,2,0,0,0,0|1,0,0]=3 12802 B15R0.3245 CCCCCCCCC(O)C(=O)CC(F)F 1458a_200011995895_100011934356 [0,2,0,0,0,0|2,0,0]=4 12803 B15R0.3245 CCCCCCCCC(O)C(=O)NC(C)C 240690a_100138425928_200011995895 [0,2,0,0,0,0|1,0,0]=3 12804 B15R0.3245 CCCCCCCCN(C)C(=O)CC(C)C 11a_100000207567_100000210554 [0,2,0,0,0,0|2,0,0]=4 12805 B15R0.3245 CCCCCCCCN(C)C(=O)CC(C)C 1626a_100000207567_100000210554 [0,2,0,0,0,0|2,0,0]=4 12806 B15R0.3245 CCCCCCCCN(C)C(=O)CC(C)C 240690a_100000207567_100000210554 [0,2,0,0,0,0|2,0,0]=4 12807 B15R0.3245 CCCCCCCCN(C)C(=O)CC(C)C 527a_100000207567_100000210554 [0,2,0,0,0,0|2,0,0]=4 12808 B15R0.3245 CCCCCCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207567_100011933948 [0,2,0,0,0,0|2,0,0]=4 12809 B15R0.3245 CCCCCCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000207567 [0,2,0,0,0,0|2,0,0]=4 12810 B15R0.3245 CCCCCCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000207567 [0,2,0,0,0,0|2,0,0]=4 12811 B15R0.3245 CCCCCCCNC(C)C(=O)NC(C)C 2230a_100000229938_100000195394 [0,2,0,0,0,0|2,0,0]=4 12812 B15R0.3245 CCCCCCCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210681 [0,2,0,0,0,0|2,0,0]=4 12813 B15R0.3245 CCCCCCCNC(C)C(=O)NC(C)C 34a_100015205314_100000210614 [0,2,0,0,0,0|2,0,0]=4 12814 B15R0.3245 CCCCCCCOC(C)C(=O)NC(C)C 34a_100000210272_100000195394 [0,2,0,0,0,0|2,0,0]=4 12815 B15R0.3245 CCCCCCCOC(C)C(=O)NC(C)C 7a_100000210272_100000195394 [0,2,0,0,0,0|2,0,0]=4 12816 B15R0.3245 CCCCCCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210614 [0,2,0,0,0,0|1,0,0]=3 12817 B15R0.3245 CCCCCCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210614 [0,2,0,0,0,0|1,0,0]=3 12818 B15R0.3245 CCCCCCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210316 [0,2,0,0,0,0|2,0,0]=4 12819 B15R0.3245 CCCCCCCSC(C)C(=O)NC(C)C 62a_100000210614_100000195394 [0,2,0,0,0,0|2,0,0]=4 12820 B15R0.3245 CCCCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210314 [0,2,0,0,0,0|1,0,0]=3 12821 B15R0.3245 CCCCOCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000743108 [0,2,0,0,0,0|2,0,0]=4 12822 B15R0.3245 CCCCOCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000743108 [0,2,0,0,0,0|2,0,0]=4 12823 B15R0.3245 CCCCOCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100011995733 [0,2,0,0,0,0|2,0,0]=4 12824 B15R0.3245 CCCOCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100011215938 [0,2,0,0,0,0|2,0,0]=4 12825 B15R0.3245 CCOCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100012232248 [0,2,0,0,0,0|2,0,0]=4 12826 B15R0.3245 COCCCCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000755781 [0,2,0,0,0,0|2,0,0]=4 12827 B15R0.3282 C=C(COC(C)CCCCC)C(=O)OCC 34a_100011215632_100000755967 [0,2,0,0,0,0|1,0,1]=4 12828 B15R0.3282 C=C(COC(C)CCCCC)C(=O)OCC 7a_100011215632_100000755967 [0,2,0,0,0,0|1,0,1]=4 12829 B15R0.3282 C=C(CSC(C)CCCCC)C(=O)OCC 62a_100000755967_200011218191 [0,2,0,0,0,0|1,0,1]=4 12830 B15R0.3282 C=C(CSC(C)CCCCC)C(=O)OCC 62a_200011218191_100000755967 [0,2,0,0,0,0|1,0,1]=4 12831 B15R0.3282 CCCCCC(=O)CO[C@@H](C)C(=O)OCC 7a_100000751109_200012276598 [0,2,0,0,0,0|1,0,1]=4 12832 B15R0.3282 CCCCCC(=O)CSC(C)C(=O)OCC 62a_100011216346_200012276598 [0,2,0,0,0,0|1,0,1]=4 12833 B15R0.3282 CCCCCC(=O)CSC(C)C(=O)OCC 62a_200012276598_100011216346 [0,2,0,0,0,0|1,0,1]=4 12834 B15R0.3282 CCCCCC(=O)CSC(F)C(=O)OCC 62a_100000760018_200012276598 [0,2,0,0,0,0|1,0,1]=4 12835 B15R0.3282 CCCCCC(=O)CSC(F)C(=O)OCC 62a_200012276598_100000760018 [0,2,0,0,0,0|1,0,1]=4 12836 B15R0.3282 CCCCCC(C)SCC(=O)C(=O)OCC 62a_100000211299_200011218191 [0,2,0,0,0,0|1,0,1]=4 12837 B15R0.3282 CCCCCC(C)SCC(=O)C(=O)OCC 62a_200011218191_100000211299 [0,2,0,0,0,0|1,0,1]=4 12838 B15R0.3282 CCOC(=O)C(C)OC[C@@H](N)CCCCN 34a_100016993712_100011216346 [0,2,0,0,0,0|2,0,0]=4 12839 B15R0.3282 CCOC(=O)C(F)OC[C@@H](N)CCCCN 34a_100016993712_100000760018 [0,2,0,0,0,0|2,0,0]=4 12840 B15R0.4413 CCCCCCCNC(C)(C)C(=O)OCC 2230a_100000229938_100011216345 [0,2,0,0,0,0|1,0,0]=3 12841 B15R0.4413 CCCCCCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210614 [0,2,0,0,0,0|1,0,0]=3 12842 B15R0.4413 CCCCCCCOC(C)(C)C(=O)OCC 7a_100000210272_100011216345 [0,2,0,0,0,0|1,0,0]=3 12843 B15R0.4413 CCCCCCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210614 [0,2,0,0,0,0|1,0,0]=3 12844 B15R0.4413 CCCCCCCOC(F)(F)C(=O)OCC 34a_100000210272_100000210910 [0,2,0,0,0,0|1,0,0]=3 12845 B15R0.4413 CCCCCCCOC(F)(F)C(=O)OCC 7a_100000210272_100000210910 [0,2,0,0,0,0|1,0,0]=3 12846 B15R0.4413 CCCCCCCSC(C)(C)C(=O)OCC 62a_100000210614_100011216345 [0,2,0,0,0,0|1,0,0]=3 12847 B15R0.4413 CCCCCCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210316 [0,2,0,0,0,0|1,0,0]=3 12848 B15R0.4413 CCCCCCCSC(F)(F)C(=O)OCC 62a_100000210614_100000210910 [0,2,0,0,0,0|1,0,0]=3 12849 B15R0.4413 CCCCCCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210316 [0,2,0,0,0,0|1,0,0]=3 12850 B15R0.4413 CCCCCCNCC(C)(C)C(=O)OCC 2230a_100000210581_100011219049 [0,2,0,0,0,0|1,0,0]=3 12851 B15R0.4413 CCCCCCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210314 [0,2,0,0,0,0|1,0,0]=3 12852 B15R0.4413 CCCCCCOCC(F)(F)C(=O)OCC 34a_100000210259_100009817193 [0,2,0,0,0,0|1,0,0]=3 12853 B15R0.4413 CCCCCCSCC(C)(C)C(=O)NCC 62a_100000210314_100011895991 [0,2,0,0,0,0|2,0,0]=4 12854 B15R0.4413 CCCCCCSCC(C)(C)C(=O)NCC 62a_100011895991_100000210757 [0,2,0,0,0,0|2,0,0]=4 12855 B15R0.4413 CCCCCCSCC(C)(C)C(=O)OCC 62a_100000210314_100011219049 [0,2,0,0,0,0|1,0,0]=3 12856 B15R0.4413 CCCCCCSCC(C)(C)C(=O)OCC 62a_100011219049_100000210757 [0,2,0,0,0,0|1,0,0]=3 12857 B15R0.4413 CCCCCCSCC(F)(F)C(=O)OCC 62a_100000210314_100009817193 [0,2,0,0,0,0|1,0,0]=3 12858 B15R0.4413 CCCCCCSCC(F)(F)C(=O)OCC 62a_100009817193_100000210757 [0,2,0,0,0,0|1,0,0]=3 12859 B15R0.4413 CCCCOCCOC(C)(C)C(=O)OCC 34a_100000686869_100000743108 [0,2,0,0,0,0|2,0,0]=4 12860 B15R0.4413 CCCCOCCOC(C)(C)C(=O)OCC 7a_100000210238_100011216345 [0,2,0,0,0,0|2,0,0]=4 12861 B15R0.4413 CCCCOCCOC(C)(C)C(=O)OCC 7a_100000686869_100000743108 [0,2,0,0,0,0|2,0,0]=4 12862 B15R0.4413 CCCCOCCOC(F)(F)C(=O)OCC 34a_100000210238_100000210910 [0,2,0,0,0,0|2,0,0]=4 12863 B15R0.4413 CCCCOCCOC(F)(F)C(=O)OCC 7a_100000210238_100000210910 [0,2,0,0,0,0|2,0,0]=4 12864 B15R0.4413 CCCCOCCSC(C)(C)C(=O)OCC 62a_100000743108_100011216345 [0,2,0,0,0,0|2,0,0]=4 12865 B15R0.4413 CCCCOCCSC(C)(C)C(=O)OCC 62a_100011216345_100000743108 [0,2,0,0,0,0|2,0,0]=4 12866 B15R0.4413 CCCCOCCSC(F)(F)C(=O)OCC 62a_100000210910_100000743108 [0,2,0,0,0,0|2,0,0]=4 12867 B15R0.4413 CCCCOCCSC(F)(F)C(=O)OCC 62a_100000743108_100000210910 [0,2,0,0,0,0|2,0,0]=4 12868 B15R0.4413 CCCCOCSCC(C)(C)C(=O)OCC 62a_100011219049_100011995733 [0,2,0,0,0,0|2,0,0]=4 12869 B15R0.4413 CCCCOCSCC(C)(C)C(=O)OCC 62a_100011995733_100011219049 [0,2,0,0,0,0|2,0,0]=4 12870 B15R0.4413 CCCCOCSCC(F)(F)C(=O)OCC 62a_100009817193_100011995733 [0,2,0,0,0,0|2,0,0]=4 12871 B15R0.4413 CCCCOCSCC(F)(F)C(=O)OCC 62a_100011995733_100009817193 [0,2,0,0,0,0|2,0,0]=4 12872 B15R0.4413 CCCCSCCNC(C)(C)C(=O)OCC 2230a_100025743550_100011216345 [0,2,0,0,0,0|2,0,0]=4 12873 B15R0.4413 CCCCSCCOC(C)(C)C(=O)OCC 7a_200000230436_100011216345 [0,2,0,0,0,0|2,0,0]=4 12874 B15R0.4413 CCCCSCCOC(F)(F)C(=O)OCC 34a_200000230436_100000210910 [0,2,0,0,0,0|2,0,0]=4 12875 B15R0.4413 CCCCSCCOC(F)(F)C(=O)OCC 7a_200000230436_100000210910 [0,2,0,0,0,0|2,0,0]=4 12876 B15R0.4413 CCCOCCCCC(C)(C)C(=O)OCC 34a_100000210258_100010737182 [0,2,0,0,0,0|1,0,0]=3 12877 B15R0.4413 CCCOCCCNC(C)(C)C(=O)OCC 2230a_100011217757_100011216345 [0,2,0,0,0,0|2,0,0]=4 12878 B15R0.4413 CCCOCCCNC(F)(F)C(=O)OCC 34a_100011217757_100000210910 [0,2,0,0,0,0|2,0,0]=4 12879 B15R0.4413 CCCOCCNCC(C)(C)C(=O)OCC 2230a_100161115042_100011219049 [0,2,0,0,0,0|2,0,0]=4 12880 B15R0.4413 CCCOCCNCC(F)(F)C(=O)OCC 34a_100161115042_100009817193 [0,2,0,0,0,0|2,0,0]=4 12881 B15R0.4413 CCCOCCOCC(C)(C)C(=O)OCC 7a_100011765865_100011215938 [0,2,0,0,0,0|2,0,0]=4 12882 B15R0.4413 CCCOCCOCC(F)(F)C(=O)OCC 34a_100000752267_100009817193 [0,2,0,0,0,0|2,0,0]=4 12883 B15R0.4413 CCCOCCSCC(C)(C)C(=O)OCC 62a_100011215938_100011219049 [0,2,0,0,0,0|2,0,0]=4 12884 B15R0.4413 CCCOCCSCC(C)(C)C(=O)OCC 62a_100011219049_100011215938 [0,2,0,0,0,0|2,0,0]=4 12885 B15R0.4413 CCCOCCSCC(F)(F)C(=O)OCC 62a_100009817193_100011215938 [0,2,0,0,0,0|2,0,0]=4 12886 B15R0.4413 CCCOCCSCC(F)(F)C(=O)OCC 62a_100011215938_100009817193 [0,2,0,0,0,0|2,0,0]=4 12887 B15R0.4413 CCCSCCCCC(C)(C)C(=O)OCC 62a_100000210303_100010737182 [0,2,0,0,0,0|1,0,0]=3 12888 B15R0.4413 CCCSCCCCC(C)(C)C(=O)OCC 62a_100010737182_100000210303 [0,2,0,0,0,0|1,0,0]=3 12889 B15R0.4413 CCCSCCNCC(C)(C)C(=O)OCC 2230a_100020603323_100011219049 [0,2,0,0,0,0|2,0,0]=4 12890 B15R0.4413 CCCSCCOCC(F)(F)C(=O)OCC 34a_200000230433_100009817193 [0,2,0,0,0,0|2,0,0]=4 12891 B15R0.4413 CCNCCCCCC(C)(C)C(=O)OCC 2230a_100015525214_100010999646 [0,2,0,0,0,0|1,0,0]=3 12892 B15R0.4413 CCOC(=O)C(C)(C)CCCCCSCC 62a_100000210202_100010999646 [0,2,0,0,0,0|1,0,0]=3 12893 B15R0.4413 CCOC(=O)C(C)(C)CCCCCSCC 62a_100010999646_100000210202 [0,2,0,0,0,0|1,0,0]=3 12894 B15R0.4413 CCOC(=O)C(C)(C)CCCCCSCF 62a_100010999646_100015361967 [0,2,0,0,0,0|2,0,0]=4 12895 B15R0.4413 CCOC(=O)C(C)(C)CCCCCSCF 62a_100015361967_100010999646 [0,2,0,0,0,0|2,0,0]=4 12896 B15R0.4413 CCOC(=O)C(C)(C)CCCCNCCF 34a_100000724931_100010737182 [0,2,0,0,0,0|2,0,0]=4 12897 B15R0.4413 CCOC(=O)C(C)(C)CCCCNCCO 2230a_100016997473_100010737182 [0,2,0,0,0,0|2,0,0]=4 12898 B15R0.4413 CCOC(=O)C(C)(C)CCCCNCCO 34a_100016990907_100010737182 [0,2,0,0,0,0|2,0,0]=4 12899 B15R0.4413 CCOC(=O)C(C)(C)CCCCOCCBr 34a_100000211926_100010737182 [0,2,0,0,0,0|2,0,0]=4 12900 B15R0.4413 CCOC(=O)C(C)(C)CCCCOCCN 34a_100000210304_100010737182 [0,2,0,0,0,0|2,0,0]=4 12901 B15R0.4413 CCOC(=O)C(C)(C)CCCCSCCF 62a_100010737182_100011217306 [0,2,0,0,0,0|2,0,0]=4 12902 B15R0.4413 CCOC(=O)C(C)(C)CCCCSCCF 62a_100011217306_100010737182 [0,2,0,0,0,0|2,0,0]=4 12903 B15R0.4413 CCOC(=O)C(C)(C)CCCCSCCO 62a_100000211926_100010737182 [0,2,0,0,0,0|2,0,0]=4 12904 B15R0.4413 CCOC(=O)C(C)(C)CCCCSCCO 62a_100010737182_100000211926 [0,2,0,0,0,0|2,0,0]=4 12905 B15R0.4413 CCOC(=O)C(C)(C)CCCCSCOC 62a_100000766300_100010737182 [0,2,0,0,0,0|2,0,0]=4 12906 B15R0.4413 CCOC(=O)C(C)(C)CCCCSCOC 62a_100010737182_100000766300 [0,2,0,0,0,0|2,0,0]=4 12907 B15R0.4413 CCOC(=O)C(C)(C)CCCCSCSC 62a_100010737182_100011218213 [0,2,0,0,0,0|2,0,0]=4 12908 B15R0.4413 CCOC(=O)C(C)(C)CCCCSCSC 62a_100011218213_100010737182 [0,2,0,0,0,0|2,0,0]=4 12909 B15R0.4413 CCOC(=O)C(C)(C)CNCCCCCO 2230a_100000762737_100011219049 [0,2,0,0,0,0|2,0,0]=4 12910 B15R0.4413 CCOC(=O)C(C)(C)COCCCCCF 7a_100011765865_100000729378 [0,2,0,0,0,0|2,0,0]=4 12911 B15R0.4413 CCOC(=O)C(C)(C)COCCCCCO 7a_100011765865_100000746330 [0,2,0,0,0,0|2,0,0]=4 12912 B15R0.4413 CCOC(=O)C(C)(C)COCCCCOC 7a_100011765865_100000730899 [0,2,0,0,0,0|2,0,0]=4 12913 B15R0.4413 CCOC(=O)C(C)(C)CSCCCCCF 62a_100000729378_100011219049 [0,2,0,0,0,0|2,0,0]=4 12914 B15R0.4413 CCOC(=O)C(C)(C)CSCCCCCF 62a_100011219049_100000729378 [0,2,0,0,0,0|2,0,0]=4 12915 B15R0.4413 CCOC(=O)C(C)(C)CSCCCCCO 62a_100000746330_100011219049 [0,2,0,0,0,0|2,0,0]=4 12916 B15R0.4413 CCOC(=O)C(C)(C)CSCCCCCO 62a_100011219049_100000746330 [0,2,0,0,0,0|2,0,0]=4 12917 B15R0.4413 CCOC(=O)C(C)(C)CSCCCCOC 62a_100000730899_100011219049 [0,2,0,0,0,0|2,0,0]=4 12918 B15R0.4413 CCOC(=O)C(C)(C)CSCCCCOC 62a_100011219049_100000730899 [0,2,0,0,0,0|2,0,0]=4 12919 B15R0.4413 CCOC(=O)C(C)(C)NCCCCCCO 2230a_100000686447_100011216345 [0,2,0,0,0,0|2,0,0]=4 12920 B15R0.4413 CCOC(=O)C(C)(C)NCCCCCOC 2230a_100000747528_100011216345 [0,2,0,0,0,0|2,0,0]=4 12921 B15R0.4413 CCOC(=O)C(C)(C)OCCCCCCBr 7a_100011215345_100011216345 [0,2,0,0,0,0|2,0,0]=4 12922 B15R0.4413 CCOC(=O)C(C)(C)OCCCCCCCl 7a_100000766143_100011216345 [0,2,0,0,0,0|2,0,0]=4 12923 B15R0.4413 CCOC(=O)C(C)(C)OCCCCCCF 34a_100000686869_100015922095 [0,2,0,0,0,0|2,0,0]=4 12924 B15R0.4413 CCOC(=O)C(C)(C)OCCCCCCF 7a_100000686869_100015922095 [0,2,0,0,0,0|2,0,0]=4 12925 B15R0.4413 CCOC(=O)C(C)(C)OCCCCCCF 7a_100000732779_100011216345 [0,2,0,0,0,0|2,0,0]=4 12926 B15R0.4413 CCOC(=O)C(C)(C)OCCCCCCO 34a_100000686869_100000766143 [0,2,0,0,0,0|2,0,0]=4 12927 B15R0.4413 CCOC(=O)C(C)(C)OCCCCCCO 7a_100000686869_100000766143 [0,2,0,0,0,0|2,0,0]=4 12928 B15R0.4413 CCOC(=O)C(C)(C)SCCCCCCF 62a_100011216345_100015922095 [0,2,0,0,0,0|2,0,0]=4 12929 B15R0.4413 CCOC(=O)C(C)(C)SCCCCCCF 62a_100015922095_100011216345 [0,2,0,0,0,0|2,0,0]=4 12930 B15R0.4413 CCOC(=O)C(C)(C)SCCCCCCO 62a_100000766143_100011216345 [0,2,0,0,0,0|2,0,0]=4 12931 B15R0.4413 CCOC(=O)C(C)(C)SCCCCCCO 62a_100011216345_100000766143 [0,2,0,0,0,0|2,0,0]=4 12932 B15R0.4413 CCOC(=O)C(F)(F)CNCCCCCO 34a_100000762737_100009817193 [0,2,0,0,0,0|2,0,0]=4 12933 B15R0.4413 CCOC(=O)C(F)(F)COCCCCCBr 34a_100000746331_100009817193 [0,2,0,0,0,0|2,0,0]=4 12934 B15R0.4413 CCOC(=O)C(F)(F)COCCCCCCl 34a_100000746330_100009817193 [0,2,0,0,0,0|2,0,0]=4 12935 B15R0.4413 CCOC(=O)C(F)(F)COCCCCCI 34a_200012148887_100009817193 [0,2,0,0,0,0|2,0,0]=4 12936 B15R0.4413 CCOC(=O)C(F)(F)COCCCCCN 34a_100000762737_100009817193 [0,2,0,0,0,0|2,0,0]=4 12937 B15R0.4413 CCOC(=O)C(F)(F)COCCCCOC 34a_100000740925_100009817193 [0,2,0,0,0,0|2,0,0]=4 12938 B15R0.4413 CCOC(=O)C(F)(F)COCCCCSC 34a_100011217163_100009817193 [0,2,0,0,0,0|2,0,0]=4 12939 B15R0.4413 CCOC(=O)C(F)(F)COCCCSCC 34a_100011216438_100009817193 [0,2,0,0,0,0|2,0,0]=4 12940 B15R0.4413 CCOC(=O)C(F)(F)CSCCCCCF 62a_100000729378_100009817193 [0,2,0,0,0,0|2,0,0]=4 12941 B15R0.4413 CCOC(=O)C(F)(F)CSCCCCCF 62a_100009817193_100000729378 [0,2,0,0,0,0|2,0,0]=4 12942 B15R0.4413 CCOC(=O)C(F)(F)CSCCCCCO 62a_100000746330_100009817193 [0,2,0,0,0,0|2,0,0]=4 12943 B15R0.4413 CCOC(=O)C(F)(F)CSCCCCCO 62a_100009817193_100000746330 [0,2,0,0,0,0|2,0,0]=4 12944 B15R0.4413 CCOC(=O)C(F)(F)CSCCCCOC 62a_100000730899_100009817193 [0,2,0,0,0,0|2,0,0]=4 12945 B15R0.4413 CCOC(=O)C(F)(F)CSCCCCOC 62a_100009817193_100000730899 [0,2,0,0,0,0|2,0,0]=4 12946 B15R0.4413 CCOC(=O)C(F)(F)NCCCCCCO 34a_100000686447_100000210910 [0,2,0,0,0,0|2,0,0]=4 12947 B15R0.4413 CCOC(=O)C(F)(F)NCCCCCOC 34a_100000747528_100000210910 [0,2,0,0,0,0|2,0,0]=4 12948 B15R0.4413 CCOC(=O)C(F)(F)OCCCCCCBr 34a_100011215345_100000210910 [0,2,0,0,0,0|2,0,0]=4 12949 B15R0.4413 CCOC(=O)C(F)(F)OCCCCCCBr 7a_100011215345_100000210910 [0,2,0,0,0,0|2,0,0]=4 12950 B15R0.4413 CCOC(=O)C(F)(F)OCCCCCCCl 34a_100000766143_100000210910 [0,2,0,0,0,0|2,0,0]=4 12951 B15R0.4413 CCOC(=O)C(F)(F)OCCCCCCCl 7a_100000766143_100000210910 [0,2,0,0,0,0|2,0,0]=4 12952 B15R0.4413 CCOC(=O)C(F)(F)OCCCCCCF 34a_100000732779_100000210910 [0,2,0,0,0,0|2,0,0]=4 12953 B15R0.4413 CCOC(=O)C(F)(F)OCCCCCCF 7a_100000732779_100000210910 [0,2,0,0,0,0|2,0,0]=4 12954 B15R0.4413 CCOC(=O)C(F)(F)OCCCCCCN 34a_100000686447_100000210910 [0,2,0,0,0,0|2,0,0]=4 12955 B15R0.4413 CCOC(=O)C(F)(F)OCCCCCNC 34a_100000722520_100000210910 [0,2,0,0,0,0|2,0,0]=4 12956 B15R0.4413 CCOC(=O)C(F)(F)SCCCCCCF 62a_100000210910_100015922095 [0,2,0,0,0,0|2,0,0]=4 12957 B15R0.4413 CCOC(=O)C(F)(F)SCCCCCCF 62a_100015922095_100000210910 [0,2,0,0,0,0|2,0,0]=4 12958 B15R0.4413 CCOC(=O)C(F)(F)SCCCCCCO 62a_100000210910_100000766143 [0,2,0,0,0,0|2,0,0]=4 12959 B15R0.4413 CCOC(=O)C(F)(F)SCCCCCCO 62a_100000766143_100000210910 [0,2,0,0,0,0|2,0,0]=4 12960 B15R0.4413 CCOCCCCCC(C)(C)C(=O)OCC 34a_100121572206_100010999646 [0,2,0,0,0,0|1,0,0]=3 12961 B15R0.4413 CCOCCCNCC(C)(C)C(=O)OCC 2230a_100000210961_100011219049 [0,2,0,0,0,0|2,0,0]=4 12962 B15R0.4413 CCOCCCNCC(F)(F)C(=O)OCC 34a_100000210961_100009817193 [0,2,0,0,0,0|2,0,0]=4 12963 B15R0.4413 CCOCCCOCC(C)(C)C(=O)OCC 7a_100011765865_100012232248 [0,2,0,0,0,0|2,0,0]=4 12964 B15R0.4413 CCOCCCOCC(F)(F)C(=O)OCC 34a_100000757476_100009817193 [0,2,0,0,0,0|2,0,0]=4 12965 B15R0.4413 CCOCCCSCC(C)(C)C(=O)OCC 62a_100011219049_100012232248 [0,2,0,0,0,0|2,0,0]=4 12966 B15R0.4413 CCOCCCSCC(C)(C)C(=O)OCC 62a_100012232248_100011219049 [0,2,0,0,0,0|2,0,0]=4 12967 B15R0.4413 CCOCCCSCC(F)(F)C(=O)OCC 62a_100009817193_100012232248 [0,2,0,0,0,0|2,0,0]=4 12968 B15R0.4413 CCOCCCSCC(F)(F)C(=O)OCC 62a_100012232248_100009817193 [0,2,0,0,0,0|2,0,0]=4 12969 B15R0.3228 CCCCCCCCNCC(CC)OCC 2230a_100015183923_100000210759 [0,2,0,0,0,0|1,0,1]=4 12970 B15R0.3228 CCCCCCCCNCC(CC)OCC 34a_100015183923_100000210759 [0,2,0,0,0,0|1,0,1]=4 12971 B15R0.5056 C#CC(C)(CCCCCCCCC)OCC 34a_100000034731_100000210202 [0,2,0,0,0,0|1,0,1]=4 12972 B15R0.5056 C#CC(C)(CCCCCCCCC)OCC 7a_100000034731_100000210202 [0,2,0,0,0,0|1,0,1]=4 12973 B15R0.60 CCCCC(C)C(=O)CCCC(=O)NCC 1458a_100000199580_200011215066 [0,2,0,0,0,0|1,0,1]=4 12974 B15R0.60 CCCCC(C)C(=O)CCCC(=O)OCC 1458a_100000210991_200011215066 [0,2,0,0,0,0|0,0,1]=3 12975 B15R0.60 CCCCC(C)C(=O)CCCC(=O)OCC 1458a_100000725509_100011215271 [0,2,0,0,0,0|0,0,1]=3 12976 B15R0.60 CCCCC(C)C(=O)CCNC(=O)OCC 1458a_100000725509_200011445536 [0,2,0,0,0,0|1,0,1]=4 12977 B15R0.60 CCCCC(C)C(=O)NCCC(=O)OCC 188690a_100000746078_100000725509 [0,2,0,0,0,0|1,0,1]=4 12978 B15R0.60 CCCCC(O)C(=O)CCCC(=O)OCC 1458a_100000720857_100011215271 [0,2,0,0,0,0|0,0,1]=3 12979 B15R0.60 CCCCC(O)C(=O)CCNC(=O)OCC 1458a_100000720857_200011445536 [0,2,0,0,0,0|1,0,1]=4 12980 B15R0.60 CCCCC(O)C(=O)NCCC(=O)OCC 188690a_100000746078_100000720857 [0,2,0,0,0,0|1,0,1]=4 12981 B15R0.60 CCCCN(C)C(=O)CCCC(=O)OCC 11a_100000207549_100000210991 [0,2,0,0,0,0|1,0,1]=4 12982 B15R0.60 CCCCN(C)C(=O)CCCC(=O)OCC 1626a_100000207549_100000210991 [0,2,0,0,0,0|1,0,1]=4 12983 B15R0.60 CCCCN(C)C(=O)CCCC(=O)OCC 240690a_100000207549_100000210991 [0,2,0,0,0,0|1,0,1]=4 12984 B15R0.60 CCCCN(C)C(=O)CCCC(=O)OCC 527a_100000207549_100000210991 [0,2,0,0,0,0|1,0,1]=4 12985 B15R0.60 CCOC(=O)CCCC(=O)C(O)CCSC 1458a_100000685904_100011215271 [0,2,0,0,0,0|1,0,1]=4 12986 B15R0.204 CC(C)OC(=O)CCNC[C@H](C)CCCO 2230a_100160569302_100000760027 [0,2,0,0,0,0|2,0,0]=4 12987 B15R0.204 CCCCC(C)COCCC(=O)NC(C)C 7a_100011995851_100000737564 [0,2,0,0,0,0|2,0,0]=4 12988 B15R0.204 CCCCC(C)COCCC(=O)OC(C)C 7a_100011995851_100000760027 [0,2,0,0,0,0|1,0,0]=3 12989 B15R0.204 CCCOC(C)CNCCC(=O)OC(C)C 2230a_100015185124_100000760027 [0,2,0,0,0,0|2,0,0]=4 12990 B15R0.204 CCOCC(O)CNCCC(=O)OC(C)C 2230a_102515437182_100000760027 [0,2,0,0,0,0|2,0,0]=4 12991 B15R0.244 C#CCCCC(=O)CCCCC(=O)OCC 1458a_100000690238_100000750268 [0,2,0,0,0,0|0,0,2]=4 12992 B15R0.244 C#CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000731252 [0,2,0,0,0,0|0,0,2]=4 12993 B15R0.244 C=CCCCC(=O)CCCCC(=O)OCC 1458a_100000766728_100000750268 [0,2,0,0,0,0|0,0,2]=4 12994 B15R0.244 C=CCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000757094 [0,2,0,0,0,0|0,0,2]=4 12995 B15R0.244 CC/C=C/CC(=O)CCCCC(=O)OCC 1458a_100016274230_100000750268 [0,2,0,0,0,0|0,0,2]=4 12996 B15R0.244 CC/C=C\CC(=O)CCCCC(=O)OCC 1458a_100011217402_100103147603 [0,2,0,0,0,0|0,0,2]=4 12997 B15R0.244 CCC#CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100009813939 [0,2,0,0,0,0|0,0,2]=4 12998 B15R0.244 CCC#CCC(C)OCCCC(=O)OCC 34a_200000035118_100009991533 [0,2,0,0,0,0|0,0,2]=4 12999 B15R0.244 CCC#CCC(C)OCCCC(=O)OCC 7a_200000035118_100011215271 [0,2,0,0,0,0|0,0,2]=4 13000 B15R0.244 CCCC#CC(=O)CCCCC(=O)OCC 1458a_200011218047_100000750268 [0,2,0,0,0,0|0,0,2]=4 13001 B15R0.244 CCCC=CC(=O)CCCCC(=O)OCC 1458a_100000212230_100000750268 [0,2,0,0,0,0|0,0,2]=4 13002 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100000212188_100000750268 [0,2,0,0,0,0|0,0,0]=2 13003 B15R0.244 CCCCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000210326 [0,2,0,0,0,0|0,0,0]=2 13004 B15R0.244 CCCCCC(=O)CCOCC(=O)OCC 1458a_100000212188_100000088970 [0,2,0,0,0,0|0,0,1]=3 13005 B15R0.244 CCCCCC(=O)CNCCC(=O)NCC 34a_100025743525_200012276598 [0,2,0,0,0,0|1,0,1]=4 13006 B15R0.244 CCCCCC(=O)CSCCC(=O)NCC 62a_100000737597_200012276598 [0,2,0,0,0,0|1,0,1]=4 13007 B15R0.244 CCCCCC(=O)CSCCC(=O)NCC 62a_200012276598_100000737597 [0,2,0,0,0,0|1,0,1]=4 13008 B15R0.244 CCCCCC(=O)CSCCC(=O)OCC 62a_100000765890_200012276598 [0,2,0,0,0,0|0,0,1]=3 13009 B15R0.244 CCCCCC(=O)CSCCC(=O)OCC 62a_200012276598_100000765890 [0,2,0,0,0,0|0,0,1]=3 13010 B15R0.244 CCCCCC(=O)CSCOC(=O)OCC 62a_200012276598_100000075025 [0,2,0,0,0,0|1,0,1]=4 13011 B15R0.244 CCCCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000212188 [0,2,0,0,0,0|0,0,1]=3 13012 B15R0.244 CCCCCC(C)NC/C=C/C(=O)OCC 2230a_100000211957_100016267167 [0,2,0,0,0,0|0,0,2]=4 13013 B15R0.244 CCCCCC(C)NCCCC(=O)OCC 2230a_100000211957_100009991533 [0,2,0,0,0,0|0,0,0]=2 13014 B15R0.244 CCCCCC(C)OC/C=C/C(=O)OCC 34a_100011215632_100016267167 [0,2,0,0,0,0|0,0,2]=4 13015 B15R0.244 CCCCCC(C)OC/C=C/C(=O)OCC 7a_100011215632_100016267167 [0,2,0,0,0,0|0,0,2]=4 13016 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 34a_100011215632_100009991533 [0,2,0,0,0,0|0,0,0]=2 13017 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100011215632_100011215271 [0,2,0,0,0,0|0,0,0]=2 13018 B15R0.244 CCCCCC(C)OCCCC(=O)OCC 7a_100012001163_200011218191 [0,2,0,0,0,0|0,0,0]=2 13019 B15R0.244 CCCCCC(C)OCCNC(=O)OCC 34a_100000158857_200011218191 [0,2,0,0,0,0|1,0,0]=3 13020 B15R0.244 CCCCCC(C)OCCNC(=O)OCC 7a_100011215632_200011445536 [0,2,0,0,0,0|1,0,0]=3 13021 B15R0.244 CCCCCC(C)SC/C=C/C(=O)OCC 62a_100016267167_200011218191 [0,2,0,0,0,0|0,0,2]=4 13022 B15R0.244 CCCCCC(C)SC/C=C/C(=O)OCC 62a_200011218191_100016267167 [0,2,0,0,0,0|0,0,2]=4 13023 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_100009991533_200011218191 [0,2,0,0,0,0|0,0,0]=2 13024 B15R0.244 CCCCCC(C)SCCCC(=O)OCC 62a_200011218191_100009991533 [0,2,0,0,0,0|0,0,0]=2 13025 B15R0.244 CCCCCC(C)SCCNC(=O)OCC 62a_200011218191_200011445536 [0,2,0,0,0,0|1,0,0]=3 13026 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 2230a_100000223495_100000750268 [0,2,0,0,0,0|0,0,0]=2 13027 B15R0.244 CCCCCN(C)CCCCC(=O)OCC 269982a_100000223495_100000750268 [0,2,0,0,0,0|0,0,0]=2 13028 B15R0.244 CCCCCN(C)CCOCC(=O)OCC 2230a_100000223495_100000088970 [0,2,0,0,0,0|1,0,0]=3 13029 B15R0.244 CCCCCN(C)CCOCC(=O)OCC 269982a_100000223495_100000088970 [0,2,0,0,0,0|1,0,0]=3 13030 B15R0.244 CCCCNC(=O)CCCCC(=O)OCC 11a_100000102301_100011217402 [0,2,0,0,0,0|0,0,1]=3 13031 B15R0.244 CCCCNC(=O)CCCCC(=O)OCC 1626a_100000102301_100011217402 [0,2,0,0,0,0|0,0,1]=3 13032 B15R0.244 CCCCNC(=O)CCCCC(=O)OCC 240690a_100000102301_100011217402 [0,2,0,0,0,0|0,0,1]=3 13033 B15R0.244 CCCCNC(=O)CCCCC(=O)OCC 527a_100000102301_100011217402 [0,2,0,0,0,0|0,0,1]=3 13034 B15R0.244 CCCCNC(=O)CSCCC(=O)OCC 62a_100000182744_100000765890 [0,2,0,0,0,0|1,0,1]=4 13035 B15R0.244 CCCCNC(=O)CSCCC(=O)OCC 62a_100000765890_100000182744 [0,2,0,0,0,0|1,0,1]=4 13036 B15R0.244 CCCCOC(=O)CSCCC(=O)OCC 62a_100000211628_100000765890 [0,2,0,0,0,0|1,0,1]=4 13037 B15R0.244 CCCCOC(=O)CSCCC(=O)OCC 62a_100000765890_100000211628 [0,2,0,0,0,0|1,0,1]=4 13038 B15R0.244 CCCNNC(=O)CCCCC(=O)OCC 22a_100000740057_100011217402 [0,2,0,0,0,0|1,0,1]=4 13039 B15R0.244 CCCOCC(=O)CCCCC(=O)OCC 1458a_100000745993_100000750268 [0,2,0,0,0,0|0,0,1]=3 13040 B15R0.244 CCCOCC(=O)CCOCC(=O)OCC 1458a_100000745993_100000088970 [0,2,0,0,0,0|1,0,1]=4 13041 B15R0.244 CCCOCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000745993 [0,2,0,0,0,0|1,0,1]=4 13042 B15R0.244 CCCOCC(=O)NCCCC(=O)OCC 34a_100000210258_100000183181 [0,2,0,0,0,0|1,0,1]=4 13043 B15R0.244 CCCSCC(=O)CCCCC(=O)OCC 1458a_100000217233_100000750268 [0,2,0,0,0,0|0,0,1]=3 13044 B15R0.244 CCCSCC(=O)CCOCC(=O)OCC 1458a_100000217233_100000088970 [0,2,0,0,0,0|1,0,1]=4 13045 B15R0.244 CCCSCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000217233 [0,2,0,0,0,0|1,0,1]=4 13046 B15R0.244 CCCSCC(=O)NCCCC(=O)OCC 62a_100000183181_100000210303 [0,2,0,0,0,0|1,0,1]=4 13047 B15R0.244 CCCSCC(=O)NCCCC(=O)OCC 62a_100000210303_100000183181 [0,2,0,0,0,0|1,0,1]=4 13048 B15R0.244 CCOC(=O)CCCCC(=O)CCCC#N 1458a_100000075515_100000750268 [0,2,0,0,0,0|0,0,2]=4 13049 B15R0.244 CCOC(=O)CCCCC(=O)CCCC#N 1458a_100011217402_100000211468 [0,2,0,0,0,0|0,0,2]=4 13050 B15R0.244 CCOC(=O)CCCCC(=O)CCCCF 1458a_100011217402_100000729493 [0,2,0,0,0,0|0,0,1]=3 13051 B15R0.244 CCOC(=O)CCCCC(=O)CCCCO 1458a_100000695505_100000750268 [0,2,0,0,0,0|0,0,1]=3 13052 B15R0.244 CCOC(=O)CCCCC(=O)CCCCO 1458a_100011217402_100000210776 [0,2,0,0,0,0|0,0,1]=3 13053 B15R0.244 CCOC(=O)CCCCC(=O)CCCOC 1458a_100000741012_100000750268 [0,2,0,0,0,0|0,0,1]=3 13054 B15R0.244 CCOC(=O)CCCCC(=O)CCCOC 1458a_100011217402_100000740836 [0,2,0,0,0,0|0,0,1]=3 13055 B15R0.244 CCOC(=O)CCCCC(=O)CCCSC 1458a_100000173376_100000750268 [0,2,0,0,0,0|0,0,1]=3 13056 B15R0.244 CCOC(=O)CCCCC(=O)CCSCC 1458a_100000230768_100000750268 [0,2,0,0,0,0|0,0,1]=3 13057 B15R0.244 CCOC(=O)CCCCC(=O)CCSCC 1458a_100011217402_100000757381 [0,2,0,0,0,0|0,0,1]=3 13058 B15R0.244 CCOC(=O)CCCCC(=O)COCCO 1458a_100000708028_100000750268 [0,2,0,0,0,0|1,0,1]=4 13059 B15R0.244 CCOC(=O)CCCCC(=O)NCCCF 11a_100015189416_100011217402 [0,2,0,0,0,0|1,0,1]=4 13060 B15R0.244 CCOC(=O)CCCCC(=O)NCCCF 1626a_100015189416_100011217402 [0,2,0,0,0,0|1,0,1]=4 13061 B15R0.244 CCOC(=O)CCCCC(=O)NCCCF 240690a_100015189416_100011217402 [0,2,0,0,0,0|1,0,1]=4 13062 B15R0.244 CCOC(=O)CCCCC(=O)NCCCF 527a_100015189416_100011217402 [0,2,0,0,0,0|1,0,1]=4 13063 B15R0.244 CCOC(=O)CCCCC(=O)NCCCO 240690a_100000182051_100011217402 [0,2,0,0,0,0|1,0,1]=4 13064 B15R0.244 CCOC(=O)CCCCC(=O)NCCCO 527a_100000182051_100011217402 [0,2,0,0,0,0|1,0,1]=4 13065 B15R0.244 CCOC(=O)CCCCC(=O)NCCOC 1626a_100000209980_100011217402 [0,2,0,0,0,0|1,0,1]=4 13066 B15R0.244 CCOC(=O)CCCCC(=O)NCCOC 240690a_100000209980_100011217402 [0,2,0,0,0,0|1,0,1]=4 13067 B15R0.244 CCOC(=O)CCCCC(=O)NCCOC 527a_100000209980_100011217402 [0,2,0,0,0,0|1,0,1]=4 13068 B15R0.244 CCOC(=O)CCCCC(=O)NCCSC 11a_100020590264_100011217402 [0,2,0,0,0,0|1,0,1]=4 13069 B15R0.244 CCOC(=O)CCCCC(=O)NCCSC 1626a_100020590264_100011217402 [0,2,0,0,0,0|1,0,1]=4 13070 B15R0.244 CCOC(=O)CCCCC(=O)NCCSC 240690a_100020590264_100011217402 [0,2,0,0,0,0|1,0,1]=4 13071 B15R0.244 CCOC(=O)CCCCC(=O)NCCSC 527a_100020590264_100011217402 [0,2,0,0,0,0|1,0,1]=4 13072 B15R0.244 CCOC(=O)CCCCN(C)CCCCO 2230a_100000717598_100000750268 [0,2,0,0,0,0|1,0,0]=3 13073 B15R0.244 CCOC(=O)CCCCN(C)CCCCO 269982a_100000717598_100000750268 [0,2,0,0,0,0|1,0,0]=3 13074 B15R0.244 CCOC(=O)CCCCN(C)CCCOC 2230a_100000224831_100000750268 [0,2,0,0,0,0|1,0,0]=3 13075 B15R0.244 CCOC(=O)CCCCN(C)CCCOC 269982a_100000224831_100000750268 [0,2,0,0,0,0|1,0,0]=3 13076 B15R0.244 CCOC(=O)CCCNC(=O)CCCCO 188690a_100000211256_100000695505 [0,2,0,0,0,0|1,0,1]=4 13077 B15R0.244 CCOC(=O)CCCNC(=O)CCCOC 188690a_100000211256_100000741012 [0,2,0,0,0,0|1,0,1]=4 13078 B15R0.244 CCOC(=O)CCCNC(=O)CCCSC 188690a_100000211256_100000173376 [0,2,0,0,0,0|1,0,1]=4 13079 B15R0.244 CCOC(=O)CCCNC(=O)CCSCC 188690a_100000211256_100000230768 [0,2,0,0,0,0|1,0,1]=4 13080 B15R0.244 CCOC(=O)CCCOC(C)CCCOC 34a_200011539412_100009991533 [0,2,0,0,0,0|1,0,0]=3 13081 B15R0.244 CCOC(=O)CCCOC(C)CCCOC 7a_200011539412_100011215271 [0,2,0,0,0,0|1,0,0]=3 13082 B15R0.244 CCOC(=O)CCOC[C@@H](N)CCCCN 34a_100016993712_100000765890 [0,2,0,0,0,0|1,0,0]=3 13083 B15R0.244 CCOC(=O)COCCC(=O)CCCCO 1458a_100000695505_100000088970 [0,2,0,0,0,0|1,0,1]=4 13084 B15R0.244 CCOC(=O)COCCC(=O)CCCOC 1458a_100000741012_100000088970 [0,2,0,0,0,0|1,0,1]=4 13085 B15R0.244 CCOC(=O)COCCC(=O)CCCSC 1458a_100000173376_100000088970 [0,2,0,0,0,0|1,0,1]=4 13086 B15R0.244 CCOC(=O)COCCC(=O)CCSCC 1458a_100000230768_100000088970 [0,2,0,0,0,0|1,0,1]=4 13087 B15R0.244 CCOC(=O)COCCN(C)CCCCO 2230a_100000717598_100000088970 [0,2,0,0,0,0|2,0,0]=4 13088 B15R0.244 CCOC(=O)COCCN(C)CCCCO 269982a_100000717598_100000088970 [0,2,0,0,0,0|2,0,0]=4 13089 B15R0.244 CCOC(=O)COCCN(C)CCCOC 2230a_100000224831_100000088970 [0,2,0,0,0,0|2,0,0]=4 13090 B15R0.244 CCOC(=O)COCCN(C)CCCOC 269982a_100000224831_100000088970 [0,2,0,0,0,0|2,0,0]=4 13091 B15R0.244 CCOC(=O)NCCOC(C)CCCOC 7a_200011539412_200011445536 [0,2,0,0,0,0|2,0,0]=4 13092 B15R0.244 CCOCCC(=O)CCCCC(=O)OCC 1458a_100000749530_100000750268 [0,2,0,0,0,0|0,0,1]=3 13093 B15R0.244 CCOCCC(=O)CCCCC(=O)OCC 1458a_100011217402_100011215890 [0,2,0,0,0,0|0,0,1]=3 13094 B15R0.244 CCOCCC(=O)CCOCC(=O)OCC 1458a_100000749530_100000088970 [0,2,0,0,0,0|1,0,1]=4 13095 B15R0.244 CCOCCC(=O)NCCCC(=O)OCC 188690a_100000211256_100000749530 [0,2,0,0,0,0|1,0,1]=4 13096 B15R0.355 C#CC(CCCC)OCCCC(=O)OCC 34a_200011217967_100009991533 [0,2,0,0,0,0|1,0,0]=3 13097 B15R0.355 C#CC(CCCC)OCCCC(=O)OCC 7a_200011217967_100011215271 [0,2,0,0,0,0|1,0,0]=3 13098 B15R0.355 C#CC(CCCC)OCCNC(=O)OCC 7a_200011217967_200011445536 [0,2,0,0,0,0|2,0,0]=4 13099 B15R0.355 C=CC(CCCC)OCCCC(=O)OCC 34a_200011215037_100009991533 [0,2,0,0,0,0|1,0,0]=3 13100 B15R0.355 C=CC(CCCC)OCCCC(=O)OCC 7a_200011215037_100011215271 [0,2,0,0,0,0|1,0,0]=3 13101 B15R0.355 C=CC(CCCC)OCCNC(=O)OCC 7a_200011215037_200011445536 [0,2,0,0,0,0|2,0,0]=4 13102 B15R0.355 CC#CC(=O)CCCCC(CC)CCCC 1458a_100000763181_200012094884 [0,2,0,0,0,0|1,0,1]=4 13103 B15R0.355 CC=CC(=O)CCCCC(CC)CCCC 1458a_100000210699_200012094884 [0,2,0,0,0,0|1,0,1]=4 13104 B15R0.355 CCCCC(CC)CCCCC(=O)CCC 1458a_100000211992_200012094884 [0,2,0,0,0,0|1,0,0]=3 13105 B15R0.355 CCCCC(CC)CCCCC(=O)CCO 1458a_100011216618_200012094884 [0,2,0,0,0,0|2,0,0]=4 13106 B15R0.355 CCCCC(CC)CCCCC(=O)COC 1458a_100000210968_200012094884 [0,2,0,0,0,0|2,0,0]=4 13107 B15R0.355 CCCCC(CC)CCCCC(=O)CSC 1458a_100000184570_200012094884 [0,2,0,0,0,0|2,0,0]=4 13108 B15R0.355 CCCCC(CC)CNCCC(=O)NCC 2230a_100000209976_100000737597 [0,2,0,0,0,0|2,0,0]=4 13109 B15R0.355 CCCCC(CC)CNCCC(=O)NCC 269862a_100025743525_100011219736 [0,2,0,0,0,0|2,0,0]=4 13110 B15R0.355 CCCCC(CC)CNCCC(=O)NCC 270004a_100025743525_100011219736 [0,2,0,0,0,0|2,0,0]=4 13111 B15R0.355 CCCCC(CC)CNCCC(=O)NCC 34a_100025743525_100000211942 [0,2,0,0,0,0|2,0,0]=4 13112 B15R0.355 CCCCC(CC)CNCCC(=O)OCC 2230a_100000209976_100011206558 [0,2,0,0,0,0|1,0,0]=3 13113 B15R0.355 CCCCC(CC)COCCC(=O)NCC 7a_100000210273_100000737597 [0,2,0,0,0,0|2,0,0]=4 13114 B15R0.355 CCCCC(CC)COCCC(=O)OCC 34a_100000210273_100000765890 [0,2,0,0,0,0|1,0,0]=3 13115 B15R0.355 CCCCC(CC)COCCC(=O)OCC 7a_100000210273_100011206558 [0,2,0,0,0,0|1,0,0]=3 13116 B15R0.355 CCCCC(CC)CSCCC(=O)NCC 62a_100000211942_100000737597 [0,2,0,0,0,0|2,0,0]=4 13117 B15R0.355 CCCCC(CC)CSCCC(=O)NCC 62a_100000737597_100000211942 [0,2,0,0,0,0|2,0,0]=4 13118 B15R0.355 CCCCC(CC)CSCCC(=O)OCC 62a_100000211942_100000765890 [0,2,0,0,0,0|1,0,0]=3 13119 B15R0.355 CCCCC(CC)CSCCC(=O)OCC 62a_100000765890_100000211942 [0,2,0,0,0,0|1,0,0]=3 13120 B15R0.355 CCCCC(CC)CSCOC(=O)OCC 62a_100000211942_100000075025 [0,2,0,0,0,0|2,0,0]=4 13121 B15R0.355 CCCCC(CC)OCCCC(=O)OCC 34a_100011215227_100009991533 [0,2,0,0,0,0|1,0,0]=3 13122 B15R0.355 CCCCC(CC)OCCCC(=O)OCC 7a_100011215227_100011215271 [0,2,0,0,0,0|1,0,0]=3 13123 B15R0.355 CCCCC(CC)OCCCC(=O)OCC 7a_100012001163_200011216223 [0,2,0,0,0,0|1,0,0]=3 13124 B15R0.355 CCCCC(CC)OCCNC(=O)OCC 34a_100000158857_200011216223 [0,2,0,0,0,0|2,0,0]=4 13125 B15R0.355 CCCCC(CC)OCCNC(=O)OCC 7a_100011215227_200011445536 [0,2,0,0,0,0|2,0,0]=4 13126 B15R0.355 CCCCC(CC)SCCCC(=O)OCC 62a_100009991533_200011216223 [0,2,0,0,0,0|1,0,0]=3 13127 B15R0.355 CCCCC(CC)SCCCC(=O)OCC 62a_200011216223_100009991533 [0,2,0,0,0,0|1,0,0]=3 13128 B15R0.355 CCCCC(CC)SCCNC(=O)OCC 62a_200011216223_200011445536 [0,2,0,0,0,0|2,0,0]=4 13129 B15R0.355 CCCCN(CC)CCCCC(=O)OCC 2230a_100000207695_100000750268 [0,2,0,0,0,0|1,0,0]=3 13130 B15R0.355 CCCCN(CC)CCCCC(=O)OCC 269982a_100000207695_100000750268 [0,2,0,0,0,0|1,0,0]=3 13131 B15R0.355 CCCCN(CC)CCNCC(=O)OCC 2230a_200011208488_100000188475 [0,2,0,0,0,0|2,0,0]=4 13132 B15R0.355 CCCCN(CC)CCOCC(=O)OCC 2230a_100000207695_100000088970 [0,2,0,0,0,0|2,0,0]=4 13133 B15R0.355 CCCCN(CC)CCOCC(=O)OCC 269982a_100000207695_100000088970 [0,2,0,0,0,0|2,0,0]=4 13134 B15R0.355 CCCC[C@@H](CO)NCCCC(=O)OCC 2230a_100011934283_100009991533 [0,2,0,0,0,0|1,0,0]=3 13135 B15R0.355 CCCC[C@@H](CO)NCCCC(=O)OCC 34a_100011934283_100009991533 [0,2,0,0,0,0|1,0,0]=3 13136 B15R0.355 CCOC(=O)CCCCN(CC)CCOC 2230a_100000731262_100000750268 [0,2,0,0,0,0|2,0,0]=4 13137 B15R0.355 CCOC(=O)CCCCN(CC)CCOC 269982a_100000731262_100000750268 [0,2,0,0,0,0|2,0,0]=4 13138 B15R0.355 CCOC(=O)CCCN[C@H](CO)CCSC 2230a_100011827619_100009991533 [0,2,0,0,0,0|2,0,0]=4 13139 B15R0.355 CCOCC(CN)OCCCC(=O)OCC 34a_102515437182_100009991533 [0,2,0,0,0,0|2,0,0]=4 13140 B15R0.390 C=C(C)CCC(=O)CCCCC(=O)OCC 1458a_100011217402_100000730704 [0,2,0,0,0,0|0,0,2]=4 13141 B15R0.390 C=C(C)CCC(=O)CCCCC(=O)OCC 1458a_200000688413_100000750268 [0,2,0,0,0,0|0,0,2]=4 13142 B15R0.390 CCOC(=O)CCCCC(=O)CCC(C)C 1458a_100000181311_100000750268 [0,2,0,0,0,0|0,0,1]=3 13143 B15R0.390 CCOC(=O)CCCCC(=O)CCC(C)C 1458a_100011217402_100000210312 [0,2,0,0,0,0|0,0,1]=3 13144 B15R0.390 CCOC(=O)CCCCC(=O)CCC(C)O 1458a_100011217402_100012276601 [0,2,0,0,0,0|0,0,1]=3 13145 B15R0.390 CCOC(=O)CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000750268 [0,2,0,0,0,0|1,0,1]=4 13146 B15R0.390 CCOC(=O)CCCCC(=O)COC(C)C 1458a_100000745533_100000750268 [0,2,0,0,0,0|1,0,1]=4 13147 B15R0.390 CCOC(=O)CCCCC(=O)CSC(C)C 1458a_100000241585_100000750268 [0,2,0,0,0,0|1,0,1]=4 13148 B15R0.390 CCOC(=O)CCCCC(=O)NCC(C)C 11a_100000210953_100011217402 [0,2,0,0,0,0|1,0,1]=4 13149 B15R0.390 CCOC(=O)CCCCC(=O)NCC(C)C 1626a_100000210953_100011217402 [0,2,0,0,0,0|1,0,1]=4 13150 B15R0.390 CCOC(=O)CCCCC(=O)NCC(C)C 240690a_100000210953_100011217402 [0,2,0,0,0,0|1,0,1]=4 13151 B15R0.390 CCOC(=O)CCCCC(=O)NCC(C)C 527a_100000210953_100011217402 [0,2,0,0,0,0|1,0,1]=4 13152 B15R0.390 CCOC(=O)CCCCC(=O)NCC(C)O 11a_100000210904_100011217402 [0,2,0,0,0,0|1,0,1]=4 13153 B15R0.390 CCOC(=O)CCCCC(=O)NCC(C)O 240690a_100000210904_100011217402 [0,2,0,0,0,0|1,0,1]=4 13154 B15R0.390 CCOC(=O)CCCCC(=O)NCC(C)O 527a_100000210904_100011217402 [0,2,0,0,0,0|1,0,1]=4 13155 B15R0.390 CCOC(=O)CCCCN(C)CCC(C)C 2230a_100000742789_100000750268 [0,2,0,0,0,0|1,0,0]=3 13156 B15R0.390 CCOC(=O)CCCCN(C)CCC(C)C 269982a_100000742789_100000750268 [0,2,0,0,0,0|1,0,0]=3 13157 B15R0.390 CCOC(=O)CCCCN(C)CCN(C)C 269982a_100000225618_100000750268 [0,2,0,0,0,0|2,0,0]=4 13158 B15R0.390 CCOC(=O)CCCNC(=O)CCC(C)C 188690a_100000211256_100000181311 [0,2,0,0,0,0|1,0,1]=4 13159 B15R0.390 CCOC(=O)CCCNC(=O)CCC(C)O 188690a_100000211256_100000718519 [0,2,0,0,0,0|1,0,1]=4 13160 B15R0.390 CCOC(=O)CCCNC(C)CCC(C)C 2230a_100138410893_100009991533 [0,2,0,0,0,0|1,0,0]=3 13161 B15R0.390 CCOC(=O)CCCOC(C)CCC(C)C 34a_100011215350_100009991533 [0,2,0,0,0,0|1,0,0]=3 13162 B15R0.390 CCOC(=O)CCCOC(C)CCC(C)C 7a_100011215350_100011215271 [0,2,0,0,0,0|1,0,0]=3 13163 B15R0.390 CCOC(=O)CCCSC(C)CCC(C)C 62a_100009991533_100011261404 [0,2,0,0,0,0|1,0,0]=3 13164 B15R0.390 CCOC(=O)CCCSC(C)CCC(C)C 62a_100011261404_100009991533 [0,2,0,0,0,0|1,0,0]=3 13165 B15R0.390 CCOC(=O)COCCC(=O)CCC(C)C 1458a_100000181311_100000088970 [0,2,0,0,0,0|1,0,1]=4 13166 B15R0.390 CCOC(=O)COCCN(C)CCC(C)C 2230a_100000742789_100000088970 [0,2,0,0,0,0|2,0,0]=4 13167 B15R0.390 CCOC(=O)COCCN(C)CCC(C)C 269982a_100000742789_100000088970 [0,2,0,0,0,0|2,0,0]=4 13168 B15R0.390 CCOC(=O)NCCOC(C)CCC(C)C 34a_100000158857_100011261404 [0,2,0,0,0,0|2,0,0]=4 13169 B15R0.390 CCOC(=O)NCCOC(C)CCC(C)C 7a_100011215350_200011445536 [0,2,0,0,0,0|2,0,0]=4 13170 B15R0.390 CCOC(=O)NCCSC(C)CCC(C)C 62a_100011261404_200011445536 [0,2,0,0,0,0|2,0,0]=4 13171 B15R0.439 CCCCC(C)NC(=O)CCC(=O)OCC 11a_100000126638_100000183558 [0,2,0,0,0,0|1,0,1]=4 13172 B15R0.439 CCCCC(C)NC(=O)CCC(=O)OCC 1626a_100000126638_100000183558 [0,2,0,0,0,0|1,0,1]=4 13173 B15R0.439 CCCCC(C)NC(=O)CCC(=O)OCC 240690a_100000126638_100000183558 [0,2,0,0,0,0|1,0,1]=4 13174 B15R0.439 CCCCC(C)NC(C)CCC(=O)OCC 2230a_100000126638_100000748298 [0,2,0,0,0,0|1,0,0]=3 13175 B15R0.439 CCCCC(C)OC(C)CCC(=O)OCC 34a_100000687866_100000748298 [0,2,0,0,0,0|1,0,0]=3 13176 B15R0.439 CCCCC(C)OC(C)CCC(=O)OCC 7a_100000687866_100000748298 [0,2,0,0,0,0|1,0,0]=3 13177 B15R0.439 CCCCC(C)SC(C)CCC(=O)OCC 62a_100000748298_200011215066 [0,2,0,0,0,0|1,0,0]=3 13178 B15R0.439 CCCCC(C)SC(C)CCC(=O)OCC 62a_200011215066_100000748298 [0,2,0,0,0,0|1,0,0]=3 13179 B15R0.439 CCOC(=O)CCC(C)OC(C)CCCCl 34a_200000718107_100000748298 [0,2,0,0,0,0|2,0,0]=4 13180 B15R0.439 CCOC(=O)CCC(C)OC(C)CCCCl 7a_200000718107_100000748298 [0,2,0,0,0,0|2,0,0]=4 13181 B15R0.439 CCOCC(C)OC(C)CCC(=O)OCC 34a_100000718985_100000748298 [0,2,0,0,0,0|2,0,0]=4 13182 B15R0.439 CCOCC(C)OC(C)CCC(=O)OCC 7a_100000718985_100000748298 [0,2,0,0,0,0|2,0,0]=4 13183 B15R0.3367 CCCCC(C)(C)COCCC(=O)NCC 7a_200011995781_100000737597 [0,2,0,0,0,0|2,0,0]=4 13184 B15R0.3367 CCCCC(C)(C)COCCC(=O)OCC 7a_200011995781_100011206558 [0,2,0,0,0,0|1,0,0]=3 13185 B15R0.3367 CCCCC(C)(C)OCCCC(=O)OCC 7a_100011219641_100011215271 [0,2,0,0,0,0|1,0,0]=3 13186 B15R0.3367 CCCCC(C)(C)OCCNC(=O)OCC 7a_100011219641_200011445536 [0,2,0,0,0,0|2,0,0]=4 13187 B15R0.3367 CCCC[Si](C)(C)CSCCC(=O)OCC 62a_100000765890_200000073895 [0,2,0,0,0,0|1,1,0]=4 13188 B15R0.3367 CCCC[Si](C)(C)CSCCC(=O)OCC 62a_200000073895_100000765890 [0,2,0,0,0,0|1,1,0]=4 13189 B15R0.3367 CCOC(=O)CCCOC(C)(C)CCCBr 7a_100009888830_100011215271 [0,2,0,0,0,0|2,0,0]=4 13190 B15R0.4259 CCCCC(C)COCOC(=O)OCCC 34a_100011995851_200000139673 [0,2,0,0,0,0|2,0,0]=4 13191 B15R0.4259 CCCCC(C)COCOC(=O)OCCC 7a_100011995851_200000139673 [0,2,0,0,0,0|2,0,0]=4 13192 B15R0.4259 CCCCC(C)NCCCC(=O)NCCC 2230a_100000126638_100011194427 [0,2,0,0,0,0|2,0,0]=4 13193 B15R0.4259 CCCCC(C)OCCCC(=O)NCCC 7a_100000687866_100011194427 [0,2,0,0,0,0|2,0,0]=4 13194 B15R0.4259 CCCCC(C)SCCCC(=O)NCCC 62a_100011194427_200011215066 [0,2,0,0,0,0|2,0,0]=4 13195 B15R0.4259 CCCCC(C)SCCCC(=O)NCCC 62a_200011215066_100011194427 [0,2,0,0,0,0|2,0,0]=4 13196 B15R0.4259 CCCC[C@H](N)COCOC(=O)OCCC 34a_100011934283_200000139673 [0,2,0,0,0,0|2,0,0]=4 13197 B15R0.192 CCCCCCC(C)NCC(=O)N(C)CC 2230a_100000210919_100000738999 [0,2,0,0,0,0|2,0,0]=4 13198 B15R0.192 CCCCCCC(C)NCC(=O)N(C)CC 34a_100000210919_100000738999 [0,2,0,0,0,0|2,0,0]=4 13199 B15R0.192 CCCCCCC(C)OCC(=O)N(C)CC 34a_100000210265_100000738999 [0,2,0,0,0,0|2,0,0]=4 13200 B15R0.192 CCCCCCC(C)OCC(=O)N(C)CC 7a_100000210265_100000738999 [0,2,0,0,0,0|2,0,0]=4 13201 B15R0.192 CCCCCCC(C)SCC(=O)N(C)CC 62a_100000738999_100011215978 [0,2,0,0,0,0|2,0,0]=4 13202 B15R0.192 CCCCCCC(C)SCC(=O)N(C)CC 62a_100011215978_100000738999 [0,2,0,0,0,0|2,0,0]=4 13203 B15R0.321 CC(C)C(C)C(=O)CCCCCCCCO 1458a_100000755409_100000033203 [0,2,0,0,0,0|2,0,0]=4 13204 B15R0.321 CC(C)N(C)C(=O)CCCCCCCCO 240690a_200000211004_100000015970 [0,2,0,0,0,0|2,0,0]=4 13205 B15R0.321 CC(C)[C@@H](O)C(=O)CCCCCCCCO 1458a_100000691806_100000033203 [0,2,0,0,0,0|2,0,0]=4 13206 B15R0.321 CCCCCCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210670 [0,2,0,0,0,0|2,0,0]=4 13207 B15R0.321 CCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210558_100000179758 [0,2,0,0,0,0|1,0,1]=4 13208 B15R0.321 CCCCCCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210670 [0,2,0,0,0,0|1,0,0]=3 13209 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C 11a_200000211004_100000210558 [0,2,0,0,0,0|1,0,0]=3 13210 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210558 [0,2,0,0,0,0|1,0,0]=3 13211 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210558 [0,2,0,0,0,0|1,0,0]=3 13212 B15R0.321 CCCCCCCCCC(=O)N(C)C(C)C 527a_200000211004_100000210558 [0,2,0,0,0,0|1,0,0]=3 13213 B15R0.321 CCCCCCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210670 [0,2,0,0,0,0|2,0,0]=4 13214 B15R0.321 CCCCCCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210670 [0,2,0,0,0,0|1,0,0]=3 13215 B15R0.321 CCCCCCCCNC(=O)C(C)C(C)C 11a_100000229939_100000755409 [0,2,0,0,0,0|2,0,0]=4 13216 B15R0.321 CCCCCCCCNC(=O)C(C)C(C)C 1626a_100000229939_100000755409 [0,2,0,0,0,0|2,0,0]=4 13217 B15R0.321 CCCCCCCCNC(=O)C(C)C(C)C 240690a_100000229939_100000755409 [0,2,0,0,0,0|2,0,0]=4 13218 B15R0.321 CCCCCCCCNC(=O)C(C)C(C)C 527a_100000229939_100000755409 [0,2,0,0,0,0|2,0,0]=4 13219 B15R0.321 CCCCCCCCNC(=O)N(C)C(C)C 2708a_100000229939_200000211004 [0,2,0,0,0,0|2,0,0]=4 13220 B15R0.321 CCCCCCCCNC(=O)N(C)C(C)C 273464a_100000229939_200000211004 [0,2,0,0,0,0|2,0,0]=4 13221 B15R0.321 CCCCCCCCNC(=O)[C@H](O)C(C)C 240690a_100000229939_100000691806 [0,2,0,0,0,0|2,0,0]=4 13222 B15R0.321 CCCCCCCNCC(=O)N(C)C(C)C 2230a_100000229938_100000230190 [0,2,0,0,0,0|2,0,0]=4 13223 B15R0.321 CCCCCCCOCC(=O)N(C)C(C)C 34a_100000210272_100000230190 [0,2,0,0,0,0|2,0,0]=4 13224 B15R0.321 CCCCCCCOCC(=O)N(C)C(C)C 7a_100000210272_100000230190 [0,2,0,0,0,0|2,0,0]=4 13225 B15R0.321 CCCCCCCSCC(=O)N(C)C(C)C 62a_100000210614_100000230190 [0,2,0,0,0,0|2,0,0]=4 13226 B15R0.321 CCCCCCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210316 [0,2,0,0,0,0|2,0,0]=4 13227 B15R0.324 C#CCCCCCCCCC(=O)C(C)CC 1458a_100000029693_100000758301 [0,2,0,0,0,0|1,0,1]=4 13228 B15R0.324 C#CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000029693 [0,2,0,0,0,0|1,0,1]=4 13229 B15R0.324 C#CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000029693 [0,2,0,0,0,0|1,0,1]=4 13230 B15R0.324 C#CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000029693 [0,2,0,0,0,0|1,0,1]=4 13231 B15R0.324 C#CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000029693 [0,2,0,0,0,0|1,0,1]=4 13232 B15R0.324 C/C=C(\C)/C(=O)CCCCCCCCCC 1458a_100020587367_100000210319 [0,2,0,0,0,0|1,0,1]=4 13233 B15R0.324 C/C=C(\C)/C(=O)CCCCCCCCCO 1458a_100020587367_100009813782 [0,2,0,0,0,0|1,0,1]=4 13234 B15R0.324 C/C=C(\C)/C(=O)NCCCCCCCCC 11a_100000212291_100020587367 [0,2,0,0,0,0|1,0,1]=4 13235 B15R0.324 C/C=C(\C)/C(=O)NCCCCCCCCC 1626a_100000212291_100020587367 [0,2,0,0,0,0|1,0,1]=4 13236 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100000211349_100000758301 [0,2,0,0,0,0|1,0,1]=4 13237 B15R0.324 C=CCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011933949 [0,2,0,0,0,0|1,0,1]=4 13238 B15R0.324 C=CCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100011933949 [0,2,0,0,0,0|1,0,1]=4 13239 B15R0.324 C=CCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000211349 [0,2,0,0,0,0|1,0,1]=4 13240 B15R0.324 C=CCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000211349 [0,2,0,0,0,0|1,0,1]=4 13241 B15R0.324 C=CCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000211349 [0,2,0,0,0,0|1,0,1]=4 13242 B15R0.324 C=CCCCCCCCCC(=O)N(C)CC 527a_100000225621_100000211349 [0,2,0,0,0,0|1,0,1]=4 13243 B15R0.324 CC#CCCCCCCCC(=O)C(C)CC 1458a_100000066323_100000758301 [0,2,0,0,0,0|1,0,1]=4 13244 B15R0.324 CC#CCCCCCCCC(=O)N(C)CC 11a_100000225621_100000066323 [0,2,0,0,0,0|1,0,1]=4 13245 B15R0.324 CC#CCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000066323 [0,2,0,0,0,0|1,0,1]=4 13246 B15R0.324 CC#CCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000066323 [0,2,0,0,0,0|1,0,1]=4 13247 B15R0.324 CC#CCCCCCCCC(=O)N(C)CC 527a_100000225621_100000066323 [0,2,0,0,0,0|1,0,1]=4 13248 B15R0.324 CCC#CCCCCCCC(=O)C(C)CC 1458a_100011192722_200000036426 [0,2,0,0,0,0|1,0,1]=4 13249 B15R0.324 CCC#CCCCCCCC(=O)C(O)CC 1458a_100011196387_200000036426 [0,2,0,0,0,0|1,0,1]=4 13250 B15R0.324 CCC(C)C(=O)CCCCCCCCCF 1458a_200009909015_100000758301 [0,2,0,0,0,0|1,0,0]=3 13251 B15R0.324 CCC(C)C(=O)CCCCCCCCCO 1458a_100011192722_100009813782 [0,2,0,0,0,0|1,0,0]=3 13252 B15R0.324 CCC(C)C(=O)NCCCCCCCCO 240690a_102515433106_100011192722 [0,2,0,0,0,0|2,0,0]=4 13253 B15R0.324 CCC(O)C(=O)CCCCCCCCCO 1458a_100011196387_100009813782 [0,2,0,0,0,0|1,0,0]=3 13254 B15R0.324 CCC(O)C(=O)NCCCCCCCCO 240690a_102515433106_100011196387 [0,2,0,0,0,0|2,0,0]=4 13255 B15R0.324 CCCCCCCCC=CC(=O)C(C)CC 1458a_100015345288_100000758301 [0,2,0,0,0,0|1,0,1]=4 13256 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 11a_100000225621_100015345288 [0,2,0,0,0,0|1,0,1]=4 13257 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 1626a_100000225621_100015345288 [0,2,0,0,0,0|1,0,1]=4 13258 B15R0.324 CCCCCCCCC=CC(=O)N(C)CC 240690a_100000225621_100015345288 [0,2,0,0,0,0|1,0,1]=4 13259 B15R0.324 CCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210319 [0,2,0,0,0,0|2,0,0]=4 13260 B15R0.324 CCCCCCCCCCC(=O)C(C)CC 1458a_100000210375_100000758301 [0,2,0,0,0,0|1,0,0]=3 13261 B15R0.324 CCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100000210319 [0,2,0,0,0,0|1,0,0]=3 13262 B15R0.324 CCCCCCCCCCC(=O)C(C)OC 1458a_100000743197_100000210319 [0,2,0,0,0,0|2,0,0]=4 13263 B15R0.324 CCCCCCCCCCC(=O)C(C)SC 1458a_100000149566_100000210319 [0,2,0,0,0,0|2,0,0]=4 13264 B15R0.324 CCCCCCCCCCC(=O)C(O)CC 1458a_100011196387_100000210319 [0,2,0,0,0,0|1,0,0]=3 13265 B15R0.324 CCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100000210319 [0,2,0,0,0,0|2,0,0]=4 13266 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 11a_100000225621_100000210375 [0,2,0,0,0,0|1,0,0]=3 13267 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 1626a_100000225621_100000210375 [0,2,0,0,0,0|1,0,0]=3 13268 B15R0.324 CCCCCCCCCCC(=O)N(C)CC 240690a_100000225621_100000210375 [0,2,0,0,0,0|1,0,0]=3 13269 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 1626a_100000212291_100011218921 [0,2,0,0,0,0|2,0,0]=4 13270 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 240690a_100000212291_100011218921 [0,2,0,0,0,0|2,0,0]=4 13271 B15R0.324 CCCCCCCCCNC(=O)C(=O)NC 527a_100000212291_100011218921 [0,2,0,0,0,0|2,0,0]=4 13272 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 11a_100000212291_100000024059 [0,2,0,0,0,0|2,0,0]=4 13273 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 1626a_100000212291_100000024059 [0,2,0,0,0,0|2,0,0]=4 13274 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 240690a_100000212291_100000024059 [0,2,0,0,0,0|2,0,0]=4 13275 B15R0.324 CCCCCCCCCNC(=O)C(=O)OC 527a_100000212291_100000024059 [0,2,0,0,0,0|2,0,0]=4 13276 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 11a_100000212291_100011192722 [0,2,0,0,0,0|1,0,0]=3 13277 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 1626a_100000212291_100011192722 [0,2,0,0,0,0|1,0,0]=3 13278 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 240690a_100000212291_100011192722 [0,2,0,0,0,0|1,0,0]=3 13279 B15R0.324 CCCCCCCCCNC(=O)C(C)CC 527a_100000212291_100011192722 [0,2,0,0,0,0|1,0,0]=3 13280 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 11a_100000212291_100000743197 [0,2,0,0,0,0|2,0,0]=4 13281 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 1626a_100000212291_100000743197 [0,2,0,0,0,0|2,0,0]=4 13282 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 240690a_100000212291_100000743197 [0,2,0,0,0,0|2,0,0]=4 13283 B15R0.324 CCCCCCCCCNC(=O)C(C)OC 527a_100000212291_100000743197 [0,2,0,0,0,0|2,0,0]=4 13284 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 11a_100000212291_100000149566 [0,2,0,0,0,0|2,0,0]=4 13285 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 1626a_100000212291_100000149566 [0,2,0,0,0,0|2,0,0]=4 13286 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 240690a_100000212291_100000149566 [0,2,0,0,0,0|2,0,0]=4 13287 B15R0.324 CCCCCCCCCNC(=O)C(C)SC 527a_100000212291_100000149566 [0,2,0,0,0,0|2,0,0]=4 13288 B15R0.324 CCCCCCCCCNC(=O)C(O)CC 240690a_100000212291_100011196387 [0,2,0,0,0,0|1,0,0]=3 13289 B15R0.324 CCCCCCCCCNC(=O)C(O)CO 240690a_100000212291_100011215603 [0,2,0,0,0,0|2,0,0]=4 13290 B15R0.324 CCCCCCCCCNC(=O)N(C)CC 2708a_100000212291_100000225621 [0,2,0,0,0,0|1,0,0]=3 13291 B15R0.324 CCCCCCCCCNC(=O)N(C)CC 273464a_100000212291_100000225621 [0,2,0,0,0,0|1,0,0]=3 13292 B15R0.324 CCCCCCCCNCC(=O)C(=O)OC 34a_100000229939_100011610305 [0,2,0,0,0,0|2,0,0]=4 13293 B15R0.324 CCCCCCCCNCC(=O)N(C)CC 2230a_100000229939_100000738999 [0,2,0,0,0,0|1,0,0]=3 13294 B15R0.324 CCCCCCCCNCC(=O)N(C)CC 34a_100000229939_100000738999 [0,2,0,0,0,0|1,0,0]=3 13295 B15R0.324 CCCCCCCCNCC(=O)N(C)OC 2230a_100000229939_100000764215 [0,2,0,0,0,0|2,0,0]=4 13296 B15R0.324 CCCCCCCCNCC(=O)N(C)OC 2230a_100015207273_100000210759 [0,2,0,0,0,0|2,0,0]=4 13297 B15R0.324 CCCCCCCCOCC(=O)C(=O)OC 34a_100000210232_100011610305 [0,2,0,0,0,0|2,0,0]=4 13298 B15R0.324 CCCCCCCCOCC(=O)C(C)CC 1458a_100000759886_100000758301 [0,2,0,0,0,0|1,0,0]=3 13299 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 11a_100000225621_100000759886 [0,2,0,0,0,0|1,0,0]=3 13300 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 1626a_100000225621_100000759886 [0,2,0,0,0,0|1,0,0]=3 13301 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 240690a_100000225621_100000759886 [0,2,0,0,0,0|1,0,0]=3 13302 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 34a_100000210232_100000738999 [0,2,0,0,0,0|1,0,0]=3 13303 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 527a_100000225621_100000759886 [0,2,0,0,0,0|1,0,0]=3 13304 B15R0.324 CCCCCCCCOCC(=O)N(C)CC 7a_100000210232_100000738999 [0,2,0,0,0,0|1,0,0]=3 13305 B15R0.324 CCCCCCCCOCC(=O)N(C)OC 7a_100000210232_100000764215 [0,2,0,0,0,0|2,0,0]=4 13306 B15R0.324 CCCCCCCCSCC(=O)C(=O)OC 62a_100000210759_100011610305 [0,2,0,0,0,0|2,0,0]=4 13307 B15R0.324 CCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210317 [0,2,0,0,0,0|2,0,0]=4 13308 B15R0.324 CCCCCCCCSCC(=O)N(C)CC 62a_100000210759_100000738999 [0,2,0,0,0,0|1,0,0]=3 13309 B15R0.324 CCCCCCCCSCC(=O)N(C)CC 62a_100000738999_100000210317 [0,2,0,0,0,0|1,0,0]=3 13310 B15R0.324 CCCCCCCCSCC(=O)N(C)OC 62a_100000210759_100000764215 [0,2,0,0,0,0|2,0,0]=4 13311 B15R0.324 CCCCCCCCSCC(=O)N(C)OC 62a_100000764215_100000210317 [0,2,0,0,0,0|2,0,0]=4 13312 B15R0.324 CCCCCCOCCCC(=O)N(C)OC 7a_100000210259_100011842776 [0,2,0,0,0,0|2,0,0]=4 13313 B15R0.324 CCCCCCSCCCC(=O)N(C)OC 62a_100000210314_100011842776 [0,2,0,0,0,0|2,0,0]=4 13314 B15R0.324 CCCCCCSCCCC(=O)N(C)OC 62a_100011842776_100000210757 [0,2,0,0,0,0|2,0,0]=4 13315 B15R0.324 CCCCCNCCOCC(=O)N(C)CC 34a_100000224656_100000738999 [0,2,0,0,0,0|2,0,0]=4 13316 B15R0.324 CCCCCOCCOCC(=O)N(C)CC 34a_100011215259_100000738999 [0,2,0,0,0,0|2,0,0]=4 13317 B15R0.324 CCCCCOCCOCC(=O)N(C)CC 7a_100011215259_100000738999 [0,2,0,0,0,0|2,0,0]=4 13318 B15R0.324 CCCCOCCCNCC(=O)N(C)CC 2230a_200000211371_100000738999 [0,2,0,0,0,0|2,0,0]=4 13319 B15R0.324 CCCCOCCCNCC(=O)N(C)CC 34a_200000211371_100000738999 [0,2,0,0,0,0|2,0,0]=4 13320 B15R0.324 CCCCOCCCOCC(=O)N(C)CC 34a_200011215613_100000738999 [0,2,0,0,0,0|2,0,0]=4 13321 B15R0.324 CCCCOCCCOCC(=O)N(C)CC 7a_200011215613_100000738999 [0,2,0,0,0,0|2,0,0]=4 13322 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 11a_100000225621_200009909015 [0,2,0,0,0,0|1,0,0]=3 13323 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 240690a_100000225621_200009909015 [0,2,0,0,0,0|1,0,0]=3 13324 B15R0.324 CCN(C)C(=O)CCCCCCCCCF 527a_100000225621_200009909015 [0,2,0,0,0,0|1,0,0]=3 13325 B15R0.324 CCN(C)C(=O)CCCCCCCCCO 240690a_100000225621_100000032657 [0,2,0,0,0,0|1,0,0]=3 13326 B15R0.324 CCN(C)C(=O)CNCCCCCCCO 2230a_100011996573_100000738999 [0,2,0,0,0,0|2,0,0]=4 13327 B15R0.324 CCN(C)C(=O)CNCCCCCCCO 34a_100011996573_100000738999 [0,2,0,0,0,0|2,0,0]=4 13328 B15R0.324 CCN(C)C(=O)COCCCCCCCBr 34a_100000760002_100000738999 [0,2,0,0,0,0|2,0,0]=4 13329 B15R0.324 CCN(C)C(=O)COCCCCCCCBr 7a_100000760002_100000738999 [0,2,0,0,0,0|2,0,0]=4 13330 B15R0.324 CCN(C)C(=O)COCCCCCCCN 34a_100011996573_100000738999 [0,2,0,0,0,0|2,0,0]=4 13331 B15R0.324 CCN(C)C(=O)COCCCCCCOC 34a_200012092642_100000738999 [0,2,0,0,0,0|2,0,0]=4 13332 B15R0.324 CCN(C)C(=O)COCCCCCCOC 7a_200012092642_100000738999 [0,2,0,0,0,0|2,0,0]=4 13333 B15R0.324 CCN(C)C(=O)CSCCCCCCCO 62a_100000738999_100000760002 [0,2,0,0,0,0|2,0,0]=4 13334 B15R0.324 CCN(C)C(=O)CSCCCCCCCO 62a_100000760002_100000738999 [0,2,0,0,0,0|2,0,0]=4 13335 B15R0.324 CCN(C)C(=O)CSCCCCCCOC 62a_100000738999_100011998445 [0,2,0,0,0,0|2,0,0]=4 13336 B15R0.324 CCN(C)C(=O)CSCCCCCCOC 62a_100011998445_100000738999 [0,2,0,0,0,0|2,0,0]=4 13337 B15R0.324 CCN(C)C(=O)NCCCCCCCCO 2708a_102515433106_100000225621 [0,2,0,0,0,0|2,0,0]=4 13338 B15R0.324 CCN(C)C(=O)NCCCCCCCCO 273464a_102515433106_100000225621 [0,2,0,0,0,0|2,0,0]=4 13339 B15R0.324 CNC(=O)C(=O)CCCCCCCCCO 1458a_100011218921_100009813782 [0,2,0,0,0,0|2,0,0]=4 13340 B15R0.324 COC(C)C(=O)CCCCCCCCCO 1458a_100000743197_100009813782 [0,2,0,0,0,0|2,0,0]=4 13341 B15R0.324 CSC(C)C(=O)CCCCCCCCCO 1458a_100000149566_100009813782 [0,2,0,0,0,0|2,0,0]=4 13342 B15R0.324 O=C(CCCCCCCCCO)C(O)CO 1458a_100011215603_100009813782 [0,2,0,0,0,0|2,0,0]=4 13343 B15R0.1698 CCC(C)C(=O)NCCCCCCC(C)C 11a_100000211014_100011192722 [0,2,0,0,0,0|2,0,0]=4 13344 B15R0.1698 CCC(C)C(=O)NCCCCCCC(C)C 1626a_100000211014_100011192722 [0,2,0,0,0,0|2,0,0]=4 13345 B15R0.1698 CCC(C)C(=O)NCCCCCCC(C)C 240690a_100000211014_100011192722 [0,2,0,0,0,0|2,0,0]=4 13346 B15R0.1698 CCC(C)C(=O)NCCCCCCC(C)C 527a_100000211014_100011192722 [0,2,0,0,0,0|2,0,0]=4 13347 B15R0.1698 CCC(O)C(=O)NCCCCCCC(C)C 240690a_100000211014_100011196387 [0,2,0,0,0,0|2,0,0]=4 13348 B15R0.1698 CCN(C)C(=O)CNCCCCCC(C)C 2230a_100011290863_100000738999 [0,2,0,0,0,0|2,0,0]=4 13349 B15R0.1698 CCN(C)C(=O)CNCCCCCC(C)C 34a_100011290863_100000738999 [0,2,0,0,0,0|2,0,0]=4 13350 B15R0.1698 CCN(C)C(=O)COCCCCCC(C)C 34a_100011995859_100000738999 [0,2,0,0,0,0|2,0,0]=4 13351 B15R0.1698 CCN(C)C(=O)COCCCCCC(C)C 7a_100011995859_100000738999 [0,2,0,0,0,0|2,0,0]=4 13352 B15R0.1698 CCN(C)C(=O)CSCCCCCC(C)C 62a_100000210682_100000738999 [0,2,0,0,0,0|2,0,0]=4 13353 B15R0.1698 CCN(C)C(=O)CSCCCCCC(C)C 62a_100000738999_100000210682 [0,2,0,0,0,0|2,0,0]=4 13354 B15R0.1698 CCN(C)C(=O)NCCCCCCC(C)C 2708a_100000211014_100000225621 [0,2,0,0,0,0|2,0,0]=4 13355 B15R0.1698 CCN(C)C(=O)NCCCCCCC(C)C 273464a_100000211014_100000225621 [0,2,0,0,0,0|2,0,0]=4 13356 B15R0.2012 CCC(C)(C)C(=O)CCCCCCCCO 1458a_100000749717_100000033203 [0,2,0,0,0,0|2,0,0]=4 13357 B15R0.2012 CCC(C)(O)C(=O)CCCCCCCCO 1458a_100011219770_100000033203 [0,2,0,0,0,0|2,0,0]=4 13358 B15R0.2012 CCC(F)(F)C(=O)CCCCCCCCO 1458a_100000061896_100000033203 [0,2,0,0,0,0|2,0,0]=4 13359 B15R0.2012 CCCCCCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210670 [0,2,0,0,0,0|1,0,0]=3 13360 B15R0.2012 CCCCCCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210670 [0,2,0,0,0,0|2,0,0]=4 13361 B15R0.2012 CCCCCCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210670 [0,2,0,0,0,0|2,0,0]=4 13362 B15R0.2012 CCCCCCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210670 [0,2,0,0,0,0|2,0,0]=4 13363 B15R0.2012 CCCCCCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210670 [0,2,0,0,0,0|1,0,0]=3 13364 B15R0.2012 CCCCCCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210670 [0,2,0,0,0,0|1,0,0]=3 13365 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC 11a_100000229939_100000749717 [0,2,0,0,0,0|2,0,0]=4 13366 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC 1626a_100000229939_100000749717 [0,2,0,0,0,0|2,0,0]=4 13367 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC 240690a_100000229939_100000749717 [0,2,0,0,0,0|2,0,0]=4 13368 B15R0.2012 CCCCCCCCNC(=O)C(C)(C)CC 527a_100000229939_100000749717 [0,2,0,0,0,0|2,0,0]=4 13369 B15R0.2012 CCCCCCCCNC(=O)C(C)(O)CC 240690a_100000229939_100011219770 [0,2,0,0,0,0|2,0,0]=4 13370 B15R0.2012 CCCCCCCCNC(=O)C(F)(F)CC 11a_100000229939_100000061896 [0,2,0,0,0,0|2,0,0]=4 13371 B15R0.2012 CCCCCCCCNC(=O)C(F)(F)CC 1626a_100000229939_100000061896 [0,2,0,0,0,0|2,0,0]=4 13372 B15R0.2012 CCCCCCCCNC(=O)C(F)(F)CC 240690a_100000229939_100000061896 [0,2,0,0,0,0|2,0,0]=4 13373 B15R0.2012 CCCCCCCCNC(=O)C(F)(F)CC 527a_100000229939_100000061896 [0,2,0,0,0,0|2,0,0]=4 13374 B15R0.2208 CCCCCC(O)CCCC(=O)N(C)CC 1626a_100000225621_100020618878 [0,2,0,0,0,0|1,0,0]=3 13375 B15R0.2208 CCCCCC(O)CCCC(=O)N(C)CC 240690a_100000225621_100020618878 [0,2,0,0,0,0|1,0,0]=3 13376 B15R0.2208 CCCCCC(O)CCCC(=O)N(C)CC 527a_100000225621_100020618878 [0,2,0,0,0,0|1,0,0]=3 13377 B15R0.3224 CCC(CC)C(=O)CCCCCCCCO 1458a_100000211163_100000033203 [0,2,0,0,0,0|2,0,0]=4 13378 B15R0.3224 CCC(OC)C(=O)CCCCCCCCO 1458a_100000747056_100000033203 [0,2,0,0,0,0|2,0,0]=4 13379 B15R0.3224 CCCCCCCCCC(=O)C(CC)CC 1458a_100000210558_100000210505 [0,2,0,0,0,0|1,0,0]=3 13380 B15R0.3224 CCCCCCCCCC(=O)C(CC)CC 1458a_100000211163_100000210670 [0,2,0,0,0,0|1,0,0]=3 13381 B15R0.3224 CCCCCCCCCC(=O)C(CC)OC 1458a_100000747056_100000210670 [0,2,0,0,0,0|1,0,0]=3 13382 B15R0.3224 CCCCCCCCCC(=O)C(OC)OC 1458a_100000046285_100000210670 [0,2,0,0,0,0|2,0,0]=4 13383 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC 11a_100000724800_100000210558 [0,2,0,0,0,0|1,0,0]=3 13384 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC 1626a_100000724800_100000210558 [0,2,0,0,0,0|1,0,0]=3 13385 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC 240690a_100000724800_100000210558 [0,2,0,0,0,0|1,0,0]=3 13386 B15R0.3224 CCCCCCCCCC(=O)N(CC)CC 527a_100000724800_100000210558 [0,2,0,0,0,0|1,0,0]=3 13387 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC 11a_100000229939_100000211163 [0,2,0,0,0,0|2,0,0]=4 13388 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC 1626a_100000229939_100000211163 [0,2,0,0,0,0|2,0,0]=4 13389 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC 240690a_100000229939_100000211163 [0,2,0,0,0,0|2,0,0]=4 13390 B15R0.3224 CCCCCCCCNC(=O)C(CC)CC 527a_100000229939_100000211163 [0,2,0,0,0,0|2,0,0]=4 13391 B15R0.3224 CCCCCCCCNC(=O)C(CC)OC 11a_100000229939_100000747056 [0,2,0,0,0,0|2,0,0]=4 13392 B15R0.3224 CCCCCCCCNC(=O)C(CC)OC 1626a_100000229939_100000747056 [0,2,0,0,0,0|2,0,0]=4 13393 B15R0.3224 CCCCCCCCNC(=O)C(CC)OC 240690a_100000229939_100000747056 [0,2,0,0,0,0|2,0,0]=4 13394 B15R0.3224 CCCCCCCCNC(=O)C(CC)OC 527a_100000229939_100000747056 [0,2,0,0,0,0|2,0,0]=4 13395 B15R0.3224 CCCCCCCCNC(=O)N(CC)CC 2708a_100000229939_100000724800 [0,2,0,0,0,0|2,0,0]=4 13396 B15R0.3224 CCCCCCCCNC(=O)N(CC)CC 273464a_100000229939_100000724800 [0,2,0,0,0,0|2,0,0]=4 13397 B15R0.3224 CCCCCCCNCC(=O)N(CC)CC 2230a_100000174916_100000210681 [0,2,0,0,0,0|2,0,0]=4 13398 B15R0.3224 CCCCCCCNCC(=O)N(CC)CC 2230a_100000229938_100000211521 [0,2,0,0,0,0|2,0,0]=4 13399 B15R0.3224 CCCCCCCOCC(=O)N(CC)CC 34a_100000210272_100000211521 [0,2,0,0,0,0|2,0,0]=4 13400 B15R0.3224 CCCCCCCOCC(=O)N(CC)CC 7a_100000210272_100000211521 [0,2,0,0,0,0|2,0,0]=4 13401 B15R0.3224 CCCCCCCOCC(=O)N(CC)CC 7a_200000238847_100000210614 [0,2,0,0,0,0|2,0,0]=4 13402 B15R0.3224 CCCCCCCSCC(=O)N(CC)CC 62a_100000210614_100000211521 [0,2,0,0,0,0|2,0,0]=4 13403 B15R0.3224 CCCCCCCSCC(=O)N(CC)CC 62a_100000211521_100000210316 [0,2,0,0,0,0|2,0,0]=4 13404 B15R0.3224 CCCCCCNCCC(=O)N(CC)CC 2230a_100000210581_100011194432 [0,2,0,0,0,0|2,0,0]=4 13405 B15R0.3224 CCCCCCOCCC(=O)N(CC)CC 7a_100000210259_100011194432 [0,2,0,0,0,0|2,0,0]=4 13406 B15R0.3224 CCCCCCSCCC(=O)N(CC)CC 62a_100000210314_100011194432 [0,2,0,0,0,0|2,0,0]=4 13407 B15R0.3224 CCCCCOCCCC(=O)N(CC)CC 7a_100000210253_100000183999 [0,2,0,0,0,0|2,0,0]=4 13408 B15R0.3224 CCCCCSCCCC(=O)N(CC)CC 62a_100000210326_100000183999 [0,2,0,0,0,0|2,0,0]=4 13409 B15R0.3224 CCN(CC)C(=O)CCCCCCCCO 240690a_100000724800_100000015970 [0,2,0,0,0,0|2,0,0]=4 13410 B15R0.136 C#CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100012094781 [0,2,0,0,0,0|0,0,2]=4 13411 B15R0.136 C#CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100012094781 [0,2,0,0,0,0|0,0,2]=4 13412 B15R0.136 C#CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100012094781 [0,2,0,0,0,0|0,0,2]=4 13413 B15R0.136 C#CCCCCNC(C)CCC(=O)OCC 2230a_100000706060_100000748298 [0,2,0,0,0,0|0,0,2]=4 13414 B15R0.136 C#CCCCCNC(C)CCC(=O)OCC 34a_100000706060_100000748298 [0,2,0,0,0,0|0,0,2]=4 13415 B15R0.136 C#CCCCCOC(C)CCC(=O)OCC 34a_100000766709_100000748298 [0,2,0,0,0,0|0,0,2]=4 13416 B15R0.136 C#CCCCCOC(C)CCC(=O)OCC 7a_100000766709_100000748298 [0,2,0,0,0,0|0,0,2]=4 13417 B15R0.136 C#CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100010269958 [0,2,0,0,0,0|0,0,2]=4 13418 B15R0.136 C#CCCCCSC(C)CCC(=O)OCC 62a_100010269958_100000748298 [0,2,0,0,0,0|0,0,2]=4 13419 B15R0.136 C=CCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000700193 [0,2,0,0,0,0|0,0,2]=4 13420 B15R0.136 C=CCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000700193 [0,2,0,0,0,0|0,0,2]=4 13421 B15R0.136 C=CCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000700193 [0,2,0,0,0,0|0,0,2]=4 13422 B15R0.136 C=CCCCCNC(C)CCC(=O)OCC 2230a_100000703577_100000748298 [0,2,0,0,0,0|0,0,2]=4 13423 B15R0.136 C=CCCCCNC(C)CCC(=O)OCC 34a_100000703577_100000748298 [0,2,0,0,0,0|0,0,2]=4 13424 B15R0.136 C=CCCCCOC(C)CCC(=O)OCC 34a_100000766645_100000748298 [0,2,0,0,0,0|0,0,2]=4 13425 B15R0.136 C=CCCCCOC(C)CCC(=O)OCC 7a_100000766645_100000748298 [0,2,0,0,0,0|0,0,2]=4 13426 B15R0.136 C=CCCCCSC(C)CCC(=O)OCC 62a_100000748298_100011215482 [0,2,0,0,0,0|0,0,2]=4 13427 B15R0.136 C=CCCCCSC(C)CCC(=O)OCC 62a_100011215482_100000748298 [0,2,0,0,0,0|0,0,2]=4 13428 B15R0.136 C=COC(=O)COC(C)CCCCCCC 34a_200011215852_100000036128 [0,2,0,0,0,0|0,0,2]=4 13429 B15R0.136 C=COC(=O)CSC(C)CCCCCCC 62a_100000036128_200011218727 [0,2,0,0,0,0|0,0,2]=4 13430 B15R0.136 C=COC(=O)CSC(C)CCCCCCC 62a_200011218727_100000036128 [0,2,0,0,0,0|0,0,2]=4 13431 B15R0.136 CC/C=C\CCOC(C)CCC(=O)OCC 34a_100016288707_100000748298 [0,2,0,0,0,0|0,0,2]=4 13432 B15R0.136 CC/C=C\CCOC(C)CCC(=O)OCC 7a_100016288707_100000748298 [0,2,0,0,0,0|0,0,2]=4 13433 B15R0.136 CC/C=C\CCSC(C)CCC(=O)OCC 62a_100000748298_100015370543 [0,2,0,0,0,0|0,0,2]=4 13434 B15R0.136 CC/C=C\CCSC(C)CCC(=O)OCC 62a_100015370543_100000748298 [0,2,0,0,0,0|0,0,2]=4 13435 B15R0.136 CC=CCCCOC(C)CCC(=O)OCC 34a_100020645299_100000748298 [0,2,0,0,0,0|0,0,2]=4 13436 B15R0.136 CCC#CCCOC(C)CCC(=O)OCC 34a_100000036655_100000748298 [0,2,0,0,0,0|0,0,2]=4 13437 B15R0.136 CCC#CCCOC(C)CCC(=O)OCC 7a_100000036655_100000748298 [0,2,0,0,0,0|0,0,2]=4 13438 B15R0.136 CCC/C=C/COC(C)CCC(=O)OCC 34a_100016278788_100000748298 [0,2,0,0,0,0|0,0,2]=4 13439 B15R0.136 CCC/C=C/COC(C)CCC(=O)OCC 7a_100016278788_100000748298 [0,2,0,0,0,0|0,0,2]=4 13440 B15R0.136 CCCC#CCOC(C)CCC(=O)OCC 34a_100000034806_100000748298 [0,2,0,0,0,0|0,0,2]=4 13441 B15R0.136 CCCC#CCOC(C)CCC(=O)OCC 7a_100000034806_100000748298 [0,2,0,0,0,0|0,0,2]=4 13442 B15R0.136 CCCCCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210614 [0,2,0,0,0,0|0,0,2]=4 13443 B15R0.136 CCCCCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210614 [0,2,0,0,0,0|1,0,0]=3 13444 B15R0.136 CCCCCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210614 [0,2,0,0,0,0|0,0,0]=2 13445 B15R0.136 CCCCCCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210614 [0,2,0,0,0,0|0,0,1]=3 13446 B15R0.136 CCCCCCCC(=O)COC(=O)CCC 1458a_100000211969_100000034017 [0,2,0,0,0,0|1,0,1]=4 13447 B15R0.136 CCCCCCCC(=O)NCC(=O)CCC 1458a_100000691742_100000210303 [0,2,0,0,0,0|1,0,1]=4 13448 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 11a_100015525214_100000691742 [0,2,0,0,0,0|1,0,1]=4 13449 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 11a_100016988866_100000211969 [0,2,0,0,0,0|1,0,1]=4 13450 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211969 [0,2,0,0,0,0|1,0,1]=4 13451 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 240690a_100015525214_100000691742 [0,2,0,0,0,0|1,0,1]=4 13452 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211969 [0,2,0,0,0,0|1,0,1]=4 13453 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 527a_100015525214_100000691742 [0,2,0,0,0,0|1,0,1]=4 13454 B15R0.136 CCCCCCCC(=O)NCC(=O)NCC 527a_100016988866_100000211969 [0,2,0,0,0,0|1,0,1]=4 13455 B15R0.136 CCCCCCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211969 [0,2,0,0,0,0|0,0,1]=3 13456 B15R0.136 CCCCCCCC(=O)OCC(=O)CCC 1458a_100000211992_100009852258 [0,2,0,0,0,0|1,0,1]=4 13457 B15R0.136 CCCCCCCC(C)NCC(=O)NCC 2230a_100016988866_200011218727 [0,2,0,0,0,0|1,0,0]=3 13458 B15R0.136 CCCCCCCC(C)NCC(=O)NCC 270004a_100016988866_100000210596 [0,2,0,0,0,0|1,0,0]=3 13459 B15R0.136 CCCCCCCC(C)OCC(=O)CCC 7a_200011215852_100000747444 [0,2,0,0,0,0|1,0,0]=3 13460 B15R0.136 CCCCCCCC(C)OCC(=O)NCC 34a_200011215852_100000183381 [0,2,0,0,0,0|1,0,0]=3 13461 B15R0.136 CCCCCCCC(C)OCC(=O)NCC 7a_200011215852_100000183381 [0,2,0,0,0,0|1,0,0]=3 13462 B15R0.136 CCCCCCCC(C)OCC(=O)NCO 34a_200011215852_100000185155 [0,2,0,0,0,0|2,0,0]=4 13463 B15R0.136 CCCCCCCC(C)OCC(=O)NCO 7a_200011215852_100000185155 [0,2,0,0,0,0|2,0,0]=4 13464 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 34a_200011215852_100000188475 [0,2,0,0,0,0|0,0,0]=2 13465 B15R0.136 CCCCCCCC(C)OCC(=O)OCC 7a_200011215852_100000188475 [0,2,0,0,0,0|0,0,0]=2 13466 B15R0.136 CCCCCCCC(C)SCC(=O)CCC 62a_100000747444_200011218727 [0,2,0,0,0,0|1,0,0]=3 13467 B15R0.136 CCCCCCCC(C)SCC(=O)CCC 62a_200011218727_100000747444 [0,2,0,0,0,0|1,0,0]=3 13468 B15R0.136 CCCCCCCC(C)SCC(=O)NCC 62a_100000183381_200011218727 [0,2,0,0,0,0|1,0,0]=3 13469 B15R0.136 CCCCCCCC(C)SCC(=O)NCC 62a_200011218727_100000183381 [0,2,0,0,0,0|1,0,0]=3 13470 B15R0.136 CCCCCCCC(C)SCC(=O)NCO 62a_100000185155_200011218727 [0,2,0,0,0,0|2,0,0]=4 13471 B15R0.136 CCCCCCCC(C)SCC(=O)NCO 62a_200011218727_100000185155 [0,2,0,0,0,0|2,0,0]=4 13472 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_100000188475_200011218727 [0,2,0,0,0,0|0,0,0]=2 13473 B15R0.136 CCCCCCCC(C)SCC(=O)OCC 62a_200011218727_100000188475 [0,2,0,0,0,0|0,0,0]=2 13474 B15R0.136 CCCCCCCN(C)CCC(=O)NCC 2230a_100000228206_100000737597 [0,2,0,0,0,0|1,0,0]=3 13475 B15R0.136 CCCCCCCN(C)CCC(=O)NCC 269982a_100000228206_100000737597 [0,2,0,0,0,0|1,0,0]=3 13476 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000228206_100011206558 [0,2,0,0,0,0|0,0,0]=2 13477 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 2230a_100000745921_100000210681 [0,2,0,0,0,0|0,0,0]=2 13478 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000228206_100011206558 [0,2,0,0,0,0|0,0,0]=2 13479 B15R0.136 CCCCCCCN(C)CCC(=O)OCC 269982a_100000745921_100000210681 [0,2,0,0,0,0|0,0,0]=2 13480 B15R0.136 CCCCCCCN(C)COC(=O)CCC 2230a_100000228206_100000034017 [0,2,0,0,0,0|2,0,0]=4 13481 B15R0.136 CCCCCCCN(C)COC(=O)CCC 269982a_100000228206_100000034017 [0,2,0,0,0,0|2,0,0]=4 13482 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 11a_100000210581_100000199579 [0,2,0,0,0,0|1,0,1]=4 13483 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 1626a_100000210581_100000199579 [0,2,0,0,0,0|1,0,1]=4 13484 B15R0.136 CCCCCCNC(=O)CCC(=O)NCC 240690a_100000210581_100000199579 [0,2,0,0,0,0|1,0,1]=4 13485 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 11a_100000210581_100000183558 [0,2,0,0,0,0|0,0,1]=3 13486 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 1626a_100000210581_100000183558 [0,2,0,0,0,0|0,0,1]=3 13487 B15R0.136 CCCCCCNC(=O)CCC(=O)OCC 240690a_100000210581_100000183558 [0,2,0,0,0,0|0,0,1]=3 13488 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 11a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 13489 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 1626a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 13490 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 240690a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 13491 B15R0.136 CCCCCCNC(=O)CNC(=O)OCC 527a_100000210581_100000190774 [0,2,0,0,0,0|1,0,1]=4 13492 B15R0.136 CCCCCCNC(C)CCC(=O)OCC 2230a_100000210581_100000748298 [0,2,0,0,0,0|0,0,0]=2 13493 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 34a_100000210259_100000748298 [0,2,0,0,0,0|0,0,0]=2 13494 B15R0.136 CCCCCCOC(C)CCC(=O)OCC 7a_100000210259_100000748298 [0,2,0,0,0,0|0,0,0]=2 13495 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000210314_100000748298 [0,2,0,0,0,0|0,0,0]=2 13496 B15R0.136 CCCCCCSC(C)CCC(=O)OCC 62a_100000748298_100000210757 [0,2,0,0,0,0|0,0,0]=2 13497 B15R0.136 CCCCCNCC(=O)NCC(=O)OCC 2230a_100000209983_100011215850 [0,2,0,0,0,0|1,0,1]=4 13498 B15R0.136 CCCCCNN=C(C)CCC(=O)OCC 4a_100000694160_100011212338 [0,2,0,0,0,0|1,0,1]=4 13499 B15R0.136 CCCCCOCC(=O)NCC(=O)OCC 34a_100000210253_100011215850 [0,2,0,0,0,0|1,0,1]=4 13500 B15R0.136 CCCCCOCC(=O)NCC(=O)OCC 7a_100000210253_100011215850 [0,2,0,0,0,0|1,0,1]=4 13501 B15R0.136 CCCCCSCC(=O)NCC(=O)OCC 62a_100000210326_100011215850 [0,2,0,0,0,0|1,0,1]=4 13502 B15R0.136 CCCCCSCC(=O)NCC(=O)OCC 62a_100011215850_100000210326 [0,2,0,0,0,0|1,0,1]=4 13503 B15R0.136 CCCCOCCC(=O)CCC(=O)NCC 1458a_100000199579_100000743108 [0,2,0,0,0,0|1,0,1]=4 13504 B15R0.136 CCCCOCCC(=O)CCC(=O)OCC 1458a_100000183558_100000743108 [0,2,0,0,0,0|0,0,1]=3 13505 B15R0.136 CCCCOCCC(=O)CNC(=O)OCC 1458a_100000190774_100000743108 [0,2,0,0,0,0|1,0,1]=4 13506 B15R0.136 CCCCOCCN(C)CCC(=O)OCC 2230a_100000745921_100000743108 [0,2,0,0,0,0|1,0,0]=3 13507 B15R0.136 CCCCOCCN(C)CCC(=O)OCC 269982a_100000745921_100000743108 [0,2,0,0,0,0|1,0,0]=3 13508 B15R0.136 CCCCOCSC(C)CCC(=O)OCC 62a_100000748298_100011995733 [0,2,0,0,0,0|1,0,0]=3 13509 B15R0.136 CCCCOCSC(C)CCC(=O)OCC 62a_100011995733_100000748298 [0,2,0,0,0,0|1,0,0]=3 13510 B15R0.136 CCCOCCNC(=O)CCC(=O)OCC 1626a_100161115042_100000183558 [0,2,0,0,0,0|1,0,1]=4 13511 B15R0.136 CCCOCCNC(=O)CCC(=O)OCC 240690a_100161115042_100000183558 [0,2,0,0,0,0|1,0,1]=4 13512 B15R0.136 CCCOCCNC(C)CCC(=O)OCC 2230a_100161115042_100000748298 [0,2,0,0,0,0|1,0,0]=3 13513 B15R0.136 CCCOCCNC(C)CCC(=O)OCC 34a_100161115042_100000748298 [0,2,0,0,0,0|1,0,0]=3 13514 B15R0.136 CCCOCCOC(C)CCC(=O)OCC 34a_100000752267_100000748298 [0,2,0,0,0,0|1,0,0]=3 13515 B15R0.136 CCCOCCOC(C)CCC(=O)OCC 7a_100000752267_100000748298 [0,2,0,0,0,0|1,0,0]=3 13516 B15R0.136 CCCOCCSC(C)CCC(=O)OCC 62a_100000748298_100011215938 [0,2,0,0,0,0|1,0,0]=3 13517 B15R0.136 CCCOCCSC(C)CCC(=O)OCC 62a_100011215938_100000748298 [0,2,0,0,0,0|1,0,0]=3 13518 B15R0.136 CCCSCCNC(=O)CCC(=O)OCC 11a_100020603323_100000183558 [0,2,0,0,0,0|1,0,1]=4 13519 B15R0.136 CCCSCCNC(=O)CCC(=O)OCC 240690a_100020603323_100000183558 [0,2,0,0,0,0|1,0,1]=4 13520 B15R0.136 CCCSCCNC(C)CCC(=O)OCC 2230a_100020603323_100000748298 [0,2,0,0,0,0|1,0,0]=3 13521 B15R0.136 CCCSCCOC(C)CCC(=O)OCC 34a_200000230433_100000748298 [0,2,0,0,0,0|1,0,0]=3 13522 B15R0.136 CCCSCCOC(C)CCC(=O)OCC 7a_200000230433_100000748298 [0,2,0,0,0,0|1,0,0]=3 13523 B15R0.136 CCNC(=O)CCC(=O)CCCCCCF 1458a_100000199579_100015922095 [0,2,0,0,0,0|1,0,1]=4 13524 B15R0.136 CCNC(=O)CCC(=O)CCCCCCO 1458a_100000199579_100000766143 [0,2,0,0,0,0|1,0,1]=4 13525 B15R0.136 CCOC(=O)CCC(=O)CCCCCC#N 1458a_100000183558_100009813376 [0,2,0,0,0,0|0,0,2]=4 13526 B15R0.136 CCOC(=O)CCC(=O)CCCCCCF 1458a_100000183558_100015922095 [0,2,0,0,0,0|0,0,1]=3 13527 B15R0.136 CCOC(=O)CCC(=O)CCCCCCO 1458a_100000183558_100000766143 [0,2,0,0,0,0|0,0,1]=3 13528 B15R0.136 CCOC(=O)CCC(=O)CCOCCOC 1458a_100000183558_100000695917 [0,2,0,0,0,0|1,0,1]=4 13529 B15R0.136 CCOC(=O)CCC(=O)NCCCCCO 240690a_100000762737_100000183558 [0,2,0,0,0,0|1,0,1]=4 13530 B15R0.136 CCOC(=O)CCC(C)NCCCCCO 2230a_100000762737_100000748298 [0,2,0,0,0,0|1,0,0]=3 13531 B15R0.136 CCOC(=O)CCC(C)NCCCCCO 34a_100000762737_100000748298 [0,2,0,0,0,0|1,0,0]=3 13532 B15R0.136 CCOC(=O)CCC(C)NCCOCCO 2230a_100000211614_100000748298 [0,2,0,0,0,0|2,0,0]=4 13533 B15R0.136 CCOC(=O)CCC(C)NCCOCCO 34a_100000211614_100000748298 [0,2,0,0,0,0|2,0,0]=4 13534 B15R0.136 CCOC(=O)CCC(C)NCCSCCO 2230a_100011219999_100000748298 [0,2,0,0,0,0|2,0,0]=4 13535 B15R0.136 CCOC(=O)CCC(C)OCCCCCBr 34a_100000746331_100000748298 [0,2,0,0,0,0|1,0,0]=3 13536 B15R0.136 CCOC(=O)CCC(C)OCCCCCBr 7a_100000746331_100000748298 [0,2,0,0,0,0|1,0,0]=3 13537 B15R0.136 CCOC(=O)CCC(C)OCCCCCCl 34a_100000746330_100000748298 [0,2,0,0,0,0|1,0,0]=3 13538 B15R0.136 CCOC(=O)CCC(C)OCCCCCCl 7a_100000746330_100000748298 [0,2,0,0,0,0|1,0,0]=3 13539 B15R0.136 CCOC(=O)CCC(C)OCCCCCI 34a_200012148887_100000748298 [0,2,0,0,0,0|1,0,0]=3 13540 B15R0.136 CCOC(=O)CCC(C)OCCCCCI 7a_200012148887_100000748298 [0,2,0,0,0,0|1,0,0]=3 13541 B15R0.136 CCOC(=O)CCC(C)OCCCCCN 34a_100000762737_100000748298 [0,2,0,0,0,0|1,0,0]=3 13542 B15R0.136 CCOC(=O)CCC(C)OCCCCOC 34a_100000740925_100000748298 [0,2,0,0,0,0|1,0,0]=3 13543 B15R0.136 CCOC(=O)CCC(C)OCCCCSC 34a_100011217163_100000748298 [0,2,0,0,0,0|1,0,0]=3 13544 B15R0.136 CCOC(=O)CCC(C)OCCCCSC 7a_100011217163_100000748298 [0,2,0,0,0,0|1,0,0]=3 13545 B15R0.136 CCOC(=O)CCC(C)OCCCSCC 34a_100011216438_100000748298 [0,2,0,0,0,0|1,0,0]=3 13546 B15R0.136 CCOC(=O)CCC(C)OCCCSCC 7a_100011216438_100000748298 [0,2,0,0,0,0|1,0,0]=3 13547 B15R0.136 CCOC(=O)CCC(C)OCCOCCBr 34a_100000692535_100000748298 [0,2,0,0,0,0|2,0,0]=4 13548 B15R0.136 CCOC(=O)CCC(C)OCCOCCBr 7a_100000692535_100000748298 [0,2,0,0,0,0|2,0,0]=4 13549 B15R0.136 CCOC(=O)CCC(C)OCCOCCCl 34a_100011215305_100000748298 [0,2,0,0,0,0|2,0,0]=4 13550 B15R0.136 CCOC(=O)CCC(C)OCCOCCCl 7a_100011215305_100000748298 [0,2,0,0,0,0|2,0,0]=4 13551 B15R0.136 CCOC(=O)CCC(C)OCCOCCF 34a_200015357709_100000748298 [0,2,0,0,0,0|2,0,0]=4 13552 B15R0.136 CCOC(=O)CCC(C)OCCOCCF 7a_200015357709_100000748298 [0,2,0,0,0,0|2,0,0]=4 13553 B15R0.136 CCOC(=O)CCC(C)OCCOCCI 34a_100012149058_100000748298 [0,2,0,0,0,0|2,0,0]=4 13554 B15R0.136 CCOC(=O)CCC(C)OCCOCCI 7a_100012149058_100000748298 [0,2,0,0,0,0|2,0,0]=4 13555 B15R0.136 CCOC(=O)CCC(C)OCCOCCN 34a_100000211614_100000748298 [0,2,0,0,0,0|2,0,0]=4 13556 B15R0.136 CCOC(=O)CCC(C)SCCCCC#N 62a_100000748298_100000211819 [0,2,0,0,0,0|1,0,1]=4 13557 B15R0.136 CCOC(=O)CCC(C)SCCCCC#N 62a_100011219923_100000748298 [0,2,0,0,0,0|1,0,1]=4 13558 B15R0.136 CCOC(=O)CCC(C)SCCCCC=O 62a_100000139335_100000748298 [0,2,0,0,0,0|1,0,1]=4 13559 B15R0.136 CCOC(=O)CCC(C)SCCCCC=O 62a_100000748298_100000139335 [0,2,0,0,0,0|1,0,1]=4 13560 B15R0.136 CCOC(=O)CCC(C)SCCCCCF 62a_100000729378_100000748298 [0,2,0,0,0,0|1,0,0]=3 13561 B15R0.136 CCOC(=O)CCC(C)SCCCCCF 62a_100000748298_100000729378 [0,2,0,0,0,0|1,0,0]=3 13562 B15R0.136 CCOC(=O)CCC(C)SCCCCCO 62a_100000746330_100000748298 [0,2,0,0,0,0|1,0,0]=3 13563 B15R0.136 CCOC(=O)CCC(C)SCCCCCO 62a_100000748298_100000746330 [0,2,0,0,0,0|1,0,0]=3 13564 B15R0.136 CCOC(=O)CCC(C)SCCCCOC 62a_100000730899_100000748298 [0,2,0,0,0,0|1,0,0]=3 13565 B15R0.136 CCOC(=O)CCC(C)SCCCCOC 62a_100000748298_100000730899 [0,2,0,0,0,0|1,0,0]=3 13566 B15R0.136 CCOC(=O)CCC(C)SCCOCCO 62a_100000748298_100011215305 [0,2,0,0,0,0|2,0,0]=4 13567 B15R0.136 CCOC(=O)CCC(C)SCCOCCO 62a_100011215305_100000748298 [0,2,0,0,0,0|2,0,0]=4 13568 B15R0.136 CCOC(=O)CCC(C)SCOCCOC 62a_100000231047_100000748298 [0,2,0,0,0,0|2,0,0]=4 13569 B15R0.136 CCOC(=O)CCC(C)SCOCCOC 62a_100000748298_100000231047 [0,2,0,0,0,0|2,0,0]=4 13570 B15R0.136 CCOC(=O)CCN(C)CCCCCC#N 2230a_100000745921_100009813376 [0,2,0,0,0,0|1,0,1]=4 13571 B15R0.136 CCOC(=O)CCN(C)CCCCCC#N 269982a_100000745921_100009813376 [0,2,0,0,0,0|1,0,1]=4 13572 B15R0.136 CCOC(=O)CCN(C)CCCCCC=O 2230a_100000745921_100000139337 [0,2,0,0,0,0|1,0,1]=4 13573 B15R0.136 CCOC(=O)CCN(C)CCCCCC=O 269982a_100000745921_100000139337 [0,2,0,0,0,0|1,0,1]=4 13574 B15R0.136 CCOC(=O)CCN(C)CCCCCCF 2230a_100000745921_100015922095 [0,2,0,0,0,0|1,0,0]=3 13575 B15R0.136 CCOC(=O)CCN(C)CCCCCCF 269982a_100000745921_100015922095 [0,2,0,0,0,0|1,0,0]=3 13576 B15R0.136 CCOC(=O)CCN(C)CCCCCCO 2230a_100000745921_100000766143 [0,2,0,0,0,0|1,0,0]=3 13577 B15R0.136 CCOC(=O)CCN(C)CCCCCCO 269982a_100000745921_100000766143 [0,2,0,0,0,0|1,0,0]=3 13578 B15R0.136 CCOC(=O)CCN(C)CCOCCOC 2230a_100000745921_100000695917 [0,2,0,0,0,0|2,0,0]=4 13579 B15R0.136 CCOC(=O)CCN(C)CCOCCOC 269982a_100000745921_100000695917 [0,2,0,0,0,0|2,0,0]=4 13580 B15R0.136 CCOC(=O)CNC(=O)CCCCCCO 188690a_100000741813_100011996774 [0,2,0,0,0,0|1,0,1]=4 13581 B15R0.136 CCOC(=O)CNC(=O)CCCCCOC 188690a_100000741813_100011935119 [0,2,0,0,0,0|1,0,1]=4 13582 B15R0.136 CCOC(=O)NCC(=O)CCCCCCF 1458a_100000190774_100015922095 [0,2,0,0,0,0|1,0,1]=4 13583 B15R0.136 CCOC(=O)NCC(=O)CCCCCCO 1458a_100000190774_100000766143 [0,2,0,0,0,0|1,0,1]=4 13584 B15R0.136 CCOCCCNC(=O)CCC(=O)OCC 11a_100000210961_100000183558 [0,2,0,0,0,0|1,0,1]=4 13585 B15R0.136 CCOCCCNC(=O)CCC(=O)OCC 1626a_100000210961_100000183558 [0,2,0,0,0,0|1,0,1]=4 13586 B15R0.136 CCOCCCNC(=O)CCC(=O)OCC 240690a_100000210961_100000183558 [0,2,0,0,0,0|1,0,1]=4 13587 B15R0.136 CCOCCCNC(C)CCC(=O)OCC 2230a_100000210961_100000748298 [0,2,0,0,0,0|1,0,0]=3 13588 B15R0.136 CCOCCCNC(C)CCC(=O)OCC 34a_100000210961_100000748298 [0,2,0,0,0,0|1,0,0]=3 13589 B15R0.136 CCOCCCOC(C)CCC(=O)OCC 34a_100000757476_100000748298 [0,2,0,0,0,0|1,0,0]=3 13590 B15R0.136 CCOCCCOC(C)CCC(=O)OCC 7a_100000757476_100000748298 [0,2,0,0,0,0|1,0,0]=3 13591 B15R0.136 CCOCCCSC(C)CCC(=O)OCC 62a_100000748298_100012232248 [0,2,0,0,0,0|1,0,0]=3 13592 B15R0.136 CCOCCCSC(C)CCC(=O)OCC 62a_100012232248_100000748298 [0,2,0,0,0,0|1,0,0]=3 13593 B15R0.187 CC(C)OC(=O)CCC(=O)CCCCCO 1458a_100102619762_100000760027 [0,2,0,0,0,0|1,0,1]=4 13594 B15R0.187 CC(C)OC(=O)CCN(C)CCCCCO 2230a_100000722520_100000760027 [0,2,0,0,0,0|2,0,0]=4 13595 B15R0.187 CC(C)OC(=O)CCN(C)CCCCCO 269982a_100000722520_100000760027 [0,2,0,0,0,0|2,0,0]=4 13596 B15R0.187 CCCCCCC(=O)CCC(=O)NC(C)C 1458a_100102632555_100000737564 [0,2,0,0,0,0|1,0,1]=4 13597 B15R0.187 CCCCCCC(=O)CCC(=O)OC(C)C 1458a_100102632555_100000760027 [0,2,0,0,0,0|0,0,1]=3 13598 B15R0.187 CCCCCCC(=O)COC(=O)OC(C)C 1458a_100102632555_100000003507 [0,2,0,0,0,0|1,0,1]=4 13599 B15R0.187 CCCCCCC(C)NCC(=O)NC(C)C 2230a_100000168517_100011215978 [0,2,0,0,0,0|2,0,0]=4 13600 B15R0.187 CCCCCCC(C)NCC(=O)NC(C)C 2230a_100000210919_100000183996 [0,2,0,0,0,0|2,0,0]=4 13601 B15R0.187 CCCCCCC(C)NCC(=O)NC(C)C 270004a_100000168517_100000210826 [0,2,0,0,0,0|2,0,0]=4 13602 B15R0.187 CCCCCCC(C)NCC(=O)NC(C)C 34a_100000210919_100000183996 [0,2,0,0,0,0|2,0,0]=4 13603 B15R0.187 CCCCCCC(C)NCC(=O)OC(C)C 2230a_100000210919_100011215430 [0,2,0,0,0,0|1,0,0]=3 13604 B15R0.187 CCCCCCC(C)NCC(=O)OC(C)C 34a_100000210919_100011215430 [0,2,0,0,0,0|1,0,0]=3 13605 B15R0.187 CCCCCCC(C)OCC(=O)NC(C)C 34a_100000210265_100000183996 [0,2,0,0,0,0|2,0,0]=4 13606 B15R0.187 CCCCCCC(C)OCC(=O)NC(C)C 7a_100000210265_100000183996 [0,2,0,0,0,0|2,0,0]=4 13607 B15R0.187 CCCCCCC(C)OCC(=O)OC(C)C 34a_100000210265_100011215430 [0,2,0,0,0,0|1,0,0]=3 13608 B15R0.187 CCCCCCC(C)OCC(=O)OC(C)C 7a_100000210265_100011215430 [0,2,0,0,0,0|1,0,0]=3 13609 B15R0.187 CCCCCCC(C)SCC(=O)NC(C)C 62a_100000183996_100011215978 [0,2,0,0,0,0|2,0,0]=4 13610 B15R0.187 CCCCCCC(C)SCC(=O)NC(C)C 62a_100011215978_100000183996 [0,2,0,0,0,0|2,0,0]=4 13611 B15R0.187 CCCCCCC(C)SCC(=O)OC(C)C 62a_100011215430_100011215978 [0,2,0,0,0,0|1,0,0]=3 13612 B15R0.187 CCCCCCC(C)SCC(=O)OC(C)C 62a_100011215978_100011215430 [0,2,0,0,0,0|1,0,0]=3 13613 B15R0.187 CCCCCCN(C)CCC(=O)NC(C)C 2230a_106256046315_100000737564 [0,2,0,0,0,0|2,0,0]=4 13614 B15R0.187 CCCCCCN(C)CCC(=O)NC(C)C 269982a_106256046315_100000737564 [0,2,0,0,0,0|2,0,0]=4 13615 B15R0.187 CCCCCCN(C)CCC(=O)OC(C)C 2230a_106256046315_100000760027 [0,2,0,0,0,0|1,0,0]=3 13616 B15R0.187 CCCCCCN(C)CCC(=O)OC(C)C 269982a_106256046315_100000760027 [0,2,0,0,0,0|1,0,0]=3 13617 B15R0.187 CCCCCCN(C)COC(=O)OC(C)C 269982a_106256046315_100010125566 [0,2,0,0,0,0|2,0,0]=4 13618 B15R0.187 CCCCOCC(=O)CCC(=O)OC(C)C 1458a_100000757543_100000760027 [0,2,0,0,0,0|1,0,1]=4 13619 B15R0.187 CCCCOCC(C)OCC(=O)OC(C)C 34a_100011217071_100011215430 [0,2,0,0,0,0|2,0,0]=4 13620 B15R0.187 CCCCOCC(C)OCC(=O)OC(C)C 7a_100011217071_100011215430 [0,2,0,0,0,0|2,0,0]=4 13621 B15R0.187 CCCCSCC(=O)CCC(=O)OC(C)C 1458a_100000191162_100000760027 [0,2,0,0,0,0|1,0,1]=4 13622 B15R0.1781 CCCCCCC(C)(C)OCC(=O)CCC 7a_200011995690_100000747444 [0,2,0,0,0,0|2,0,0]=4 13623 B15R0.1781 CCCCCCC(C)(C)OCC(=O)NCC 7a_200011995690_100000183381 [0,2,0,0,0,0|2,0,0]=4 13624 B15R0.1781 CCCCCCC(C)(C)OCC(=O)OCC 7a_200011995690_100000188475 [0,2,0,0,0,0|1,0,0]=3 13625 B15R0.1781 CCOC(=O)COC(C)(C)CCCCCBr 7a_100010402123_100000188475 [0,2,0,0,0,0|2,0,0]=4 13626 B15R0.2061 C=C(CNC(C)CCCCCC)OCOC 34a_100000210919_100000042856 [0,2,0,0,0,0|2,0,0]=4 13627 B15R0.2061 C=C(COC(C)CCCCCC)OCOC 34a_100000210265_100000042856 [0,2,0,0,0,0|2,0,0]=4 13628 B15R0.2061 C=C(CSC(C)CCCCCC)OCOC 62a_100000042856_100011215978 [0,2,0,0,0,0|2,0,0]=4 13629 B15R0.2061 C=C(CSC(C)CCCCCC)OCOC 62a_100011215978_100000042856 [0,2,0,0,0,0|2,0,0]=4 13630 B15R0.2061 C=CCOC(=O)CNC(C)CCCCCC 2230a_100000210919_100000033060 [0,2,0,0,0,0|1,0,1]=4 13631 B15R0.2061 C=CCOC(=O)CNC(C)CCCCCC 34a_100000210919_100000033060 [0,2,0,0,0,0|1,0,1]=4 13632 B15R0.2061 C=CCOC(=O)COC(C)CCCCCC 34a_100000210265_100000033060 [0,2,0,0,0,0|1,0,1]=4 13633 B15R0.2061 C=CCOC(=O)COC(C)CCCCCC 7a_100000210265_100000033060 [0,2,0,0,0,0|1,0,1]=4 13634 B15R0.2061 C=CCOC(=O)CSC(C)CCCCCC 62a_100000033060_100011215978 [0,2,0,0,0,0|1,0,1]=4 13635 B15R0.2061 C=CCOC(=O)CSC(C)CCCCCC 62a_100011215978_100000033060 [0,2,0,0,0,0|1,0,1]=4 13636 B15R0.2061 CCCCCCC(=O)CCC(=O)NCCC 1458a_100000199543_100000210757 [0,2,0,0,0,0|1,0,1]=4 13637 B15R0.2061 CCCCCCC(=O)COC(=O)OCCC 1458a_100102632555_200000139673 [0,2,0,0,0,0|1,0,1]=4 13638 B15R0.2061 CCCCCCC(C)NCC(=O)NCCC 2230a_100000174927_100011215978 [0,2,0,0,0,0|2,0,0]=4 13639 B15R0.2061 CCCCCCC(C)NCC(=O)NCCC 2230a_100000210919_100000183358 [0,2,0,0,0,0|2,0,0]=4 13640 B15R0.2061 CCCCCCC(C)NCC(=O)NCCC 270004a_100000174927_100000210826 [0,2,0,0,0,0|2,0,0]=4 13641 B15R0.2061 CCCCCCC(C)NCC(=O)NCCC 34a_100000210919_100000183358 [0,2,0,0,0,0|2,0,0]=4 13642 B15R0.2061 CCCCCCC(C)NCC(=O)NCCF 2230a_100000725713_100011215978 [0,2,0,0,0,0|2,0,0]=4 13643 B15R0.2061 CCCCCCC(C)NCC(=O)NCCF 270004a_100000725713_100000210826 [0,2,0,0,0,0|2,0,0]=4 13644 B15R0.2061 CCCCCCC(C)NCC(=O)OCCC 2230a_100000210919_200011215008 [0,2,0,0,0,0|1,0,0]=3 13645 B15R0.2061 CCCCCCC(C)NCC(=O)OCCC 34a_100000210919_200011215008 [0,2,0,0,0,0|1,0,0]=3 13646 B15R0.2061 CCCCCCC(C)OCC(=O)NCCC 34a_100000210265_100000183358 [0,2,0,0,0,0|2,0,0]=4 13647 B15R0.2061 CCCCCCC(C)OCC(=O)NCCC 7a_100000210265_100000183358 [0,2,0,0,0,0|2,0,0]=4 13648 B15R0.2061 CCCCCCC(C)OCC(=O)OCCC 34a_100000210265_200011215008 [0,2,0,0,0,0|1,0,0]=3 13649 B15R0.2061 CCCCCCC(C)OCC(=O)OCCC 7a_100000210265_200011215008 [0,2,0,0,0,0|1,0,0]=3 13650 B15R0.2061 CCCCCCC(C)SCC(=O)NCCC 62a_100000183358_100011215978 [0,2,0,0,0,0|2,0,0]=4 13651 B15R0.2061 CCCCCCC(C)SCC(=O)NCCC 62a_100011215978_100000183358 [0,2,0,0,0,0|2,0,0]=4 13652 B15R0.2061 CCCCCCC(C)SCC(=O)OCCC 62a_100011215978_200011215008 [0,2,0,0,0,0|1,0,0]=3 13653 B15R0.2061 CCCCCCC(C)SCC(=O)OCCC 62a_200011215008_100011215978 [0,2,0,0,0,0|1,0,0]=3 13654 B15R0.2061 CCCCCCN(C)COC(=O)OCCC 269982a_106256046315_200000139673 [0,2,0,0,0,0|2,0,0]=4 13655 B15R0.2061 CCCCOCC(C)OCC(=O)OCCC 34a_100011217071_200011215008 [0,2,0,0,0,0|2,0,0]=4 13656 B15R0.2061 CCCCOCC(C)OCC(=O)OCCC 7a_100011217071_200011215008 [0,2,0,0,0,0|2,0,0]=4 13657 B15R0.2140 CCCCCC(=O)C(C)CCC(=O)OCC 1458a_100000212188_100000748298 [0,2,0,0,0,0|0,0,1]=3 13658 B15R0.2140 CCCCCC(=O)N(C)CCC(=O)OCC 11a_100000745921_100000212188 [0,2,0,0,0,0|1,0,1]=4 13659 B15R0.2140 CCCCCC(=O)N(C)CCC(=O)OCC 1626a_100000745921_100000212188 [0,2,0,0,0,0|1,0,1]=4 13660 B15R0.2140 CCCCCC(=O)N(C)CCC(=O)OCC 240690a_100000745921_100000212188 [0,2,0,0,0,0|1,0,1]=4 13661 B15R0.2140 CCCCCC(=O)N(C)CCC(=O)OCC 527a_100000745921_100000212188 [0,2,0,0,0,0|1,0,1]=4 13662 B15R0.2140 CCCCCC(C)C(=O)CCC(=O)NCC 1458a_100000199579_200011218191 [0,2,0,0,0,0|1,0,1]=4 13663 B15R0.2140 CCCCCC(C)C(=O)CCC(=O)OCC 1458a_100000183558_200011218191 [0,2,0,0,0,0|0,0,1]=3 13664 B15R0.2140 CCCCCC(C)C(=O)CNC(=O)OCC 1458a_100000190774_200011218191 [0,2,0,0,0,0|1,0,1]=4 13665 B15R0.2140 CCCCCC(C)C(=O)NCC(=O)OCC 188690a_100000741813_100011215998 [0,2,0,0,0,0|1,0,1]=4 13666 B15R0.2140 CCCCCC(C)N(C)CCC(=O)OCC 2230a_100000745921_200011218191 [0,2,0,0,0,0|1,0,0]=3 13667 B15R0.2140 CCCCCC(C)N(C)CCC(=O)OCC 269982a_100000745921_200011218191 [0,2,0,0,0,0|1,0,0]=3 13668 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)OCC 11a_100000223495_100000183558 [0,2,0,0,0,0|1,0,1]=4 13669 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)OCC 1626a_100000223495_100000183558 [0,2,0,0,0,0|1,0,1]=4 13670 B15R0.2140 CCCCCN(C)C(=O)CCC(=O)OCC 240690a_100000223495_100000183558 [0,2,0,0,0,0|1,0,1]=4 13671 B15R0.2140 CCCCCN(C)C(C)CCC(=O)OCC 2230a_100000223495_100000748298 [0,2,0,0,0,0|1,0,0]=3 13672 B15R0.2140 CCCCCN(C)C(C)CCC(=O)OCC 269982a_100000223495_100000748298 [0,2,0,0,0,0|1,0,0]=3 13673 B15R0.2140 CCCOCC(=O)C(C)CCC(=O)OCC 1458a_100000745993_100000748298 [0,2,0,0,0,0|1,0,1]=4 13674 B15R0.2140 CCCSCC(=O)C(C)CCC(=O)OCC 1458a_100000217233_100000748298 [0,2,0,0,0,0|1,0,1]=4 13675 B15R0.2140 CCOC(=O)CCC(C)C(=O)CCCCO 1458a_100000695505_100000748298 [0,2,0,0,0,0|1,0,1]=4 13676 B15R0.2140 CCOC(=O)CCC(C)C(=O)CCCOC 1458a_100000741012_100000748298 [0,2,0,0,0,0|1,0,1]=4 13677 B15R0.2140 CCOC(=O)CCC(C)C(=O)CCCSC 1458a_100000173376_100000748298 [0,2,0,0,0,0|1,0,1]=4 13678 B15R0.2140 CCOC(=O)CCC(C)C(=O)CCSCC 1458a_100000230768_100000748298 [0,2,0,0,0,0|1,0,1]=4 13679 B15R0.2140 CCOC(=O)CCC(C)N(C)CCCCO 2230a_100000717598_100000748298 [0,2,0,0,0,0|2,0,0]=4 13680 B15R0.2140 CCOC(=O)CCC(C)N(C)CCCCO 269982a_100000717598_100000748298 [0,2,0,0,0,0|2,0,0]=4 13681 B15R0.2140 CCOC(=O)CCC(C)N(C)CCCOC 2230a_100000224831_100000748298 [0,2,0,0,0,0|2,0,0]=4 13682 B15R0.2140 CCOC(=O)CCC(C)N(C)CCCOC 269982a_100000224831_100000748298 [0,2,0,0,0,0|2,0,0]=4 13683 B15R0.2140 CCOCCC(=O)C(C)CCC(=O)OCC 1458a_100000749530_100000748298 [0,2,0,0,0,0|1,0,1]=4 13684 B15R0.2167 C#CC(CCCCCBr)OCC(=O)OCC 34a_200010408556_100000188475 [0,2,0,0,0,0|2,0,0]=4 13685 B15R0.2167 C#CC(CCCCCBr)OCC(=O)OCC 7a_200010408556_100000188475 [0,2,0,0,0,0|2,0,0]=4 13686 B15R0.2167 C=CC(CCCCCC)OCC(=O)CCC 7a_200011215977_100000747444 [0,2,0,0,0,0|2,0,0]=4 13687 B15R0.2167 C=CC(CCCCCC)OCC(=O)NCC 34a_200011215977_100000183381 [0,2,0,0,0,0|2,0,0]=4 13688 B15R0.2167 C=CC(CCCCCC)OCC(=O)NCC 7a_200011215977_100000183381 [0,2,0,0,0,0|2,0,0]=4 13689 B15R0.2167 C=CC(CCCCCC)OCC(=O)OCC 34a_200011215977_100000188475 [0,2,0,0,0,0|1,0,0]=3 13690 B15R0.2167 C=CC(CCCCCC)OCC(=O)OCC 7a_200011215977_100000188475 [0,2,0,0,0,0|1,0,0]=3 13691 B15R0.2167 CCCCCCC(CC)NCC(=O)NCC 270004a_100016988866_100011219640 [0,2,0,0,0,0|2,0,0]=4 13692 B15R0.2167 CCCCCCC(CC)OCC(=O)CCC 7a_100011215785_100000747444 [0,2,0,0,0,0|2,0,0]=4 13693 B15R0.2167 CCCCCCC(CC)OCC(=O)NCC 34a_100011215785_100000183381 [0,2,0,0,0,0|2,0,0]=4 13694 B15R0.2167 CCCCCCC(CC)OCC(=O)NCC 7a_100011215785_100000183381 [0,2,0,0,0,0|2,0,0]=4 13695 B15R0.2167 CCCCCCC(CC)OCC(=O)OCC 34a_100011215785_100000188475 [0,2,0,0,0,0|1,0,0]=3 13696 B15R0.2167 CCCCCCC(CC)OCC(=O)OCC 7a_100011215785_100000188475 [0,2,0,0,0,0|1,0,0]=3 13697 B15R0.2167 CCCCCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210314 [0,2,0,0,0,0|1,0,0]=3 13698 B15R0.2167 CCCCCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210757 [0,2,0,0,0,0|1,0,0]=3 13699 B15R0.2167 CCCCOCN(CC)CCC(=O)OCC 2230a_200011277716_100011995733 [0,2,0,0,0,0|2,0,0]=4 13700 B15R0.2167 CCCCOCN(CC)CCC(=O)OCC 269982a_200011277716_100011995733 [0,2,0,0,0,0|2,0,0]=4 13701 B15R0.2167 CCCOCCN(CC)CCC(=O)OCC 2230a_200011277716_100011215938 [0,2,0,0,0,0|2,0,0]=4 13702 B15R0.2167 CCCOCCN(CC)CCC(=O)OCC 269982a_200011277716_100011215938 [0,2,0,0,0,0|2,0,0]=4 13703 B15R0.2167 CCOC(=O)CCN(CC)CCCCCF 2230a_200011277716_100000729378 [0,2,0,0,0,0|2,0,0]=4 13704 B15R0.2167 CCOC(=O)CCN(CC)CCCCCF 269982a_200011277716_100000729378 [0,2,0,0,0,0|2,0,0]=4 13705 B15R0.2167 CCOC(=O)CCN(CC)CCCCCO 2230a_200011277716_100000746330 [0,2,0,0,0,0|2,0,0]=4 13706 B15R0.2167 CCOC(=O)CCN(CC)CCCCCO 269982a_200011277716_100000746330 [0,2,0,0,0,0|2,0,0]=4 13707 B15R0.2167 CCOC(=O)CCN(CC)CCCCOC 2230a_200011277716_100000730899 [0,2,0,0,0,0|2,0,0]=4 13708 B15R0.2167 CCOC(=O)CCN(CC)CCCCOC 269982a_200011277716_100000730899 [0,2,0,0,0,0|2,0,0]=4 13709 B15R0.2167 CCOCCCN(CC)CCC(=O)OCC 2230a_200011277716_100012232248 [0,2,0,0,0,0|2,0,0]=4 13710 B15R0.2167 CCOCCCN(CC)CCC(=O)OCC 269982a_200011277716_100012232248 [0,2,0,0,0,0|2,0,0]=4 13711 B15R0.4652 CCNC(=O)CCC(=O)CCCCC(C)C 1458a_100000199579_100011216152 [0,2,0,0,0,0|1,0,1]=4 13712 B15R0.4652 CCOC(=O)CCC(=O)CCCCC(=O)C 1458a_100000183558_100000735457 [0,2,0,0,0,0|0,0,2]=4 13713 B15R0.4652 CCOC(=O)CCC(=O)CCCCC(C)C 1458a_100000183558_100011216152 [0,2,0,0,0,0|0,0,1]=3 13714 B15R0.4652 CCOC(=O)CCC(=O)NCCCC(C)C 11a_200000737386_100000183558 [0,2,0,0,0,0|1,0,1]=4 13715 B15R0.4652 CCOC(=O)CCC(=O)NCCCC(C)C 1626a_200000737386_100000183558 [0,2,0,0,0,0|1,0,1]=4 13716 B15R0.4652 CCOC(=O)CCC(=O)NCCCC(C)C 240690a_200000737386_100000183558 [0,2,0,0,0,0|1,0,1]=4 13717 B15R0.4652 CCOC(=O)CCC(C)NCCCC(C)C 2230a_200000737386_100000748298 [0,2,0,0,0,0|1,0,0]=3 13718 B15R0.4652 CCOC(=O)CCC(C)NCCCC(C)C 34a_200000737386_100000748298 [0,2,0,0,0,0|1,0,0]=3 13719 B15R0.4652 CCOC(=O)CCC(C)NCCCS(=O)C 2230a_200000753449_100000748298 [0,2,0,0,0,0|2,0,0]=4 13720 B15R0.4652 CCOC(=O)CCC(C)NCCOC(C)C 2230a_100000701111_100000748298 [0,2,0,0,0,0|2,0,0]=4 13721 B15R0.4652 CCOC(=O)CCC(C)NCCOC(C)C 34a_100000701111_100000748298 [0,2,0,0,0,0|2,0,0]=4 13722 B15R0.4652 CCOC(=O)CCC(C)NCCSC(C)C 2230a_100000731138_100000748298 [0,2,0,0,0,0|2,0,0]=4 13723 B15R0.4652 CCOC(=O)CCC(C)NCCSC(C)C 34a_100000731138_100000748298 [0,2,0,0,0,0|2,0,0]=4 13724 B15R0.4652 CCOC(=O)CCC(C)OCCCC(=O)C 34a_100000759063_100000748298 [0,2,0,0,0,0|1,0,1]=4 13725 B15R0.4652 CCOC(=O)CCC(C)OCCCC(=O)C 7a_100000759063_100000748298 [0,2,0,0,0,0|1,0,1]=4 13726 B15R0.4652 CCOC(=O)CCC(C)OCCCC(C)C 34a_100000210774_100000748298 [0,2,0,0,0,0|1,0,0]=3 13727 B15R0.4652 CCOC(=O)CCC(C)OCCCC(C)C 7a_100000210774_100000748298 [0,2,0,0,0,0|1,0,0]=3 13728 B15R0.4652 CCOC(=O)CCC(C)OCCNC(C)C 34a_100000224655_100000748298 [0,2,0,0,0,0|2,0,0]=4 13729 B15R0.4652 CCOC(=O)CCC(C)OCCOC(C)C 34a_100000211219_100000748298 [0,2,0,0,0,0|2,0,0]=4 13730 B15R0.4652 CCOC(=O)CCC(C)OCCOC(C)C 7a_100000211219_100000748298 [0,2,0,0,0,0|2,0,0]=4 13731 B15R0.4652 CCOC(=O)CCC(C)OCCSC(C)C 34a_200011212901_100000748298 [0,2,0,0,0,0|2,0,0]=4 13732 B15R0.4652 CCOC(=O)CCC(C)OCCSC(C)C 7a_200011212901_100000748298 [0,2,0,0,0,0|2,0,0]=4 13733 B15R0.4652 CCOC(=O)CCC(C)SCCCC(=O)C 62a_100000748298_100011215641 [0,2,0,0,0,0|1,0,1]=4 13734 B15R0.4652 CCOC(=O)CCC(C)SCCCC(=O)C 62a_100011215641_100000748298 [0,2,0,0,0,0|1,0,1]=4 13735 B15R0.4652 CCOC(=O)CCC(C)SCCCC(C)C 62a_100000748298_100011214892 [0,2,0,0,0,0|1,0,0]=3 13736 B15R0.4652 CCOC(=O)CCC(C)SCCCC(C)C 62a_100011214892_100000748298 [0,2,0,0,0,0|1,0,0]=3 13737 B15R0.4652 CCOC(=O)CCC(C)SCCCC(C)O 62a_100000748298_200000718107 [0,2,0,0,0,0|1,0,0]=3 13738 B15R0.4652 CCOC(=O)CCC(C)SCCCC(C)O 62a_200000718107_100000748298 [0,2,0,0,0,0|1,0,0]=3 13739 B15R0.4652 CCOC(=O)CCC(C)SCCCN(C)C 62a_100000748298_100000757444 [0,2,0,0,0,0|2,0,0]=4 13740 B15R0.4652 CCOC(=O)CCC(C)SCCOC(C)C 62a_100000211751_100000748298 [0,2,0,0,0,0|2,0,0]=4 13741 B15R0.4652 CCOC(=O)CCC(C)SCCOC(C)C 62a_100000748298_100000211751 [0,2,0,0,0,0|2,0,0]=4 13742 B15R0.4652 CCOC(=O)CCC(C)SCCSC(C)C 62a_100000730970_100000748298 [0,2,0,0,0,0|2,0,0]=4 13743 B15R0.4652 CCOC(=O)CCC(C)SCCSC(C)C 62a_100000748298_100000730970 [0,2,0,0,0,0|2,0,0]=4 13744 B15R0.4652 CCOC(=O)CCN(C)CCCCC(=O)C 269982a_100000745921_100000735457 [0,2,0,0,0,0|1,0,1]=4 13745 B15R0.4652 CCOC(=O)CCN(C)CCCCC(C)C 2230a_100000745921_100011216152 [0,2,0,0,0,0|1,0,0]=3 13746 B15R0.4652 CCOC(=O)CCN(C)CCCCC(C)C 269982a_100000745921_100011216152 [0,2,0,0,0,0|1,0,0]=3 13747 B15R0.4652 CCOC(=O)CCN(C)CCCCN(C)C 269982a_100000745921_100000690147 [0,2,0,0,0,0|2,0,0]=4 13748 B15R0.4652 CCOC(=O)CNC(=O)CCCCC(C)C 188690a_100000741813_100011933920 [0,2,0,0,0,0|1,0,1]=4 13749 B15R0.4652 CCOC(=O)NCC(=O)CCCCC(C)C 1458a_100000190774_100011216152 [0,2,0,0,0,0|1,0,1]=4 13750 B15R0.69 C#CCCCCCCCCC(=O)CC(C)C 1458a_100000029693_100000210624 [0,2,0,0,0,0|1,0,1]=4 13751 B15R0.69 C#CCCCCCCCCC(=O)CC(C)O 1458a_100000029693_100011218427 [0,2,0,0,0,0|1,0,1]=4 13752 B15R0.69 C#CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000029693 [0,2,0,0,0,0|1,0,1]=4 13753 B15R0.69 C#CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000029693 [0,2,0,0,0,0|1,0,1]=4 13754 B15R0.69 C#CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000029693 [0,2,0,0,0,0|1,0,1]=4 13755 B15R0.69 C#CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000029693 [0,2,0,0,0,0|1,0,1]=4 13756 B15R0.69 C#CCCCCCCOCC(=O)OC(C)C 34a_100011217361_100011215430 [0,2,0,0,0,0|0,0,2]=4 13757 B15R0.69 C#CCCCCCCOCC(=O)OC(C)C 7a_100011217361_100011215430 [0,2,0,0,0,0|0,0,2]=4 13758 B15R0.69 C#CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100012276617 [0,2,0,0,0,0|0,0,2]=4 13759 B15R0.69 C#CCCCCCCSCC(=O)OC(C)C 62a_100012276617_100011215430 [0,2,0,0,0,0|0,0,2]=4 13760 B15R0.69 C#CCCCCCOCCC(=O)OC(C)C 7a_100000766912_100000760027 [0,2,0,0,0,0|0,0,2]=4 13761 B15R0.69 C#CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100012094781 [0,2,0,0,0,0|0,0,2]=4 13762 B15R0.69 C#CCCCCCSCCC(=O)OC(C)C 62a_100012094781_100000760027 [0,2,0,0,0,0|0,0,2]=4 13763 B15R0.69 C#CCCNCCCCCC(=O)OC(C)C 34a_100000755551_200010986244 [0,2,0,0,0,0|0,0,2]=4 13764 B15R0.69 C#CCCOCCCCCC(=O)OC(C)C 34a_100011215631_200010986244 [0,2,0,0,0,0|0,0,2]=4 13765 B15R0.69 C#CCCSCCCCCC(=O)OC(C)C 62a_100000688953_200010986244 [0,2,0,0,0,0|0,0,2]=4 13766 B15R0.69 C#CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000688953 [0,2,0,0,0,0|0,0,2]=4 13767 B15R0.69 C/C=C/COCCCCCC(=O)OC(C)C 34a_100016270725_200010986244 [0,2,0,0,0,0|0,0,2]=4 13768 B15R0.69 C/C=C/CSCCCCCC(=O)OC(C)C 62a_100102629194_200010986244 [0,2,0,0,0,0|0,0,2]=4 13769 B15R0.69 C/C=C/CSCCCCCC(=O)OC(C)C 62a_200010986244_100102629194 [0,2,0,0,0,0|0,0,2]=4 13770 B15R0.69 C=C(C)CC(=O)CCCCCCCCCC 1458a_100000210375_100000748629 [0,2,0,0,0,0|1,0,1]=4 13771 B15R0.69 C=C(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000748629 [0,2,0,0,0,0|1,0,1]=4 13772 B15R0.69 C=C(C)CC(=O)COCCCCCCCC 1458a_100000759886_100000748629 [0,2,0,0,0,0|1,0,1]=4 13773 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011933949 [0,2,0,0,0,0|1,0,1]=4 13774 B15R0.69 C=CCCCCCCCCC(=O)CC(C)C 1458a_100000211349_100000210624 [0,2,0,0,0,0|1,0,1]=4 13775 B15R0.69 C=CCCCCCCCCC(=O)CC(C)O 1458a_100000211349_100011218427 [0,2,0,0,0,0|1,0,1]=4 13776 B15R0.69 C=CCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011933949 [0,2,0,0,0,0|1,0,1]=4 13777 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000211349 [0,2,0,0,0,0|1,0,1]=4 13778 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000211349 [0,2,0,0,0,0|1,0,1]=4 13779 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000211349 [0,2,0,0,0,0|1,0,1]=4 13780 B15R0.69 C=CCCCCCCCCC(=O)NC(C)C 527a_100138425928_100000211349 [0,2,0,0,0,0|1,0,1]=4 13781 B15R0.69 C=CCCCCCCOCC(=O)OC(C)C 34a_200011216477_100011215430 [0,2,0,0,0,0|0,0,2]=4 13782 B15R0.69 C=CCCCCCCOCC(=O)OC(C)C 7a_200011216477_100011215430 [0,2,0,0,0,0|0,0,2]=4 13783 B15R0.69 C=CCCCCCCSCC(=O)OC(C)C 62a_100011215430_100011215473 [0,2,0,0,0,0|0,0,2]=4 13784 B15R0.69 C=CCCCCCCSCC(=O)OC(C)C 62a_100011215473_100011215430 [0,2,0,0,0,0|0,0,2]=4 13785 B15R0.69 C=CCCCCCOCCC(=O)OC(C)C 7a_100011216702_100000760027 [0,2,0,0,0,0|0,0,2]=4 13786 B15R0.69 C=CCCCCCSCCC(=O)OC(C)C 62a_100000700193_100000760027 [0,2,0,0,0,0|0,0,2]=4 13787 B15R0.69 C=CCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000700193 [0,2,0,0,0,0|0,0,2]=4 13788 B15R0.69 C=CCCNCCCCCC(=O)OC(C)C 2230a_100015191253_200010986244 [0,2,0,0,0,0|0,0,2]=4 13789 B15R0.69 C=CCCOCCCCCC(=O)OC(C)C 34a_100011205117_200010986244 [0,2,0,0,0,0|0,0,2]=4 13790 B15R0.69 C=CCCSCCCCCC(=O)OC(C)C 62a_100000754431_200010986244 [0,2,0,0,0,0|0,0,2]=4 13791 B15R0.69 C=CCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000754431 [0,2,0,0,0,0|0,0,2]=4 13792 B15R0.69 CC#CCCCCCCCC(=O)CC(C)C 1458a_100000066323_100000210624 [0,2,0,0,0,0|1,0,1]=4 13793 B15R0.69 CC#CCCCCCCCC(=O)CC(C)O 1458a_100000066323_100011218427 [0,2,0,0,0,0|1,0,1]=4 13794 B15R0.69 CC#CCCCCCCCC(=O)NC(C)C 11a_100138425928_100000066323 [0,2,0,0,0,0|1,0,1]=4 13795 B15R0.69 CC#CCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000066323 [0,2,0,0,0,0|1,0,1]=4 13796 B15R0.69 CC#CCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000066323 [0,2,0,0,0,0|1,0,1]=4 13797 B15R0.69 CC#CCCCCCCCC(=O)NC(C)C 527a_100138425928_100000066323 [0,2,0,0,0,0|1,0,1]=4 13798 B15R0.69 CC#CCNCCCCCC(=O)OC(C)C 2230a_100000685387_200010986244 [0,2,0,0,0,0|0,0,2]=4 13799 B15R0.69 CC#CCNCCCCCC(=O)OC(C)C 34a_100000685387_200010986244 [0,2,0,0,0,0|0,0,2]=4 13800 B15R0.69 CC#CCOCCCCCC(=O)OC(C)C 34a_100000761923_200010986244 [0,2,0,0,0,0|0,0,2]=4 13801 B15R0.69 CC#CCSCCCCCC(=O)OC(C)C 62a_100000748600_200010986244 [0,2,0,0,0,0|0,0,2]=4 13802 B15R0.69 CC#CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000748600 [0,2,0,0,0,0|0,0,2]=4 13803 B15R0.69 CC(=CC(=O)CCCCCCCCCO)C 1458a_100000211388_100009813782 [0,2,0,0,0,0|1,0,1]=4 13804 B15R0.69 CC(=CC(=O)CCCCCCCCCO)Cl 1458a_200042562850_100009813782 [0,2,0,0,0,0|1,0,1]=4 13805 B15R0.69 CC(=CC(=O)CCCCCCCCCO)I 1458a_100025716642_100009813782 [0,2,0,0,0,0|1,0,1]=4 13806 B15R0.69 CC(C)CC(=O)CCCCCCCCCF 1458a_200009909015_100000210624 [0,2,0,0,0,0|1,0,0]=3 13807 B15R0.69 CC(C)CC(=O)CCCCCCCCCO 1458a_100000210554_100009813782 [0,2,0,0,0,0|1,0,0]=3 13808 B15R0.69 CC(C)CC(=O)NCCCCCCCCO 240690a_102515433106_100000210554 [0,2,0,0,0,0|2,0,0]=4 13809 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 11a_100138425928_200009909015 [0,2,0,0,0,0|1,0,0]=3 13810 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 240690a_100138425928_200009909015 [0,2,0,0,0,0|1,0,0]=3 13811 B15R0.69 CC(C)NC(=O)CCCCCCCCCF 527a_100138425928_200009909015 [0,2,0,0,0,0|1,0,0]=3 13812 B15R0.69 CC(C)NC(=O)CCCCCCCCCO 240690a_100138425928_100000032657 [0,2,0,0,0,0|1,0,0]=3 13813 B15R0.69 CC(C)NC(=O)CCNCCCCCCO 2230a_100000686447_100000737564 [0,2,0,0,0,0|2,0,0]=4 13814 B15R0.69 CC(C)NC(=O)CCOCCCCCCBr 7a_100011215345_100000737564 [0,2,0,0,0,0|2,0,0]=4 13815 B15R0.69 CC(C)NC(=O)CCOCCCCCCCl 7a_100000766143_100000737564 [0,2,0,0,0,0|2,0,0]=4 13816 B15R0.69 CC(C)NC(=O)CCOCCCCCCF 7a_100000732779_100000737564 [0,2,0,0,0,0|2,0,0]=4 13817 B15R0.69 CC(C)NC(=O)CCSCCCCCCF 62a_100000737564_100015922095 [0,2,0,0,0,0|2,0,0]=4 13818 B15R0.69 CC(C)NC(=O)CCSCCCCCCF 62a_100015922095_100000737564 [0,2,0,0,0,0|2,0,0]=4 13819 B15R0.69 CC(C)NC(=O)CCSCCCCCCO 62a_100000737564_100000766143 [0,2,0,0,0,0|2,0,0]=4 13820 B15R0.69 CC(C)NC(=O)CCSCCCCCCO 62a_100000766143_100000737564 [0,2,0,0,0,0|2,0,0]=4 13821 B15R0.69 CC(C)NC(=O)CNCCCCCCCO 2230a_100000168517_100000760002 [0,2,0,0,0,0|2,0,0]=4 13822 B15R0.69 CC(C)NC(=O)CNCCCCCCCO 2230a_100011996573_100000183996 [0,2,0,0,0,0|2,0,0]=4 13823 B15R0.69 CC(C)NC(=O)CNCCCCCCCO 34a_100011996573_100000183996 [0,2,0,0,0,0|2,0,0]=4 13824 B15R0.69 CC(C)NC(=O)COCCCCCCCBr 34a_100000760002_100000183996 [0,2,0,0,0,0|2,0,0]=4 13825 B15R0.69 CC(C)NC(=O)COCCCCCCCBr 7a_100000760002_100000183996 [0,2,0,0,0,0|2,0,0]=4 13826 B15R0.69 CC(C)NC(=O)COCCCCCCCN 34a_100011996573_100000183996 [0,2,0,0,0,0|2,0,0]=4 13827 B15R0.69 CC(C)NC(=O)CSCCCCCCCO 62a_100000183996_100000760002 [0,2,0,0,0,0|2,0,0]=4 13828 B15R0.69 CC(C)NC(=O)CSCCCCCCCO 62a_100000760002_100000183996 [0,2,0,0,0,0|2,0,0]=4 13829 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 2708a_100138425928_102515433106 [0,2,0,0,0,0|2,0,0]=4 13830 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 2708a_102515433106_100138425928 [0,2,0,0,0,0|2,0,0]=4 13831 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 273464a_100138425928_102515433106 [0,2,0,0,0,0|2,0,0]=4 13832 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 512a_100138425928_102515433106 [0,2,0,0,0,0|2,0,0]=4 13833 B15R0.69 CC(C)NC(=O)NCCCCCCCCO 512a_102515433106_100138425928 [0,2,0,0,0,0|2,0,0]=4 13834 B15R0.69 CC(C)OC(=O)CCCCCNCCCF 2230a_100015189416_200010986244 [0,2,0,0,0,0|1,0,0]=3 13835 B15R0.69 CC(C)OC(=O)CCCCCNCCCF 34a_100015189416_200010986244 [0,2,0,0,0,0|1,0,0]=3 13836 B15R0.69 CC(C)OC(=O)CCCCCOCCCBr 34a_100011217188_200010986244 [0,2,0,0,0,0|1,0,0]=3 13837 B15R0.69 CC(C)OC(=O)CCCCCOCCCCl 34a_100000230001_200010986244 [0,2,0,0,0,0|1,0,0]=3 13838 B15R0.69 CC(C)OC(=O)CCCCCOCCCF 34a_100000759539_200010986244 [0,2,0,0,0,0|1,0,0]=3 13839 B15R0.69 CC(C)OC(=O)CCCCCOCCCN 34a_100000182051_200010986244 [0,2,0,0,0,0|1,0,0]=3 13840 B15R0.69 CC(C)OC(=O)CCCCCOCCON 34a_100000700252_200010986244 [0,2,0,0,0,0|2,0,0]=4 13841 B15R0.69 CC(C)OC(=O)CCCCCSCCC#N 62a_100011215226_200010986244 [0,2,0,0,0,0|1,0,1]=4 13842 B15R0.69 CC(C)OC(=O)CCCCCSCCC#N 62a_200010986244_100011215226 [0,2,0,0,0,0|1,0,1]=4 13843 B15R0.69 CC(C)OC(=O)CCCCCSCCCF 62a_100011934791_200010986244 [0,2,0,0,0,0|1,0,0]=3 13844 B15R0.69 CC(C)OC(=O)CCCCCSCCCF 62a_200010986244_100011934791 [0,2,0,0,0,0|1,0,0]=3 13845 B15R0.69 CC(C)OC(=O)CCCCCSCCCO 62a_100011215043_200010986244 [0,2,0,0,0,0|1,0,0]=3 13846 B15R0.69 CC(C)OC(=O)CCCCCSCCCO 62a_200010986244_100011215043 [0,2,0,0,0,0|1,0,0]=3 13847 B15R0.69 CC(C)OC(=O)CCNCCCCCCO 2230a_100000686447_100000760027 [0,2,0,0,0,0|1,0,0]=3 13848 B15R0.69 CC(C)OC(=O)CCOCCCCCCBr 7a_100011215345_100000760027 [0,2,0,0,0,0|1,0,0]=3 13849 B15R0.69 CC(C)OC(=O)CCOCCCCCCCl 7a_100000766143_100000760027 [0,2,0,0,0,0|1,0,0]=3 13850 B15R0.69 CC(C)OC(=O)CCOCCCCCCF 7a_100000732779_100000760027 [0,2,0,0,0,0|1,0,0]=3 13851 B15R0.69 CC(C)OC(=O)CCSCCCCCC#N 62a_100000760027_100009813376 [0,2,0,0,0,0|1,0,1]=4 13852 B15R0.69 CC(C)OC(=O)CCSCCCCCC#N 62a_100009813376_100000760027 [0,2,0,0,0,0|1,0,1]=4 13853 B15R0.69 CC(C)OC(=O)CCSCCCCCC=O 62a_100000139337_100000760027 [0,2,0,0,0,0|1,0,1]=4 13854 B15R0.69 CC(C)OC(=O)CCSCCCCCC=O 62a_100000760027_100000139337 [0,2,0,0,0,0|1,0,1]=4 13855 B15R0.69 CC(C)OC(=O)CCSCCCCCCF 62a_100000760027_100015922095 [0,2,0,0,0,0|1,0,0]=3 13856 B15R0.69 CC(C)OC(=O)CCSCCCCCCF 62a_100015922095_100000760027 [0,2,0,0,0,0|1,0,0]=3 13857 B15R0.69 CC(C)OC(=O)CCSCCCCCCO 62a_100000760027_100000766143 [0,2,0,0,0,0|1,0,0]=3 13858 B15R0.69 CC(C)OC(=O)CCSCCCCCCO 62a_100000766143_100000760027 [0,2,0,0,0,0|1,0,0]=3 13859 B15R0.69 CC(C)OC(=O)CNCCCCCCCO 2230a_100011996573_100011215430 [0,2,0,0,0,0|1,0,0]=3 13860 B15R0.69 CC(C)OC(=O)CNCCCCCCCO 34a_100011996573_100011215430 [0,2,0,0,0,0|1,0,0]=3 13861 B15R0.69 CC(C)OC(=O)CNCCCOCCCO 2230a_100011310245_100011215430 [0,2,0,0,0,0|2,0,0]=4 13862 B15R0.69 CC(C)OC(=O)CNCCCOCCCO 34a_100011310245_100011215430 [0,2,0,0,0,0|2,0,0]=4 13863 B15R0.69 CC(C)OC(=O)COCCCCCCCBr 34a_100000760002_100011215430 [0,2,0,0,0,0|1,0,0]=3 13864 B15R0.69 CC(C)OC(=O)COCCCCCCCBr 7a_100000760002_100011215430 [0,2,0,0,0,0|1,0,0]=3 13865 B15R0.69 CC(C)OC(=O)COCCCCCCCN 34a_100011996573_100011215430 [0,2,0,0,0,0|1,0,0]=3 13866 B15R0.69 CC(C)OC(=O)COCCCOCCCN 34a_100011310245_100011215430 [0,2,0,0,0,0|2,0,0]=4 13867 B15R0.69 CC(C)OC(=O)CSCCCCCCC#N 62a_100009813337_100011215430 [0,2,0,0,0,0|1,0,1]=4 13868 B15R0.69 CC(C)OC(=O)CSCCCCCCC#N 62a_100011215430_100009813337 [0,2,0,0,0,0|1,0,1]=4 13869 B15R0.69 CC(C)OC(=O)CSCCCCCCCO 62a_100000760002_100011215430 [0,2,0,0,0,0|1,0,0]=3 13870 B15R0.69 CC(C)OC(=O)CSCCCCCCCO 62a_100011215430_100000760002 [0,2,0,0,0,0|1,0,0]=3 13871 B15R0.69 CC(C)OC(=O)OCSCCCCCCF 62a_100000003507_100015922095 [0,2,0,0,0,0|2,0,0]=4 13872 B15R0.69 CC(C)OC(=O)OCSCCCCCCF 62a_100015922095_100000003507 [0,2,0,0,0,0|2,0,0]=4 13873 B15R0.69 CC(C)OC(=O)OCSCCCCCCO 62a_100000003507_100000766143 [0,2,0,0,0,0|2,0,0]=4 13874 B15R0.69 CC(C)OC(=O)OCSCCCCCCO 62a_100000766143_100000003507 [0,2,0,0,0,0|2,0,0]=4 13875 B15R0.69 CC(O)CC(=O)CCCCCCCCCF 1458a_200009909015_100011218427 [0,2,0,0,0,0|1,0,0]=3 13876 B15R0.69 CC/C=C/CCCOCCC(=O)OC(C)C 7a_100016287902_100000760027 [0,2,0,0,0,0|0,0,2]=4 13877 B15R0.69 CC/C=C\CCCCOCC(=O)OC(C)C 34a_100016287862_100011215430 [0,2,0,0,0,0|0,0,2]=4 13878 B15R0.69 CC/C=C\CCCCOCC(=O)OC(C)C 7a_100016287862_100011215430 [0,2,0,0,0,0|0,0,2]=4 13879 B15R0.69 CC=CCSCCCCCC(=O)OC(C)C 62a_100000070051_200010986244 [0,2,0,0,0,0|0,0,2]=4 13880 B15R0.69 CC=CCSCCCCCC(=O)OC(C)C 62a_200010986244_100000070051 [0,2,0,0,0,0|0,0,2]=4 13881 B15R0.69 CCC#CCCCCCCC(=O)CC(C)C 1458a_100000210554_200000036426 [0,2,0,0,0,0|1,0,1]=4 13882 B15R0.69 CCC#CCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_200000036426 [0,2,0,0,0,0|1,0,1]=4 13883 B15R0.69 CCCC#CCCOCCC(=O)OC(C)C 7a_100000042726_100000760027 [0,2,0,0,0,0|0,0,2]=4 13884 B15R0.69 CCCC/C=C/COCCC(=O)OC(C)C 7a_200016272032_100000760027 [0,2,0,0,0,0|0,0,2]=4 13885 B15R0.69 CCCC/C=C\CCOCC(=O)OC(C)C 34a_200016286491_100011215430 [0,2,0,0,0,0|0,0,2]=4 13886 B15R0.69 CCCC/C=C\CCOCC(=O)OC(C)C 7a_200016286491_100011215430 [0,2,0,0,0,0|0,0,2]=4 13887 B15R0.69 CCCCC#CCCOCC(=O)OC(C)C 34a_100000037610_100011215430 [0,2,0,0,0,0|0,0,2]=4 13888 B15R0.69 CCCCC#CCCOCC(=O)OC(C)C 7a_100000037610_100011215430 [0,2,0,0,0,0|0,0,2]=4 13889 B15R0.69 CCCCC#CCOCCC(=O)OC(C)C 7a_200000034558_100000760027 [0,2,0,0,0,0|0,0,2]=4 13890 B15R0.69 CCCCC/C=C/COCC(=O)OC(C)C 34a_100016258190_100011215430 [0,2,0,0,0,0|0,0,2]=4 13891 B15R0.69 CCCCC/C=C/COCC(=O)OC(C)C 7a_100016258190_100011215430 [0,2,0,0,0,0|0,0,2]=4 13892 B15R0.69 CCCCCC#CCOCC(=O)OC(C)C 34a_200000033628_100011215430 [0,2,0,0,0,0|0,0,2]=4 13893 B15R0.69 CCCCCC#CCOCC(=O)OC(C)C 7a_200000033628_100011215430 [0,2,0,0,0,0|0,0,2]=4 13894 B15R0.69 CCCCCC#CCSCC(=O)OC(C)C 62a_100009816472_100011215430 [0,2,0,0,0,0|0,0,2]=4 13895 B15R0.69 CCCCCC#CCSCC(=O)OC(C)C 62a_100011215430_100009816472 [0,2,0,0,0,0|0,0,2]=4 13896 B15R0.69 CCCCCCCCC=CC(=O)CC(C)C 1458a_100015345288_100000210624 [0,2,0,0,0,0|1,0,1]=4 13897 B15R0.69 CCCCCCCCC=CC(=O)CC(C)O 1458a_100015345288_100011218427 [0,2,0,0,0,0|1,0,1]=4 13898 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 11a_100138425928_100015345288 [0,2,0,0,0,0|1,0,1]=4 13899 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 1626a_100138425928_100015345288 [0,2,0,0,0,0|1,0,1]=4 13900 B15R0.69 CCCCCCCCC=CC(=O)NC(C)C 240690a_100138425928_100015345288 [0,2,0,0,0,0|1,0,1]=4 13901 B15R0.69 CCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210319 [0,2,0,0,0,0|1,0,1]=4 13902 B15R0.69 CCCCCCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210319 [0,2,0,0,0,0|1,0,1]=4 13903 B15R0.69 CCCCCCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210319 [0,2,0,0,0,0|1,0,1]=4 13904 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210375_100000210624 [0,2,0,0,0,0|1,0,0]=3 13905 B15R0.69 CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100000210319 [0,2,0,0,0,0|1,0,0]=3 13906 B15R0.69 CCCCCCCCCCC(=O)CC(C)O 1458a_100000210375_100011218427 [0,2,0,0,0,0|1,0,0]=3 13907 B15R0.69 CCCCCCCCCCC(=O)CC(F)F 1458a_100000210375_100011934356 [0,2,0,0,0,0|2,0,0]=4 13908 B15R0.69 CCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100000210319 [0,2,0,0,0,0|2,0,0]=4 13909 B15R0.69 CCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210319 [0,2,0,0,0,0|1,0,0]=3 13910 B15R0.69 CCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210319 [0,2,0,0,0,0|2,0,0]=4 13911 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210375 [0,2,0,0,0,0|1,0,0]=3 13912 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210375 [0,2,0,0,0,0|1,0,0]=3 13913 B15R0.69 CCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210375 [0,2,0,0,0,0|1,0,0]=3 13914 B15R0.69 CCCCCCCCCCC(C)OC(C)C 34a_100011215000_100000210206 [0,2,0,0,0,0|1,0,1]=4 13915 B15R0.69 CCCCCCCCCCC(C)OC(C)C 7a_100011215000_100000210206 [0,2,0,0,0,0|1,0,1]=4 13916 B15R0.69 CCCCCCCCCNC(=O)C=C(C)C 11a_100000212291_100000211388 [0,2,0,0,0,0|1,0,1]=4 13917 B15R0.69 CCCCCCCCCNC(=O)C=C(C)C 1626a_100000212291_100000211388 [0,2,0,0,0,0|1,0,1]=4 13918 B15R0.69 CCCCCCCCCNC(=O)C=C(C)C 240690a_100000212291_100000211388 [0,2,0,0,0,0|1,0,1]=4 13919 B15R0.69 CCCCCCCCCNC(=O)C=C(C)Cl 11a_100000212291_200042562850 [0,2,0,0,0,0|1,0,1]=4 13920 B15R0.69 CCCCCCCCCNC(=O)C=C(C)Cl 1626a_100000212291_200042562850 [0,2,0,0,0,0|1,0,1]=4 13921 B15R0.69 CCCCCCCCCNC(=O)C=C(C)Cl 240690a_100000212291_200042562850 [0,2,0,0,0,0|1,0,1]=4 13922 B15R0.69 CCCCCCCCCNC(=O)C=C(C)I 11a_100000212291_100025716642 [0,2,0,0,0,0|1,0,1]=4 13923 B15R0.69 CCCCCCCCCNC(=O)C=C(C)I 1626a_100000212291_100025716642 [0,2,0,0,0,0|1,0,1]=4 13924 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 11a_100000212291_100000210554 [0,2,0,0,0,0|1,0,0]=3 13925 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 1626a_100000212291_100000210554 [0,2,0,0,0,0|1,0,0]=3 13926 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 240690a_100000212291_100000210554 [0,2,0,0,0,0|1,0,0]=3 13927 B15R0.69 CCCCCCCCCNC(=O)CC(C)C 527a_100000212291_100000210554 [0,2,0,0,0,0|1,0,0]=3 13928 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 11a_100000212291_100000750896 [0,2,0,0,0,0|2,0,0]=4 13929 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 240690a_100000212291_100000750896 [0,2,0,0,0,0|2,0,0]=4 13930 B15R0.69 CCCCCCCCCNC(=O)CN(C)C 527a_100000212291_100000750896 [0,2,0,0,0,0|2,0,0]=4 13931 B15R0.69 CCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000212291_100011933948 [0,2,0,0,0,0|1,0,0]=3 13932 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 11a_100000212291_200159257847 [0,2,0,0,0,0|2,0,0]=4 13933 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 1626a_100000212291_200159257847 [0,2,0,0,0,0|2,0,0]=4 13934 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 240690a_100000212291_200159257847 [0,2,0,0,0,0|2,0,0]=4 13935 B15R0.69 CCCCCCCCCNC(=O)C[S+](C)C 527a_100000212291_200159257847 [0,2,0,0,0,0|2,0,0]=4 13936 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 2708a_100000212291_100138425928 [0,2,0,0,0,0|1,0,0]=3 13937 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000212291 [0,2,0,0,0,0|1,0,0]=3 13938 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000212291 [0,2,0,0,0,0|1,0,0]=3 13939 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 512a_100000212291_100138425928 [0,2,0,0,0,0|1,0,0]=3 13940 B15R0.69 CCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000212291 [0,2,0,0,0,0|1,0,0]=3 13941 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210759 [0,2,0,0,0,0|1,0,0]=3 13942 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 2230a_100000229939_100000183996 [0,2,0,0,0,0|1,0,0]=3 13943 B15R0.69 CCCCCCCCNCC(=O)NC(C)C 34a_100000229939_100000183996 [0,2,0,0,0,0|1,0,0]=3 13944 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 2230a_100000229939_100011215430 [0,2,0,0,0,0|0,0,0]=2 13945 B15R0.69 CCCCCCCCNCC(=O)OC(C)C 34a_100000229939_100011215430 [0,2,0,0,0,0|0,0,0]=2 13946 B15R0.69 CCCCCCCCOCC(=O)CC(C)C 1458a_100000759886_100000210624 [0,2,0,0,0,0|1,0,0]=3 13947 B15R0.69 CCCCCCCCOCC(=O)CC(C)O 1458a_100000759886_100011218427 [0,2,0,0,0,0|1,0,0]=3 13948 B15R0.69 CCCCCCCCOCC(=O)CC(F)F 1458a_100000759886_100011934356 [0,2,0,0,0,0|2,0,0]=4 13949 B15R0.69 CCCCCCCCOCC(=O)NC(=O)C 7a_100000210232_100000183797 [0,2,0,0,0,0|1,0,1]=4 13950 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 11a_100138425928_100000759886 [0,2,0,0,0,0|1,0,0]=3 13951 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 1626a_100138425928_100000759886 [0,2,0,0,0,0|1,0,0]=3 13952 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 240690a_100138425928_100000759886 [0,2,0,0,0,0|1,0,0]=3 13953 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 34a_100000210232_100000183996 [0,2,0,0,0,0|1,0,0]=3 13954 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 527a_100138425928_100000759886 [0,2,0,0,0,0|1,0,0]=3 13955 B15R0.69 CCCCCCCCOCC(=O)NC(C)C 7a_100000210232_100000183996 [0,2,0,0,0,0|1,0,0]=3 13956 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 34a_100000210232_100011215430 [0,2,0,0,0,0|0,0,0]=2 13957 B15R0.69 CCCCCCCCOCC(=O)OC(C)C 7a_100000210232_100011215430 [0,2,0,0,0,0|0,0,0]=2 13958 B15R0.69 CCCCCCCCSCC(=O)NC(=O)C 62a_100000210759_100000183797 [0,2,0,0,0,0|1,0,1]=4 13959 B15R0.69 CCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210317 [0,2,0,0,0,0|1,0,0]=3 13960 B15R0.69 CCCCCCCCSCC(=O)NC(C)C 62a_100000210759_100000183996 [0,2,0,0,0,0|1,0,0]=3 13961 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100000210759_100011215430 [0,2,0,0,0,0|0,0,0]=2 13962 B15R0.69 CCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210317 [0,2,0,0,0,0|0,0,0]=2 13963 B15R0.69 CCCCCCCNCCC(=O)NC(C)C 2230a_100000229938_100000737564 [0,2,0,0,0,0|1,0,0]=3 13964 B15R0.69 CCCCCCCNCCC(=O)OC(C)C 2230a_100000229938_100000760027 [0,2,0,0,0,0|0,0,0]=2 13965 B15R0.69 CCCCCCCOCCC(=O)NC(C)C 7a_100000210272_100000737564 [0,2,0,0,0,0|1,0,0]=3 13966 B15R0.69 CCCCCCCOCCC(=O)OC(C)C 7a_100000210272_100000760027 [0,2,0,0,0,0|0,0,0]=2 13967 B15R0.69 CCCCCCCSCCC(=O)NC(C)C 62a_100000210614_100000737564 [0,2,0,0,0,0|1,0,0]=3 13968 B15R0.69 CCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210316 [0,2,0,0,0,0|1,0,0]=3 13969 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000210614_100000760027 [0,2,0,0,0,0|0,0,0]=2 13970 B15R0.69 CCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210316 [0,2,0,0,0,0|0,0,0]=2 13971 B15R0.69 CCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210316 [0,2,0,0,0,0|1,0,0]=3 13972 B15R0.69 CCCCCCCSCOC(=O)OC(C)C 62a_100000210614_100000003507 [0,2,0,0,0,0|1,0,0]=3 13973 B15R0.69 CCCCCNCCOCC(=O)NC(C)C 34a_100000224656_100000183996 [0,2,0,0,0,0|2,0,0]=4 13974 B15R0.69 CCCCCNCCOCC(=O)OC(C)C 34a_100000224656_100011215430 [0,2,0,0,0,0|1,0,0]=3 13975 B15R0.69 CCCCCOCCOCC(=O)NC(C)C 34a_100011215259_100000183996 [0,2,0,0,0,0|2,0,0]=4 13976 B15R0.69 CCCCCOCCOCC(=O)NC(C)C 7a_100011215259_100000183996 [0,2,0,0,0,0|2,0,0]=4 13977 B15R0.69 CCCCCOCCOCC(=O)OC(C)C 34a_100011215259_100011215430 [0,2,0,0,0,0|1,0,0]=3 13978 B15R0.69 CCCCCOCCOCC(=O)OC(C)C 7a_100011215259_100011215430 [0,2,0,0,0,0|1,0,0]=3 13979 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 2230a_100000102301_200010986244 [0,2,0,0,0,0|0,0,0]=2 13980 B15R0.69 CCCCNCCCCCC(=O)OC(C)C 7a_106832991798_200010986244 [0,2,0,0,0,0|0,0,0]=2 13981 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 34a_100000210227_200010986244 [0,2,0,0,0,0|0,0,0]=2 13982 B15R0.69 CCCCOCCCCCC(=O)OC(C)C 7a_100000210227_200010986244 [0,2,0,0,0,0|0,0,0]=2 13983 B15R0.69 CCCCOCCCNCC(=O)NC(C)C 2230a_200000211371_100000183996 [0,2,0,0,0,0|2,0,0]=4 13984 B15R0.69 CCCCOCCCNCC(=O)NC(C)C 34a_200000211371_100000183996 [0,2,0,0,0,0|2,0,0]=4 13985 B15R0.69 CCCCOCCCNCC(=O)OC(C)C 2230a_200000211371_100011215430 [0,2,0,0,0,0|1,0,0]=3 13986 B15R0.69 CCCCOCCCNCC(=O)OC(C)C 34a_200000211371_100011215430 [0,2,0,0,0,0|1,0,0]=3 13987 B15R0.69 CCCCOCCCOCC(=O)NC(C)C 34a_200011215613_100000183996 [0,2,0,0,0,0|2,0,0]=4 13988 B15R0.69 CCCCOCCCOCC(=O)NC(C)C 7a_200011215613_100000183996 [0,2,0,0,0,0|2,0,0]=4 13989 B15R0.69 CCCCOCCCOCC(=O)OC(C)C 34a_200011215613_100011215430 [0,2,0,0,0,0|1,0,0]=3 13990 B15R0.69 CCCCOCCCOCC(=O)OC(C)C 7a_200011215613_100011215430 [0,2,0,0,0,0|1,0,0]=3 13991 B15R0.69 CCCCOCCOCCC(=O)NC(C)C 7a_100000210238_100000737564 [0,2,0,0,0,0|2,0,0]=4 13992 B15R0.69 CCCCOCCOCCC(=O)OC(C)C 7a_100000210238_100000760027 [0,2,0,0,0,0|1,0,0]=3 13993 B15R0.69 CCCCOCCSCCC(=O)NC(C)C 62a_100000737564_100000743108 [0,2,0,0,0,0|2,0,0]=4 13994 B15R0.69 CCCCOCCSCCC(=O)NC(C)C 62a_100000743108_100000737564 [0,2,0,0,0,0|2,0,0]=4 13995 B15R0.69 CCCCOCCSCCC(=O)OC(C)C 62a_100000743108_100000760027 [0,2,0,0,0,0|1,0,0]=3 13996 B15R0.69 CCCCOCCSCCC(=O)OC(C)C 62a_100000760027_100000743108 [0,2,0,0,0,0|1,0,0]=3 13997 B15R0.69 CCCCOCCSCOC(=O)OC(C)C 62a_100000003507_100000743108 [0,2,0,0,0,0|2,0,0]=4 13998 B15R0.69 CCCCOCCSCOC(=O)OC(C)C 62a_100000743108_100000003507 [0,2,0,0,0,0|2,0,0]=4 13999 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_100000210211_200010986244 [0,2,0,0,0,0|0,0,0]=2 14000 B15R0.69 CCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210210 [0,2,0,0,0,0|0,0,0]=2 14001 B15R0.69 CCCCSCCNCCC(=O)NC(C)C 2230a_100025743550_100000737564 [0,2,0,0,0,0|2,0,0]=4 14002 B15R0.69 CCCCSCCNCCC(=O)OC(C)C 2230a_100025743550_100000760027 [0,2,0,0,0,0|1,0,0]=3 14003 B15R0.69 CCCCSCCOCCC(=O)NC(C)C 7a_200000230436_100000737564 [0,2,0,0,0,0|2,0,0]=4 14004 B15R0.69 CCCCSCCOCCC(=O)OC(C)C 7a_200000230436_100000760027 [0,2,0,0,0,0|1,0,0]=3 14005 B15R0.69 CCCOCCCNCCC(=O)NC(C)C 2230a_100011217757_100000737564 [0,2,0,0,0,0|2,0,0]=4 14006 B15R0.69 CCCOCCCNCCC(=O)OC(C)C 2230a_100011217757_100000760027 [0,2,0,0,0,0|1,0,0]=3 14007 B15R0.69 CCOCCOCCNCC(=O)OC(C)C 2230a_100102712874_100011215430 [0,2,0,0,0,0|2,0,0]=4 14008 B15R0.69 CCOCCOCCNCC(=O)OC(C)C 34a_100102712874_100011215430 [0,2,0,0,0,0|2,0,0]=4 14009 B15R0.69 CCOCCOCCOCC(=O)OC(C)C 34a_100000210240_100011215430 [0,2,0,0,0,0|2,0,0]=4 14010 B15R0.69 CCOCCOCCOCC(=O)OC(C)C 7a_100000210240_100011215430 [0,2,0,0,0,0|2,0,0]=4 14011 B15R0.69 CCOCCOCCSCC(=O)OC(C)C 62a_100011211534_100011215430 [0,2,0,0,0,0|2,0,0]=4 14012 B15R0.69 CCOCCOCCSCC(=O)OC(C)C 62a_100011215430_100011211534 [0,2,0,0,0,0|2,0,0]=4 14013 B15R0.69 CCOCSCCCCCC(=O)OC(C)C 62a_100000739092_200010986244 [0,2,0,0,0,0|1,0,0]=3 14014 B15R0.69 CCOCSCCCCCC(=O)OC(C)C 62a_200010986244_100000739092 [0,2,0,0,0,0|1,0,0]=3 14015 B15R0.69 CN(C)CC(=O)CCCCCCCCCO 1458a_100000750896_100009813782 [0,2,0,0,0,0|2,0,0]=4 14016 B15R0.69 COCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011998445 [0,2,0,0,0,0|2,0,0]=4 14017 B15R0.69 COCCCCCCOCC(=O)NC(C)C 34a_200012092642_100000183996 [0,2,0,0,0,0|2,0,0]=4 14018 B15R0.69 COCCCCCCOCC(=O)NC(C)C 7a_200012092642_100000183996 [0,2,0,0,0,0|2,0,0]=4 14019 B15R0.69 COCCCCCCOCC(=O)OC(C)C 34a_200012092642_100011215430 [0,2,0,0,0,0|1,0,0]=3 14020 B15R0.69 COCCCCCCOCC(=O)OC(C)C 7a_200012092642_100011215430 [0,2,0,0,0,0|1,0,0]=3 14021 B15R0.69 COCCCCCCSCC(=O)NC(C)C 62a_100000183996_100011998445 [0,2,0,0,0,0|2,0,0]=4 14022 B15R0.69 COCCCCCCSCC(=O)NC(C)C 62a_100011998445_100000183996 [0,2,0,0,0,0|2,0,0]=4 14023 B15R0.69 COCCCCCCSCC(=O)OC(C)C 62a_100011215430_100011998445 [0,2,0,0,0,0|1,0,0]=3 14024 B15R0.69 COCCCCCCSCC(=O)OC(C)C 62a_100011998445_100011215430 [0,2,0,0,0,0|1,0,0]=3 14025 B15R0.69 COCCCCCNCCC(=O)NC(C)C 2230a_100000747528_100000737564 [0,2,0,0,0,0|2,0,0]=4 14026 B15R0.69 COCCCCCNCCC(=O)OC(C)C 2230a_100000747528_100000760027 [0,2,0,0,0,0|1,0,0]=3 14027 B15R0.69 COCCNCCCCCC(=O)OC(C)C 2230a_100000209980_200010986244 [0,2,0,0,0,0|1,0,0]=3 14028 B15R0.69 COCCOCCCCCC(=O)OC(C)C 34a_100000210237_200010986244 [0,2,0,0,0,0|1,0,0]=3 14029 B15R0.69 COCCOCCCNCC(=O)OC(C)C 2230a_100000206027_100011215430 [0,2,0,0,0,0|2,0,0]=4 14030 B15R0.69 COCCOCCCNCC(=O)OC(C)C 34a_100000206027_100011215430 [0,2,0,0,0,0|2,0,0]=4 14031 B15R0.69 COCCOCCCSCC(=O)OC(C)C 62a_100011215430_100011216529 [0,2,0,0,0,0|2,0,0]=4 14032 B15R0.69 COCCOCCCSCC(=O)OC(C)C 62a_100011216529_100011215430 [0,2,0,0,0,0|2,0,0]=4 14033 B15R0.69 COCCOCCNCCC(=O)OC(C)C 2230a_100000745349_100000760027 [0,2,0,0,0,0|2,0,0]=4 14034 B15R0.69 COCCOCCOCCC(=O)OC(C)C 7a_100011215163_100000760027 [0,2,0,0,0,0|2,0,0]=4 14035 B15R0.69 COCCOCCSCCC(=O)OC(C)C 62a_100000695917_100000760027 [0,2,0,0,0,0|2,0,0]=4 14036 B15R0.69 COCCOCCSCCC(=O)OC(C)C 62a_100000760027_100000695917 [0,2,0,0,0,0|2,0,0]=4 14037 B15R0.69 COCCSCCCCCC(=O)OC(C)C 62a_100000233755_200010986244 [0,2,0,0,0,0|1,0,0]=3 14038 B15R0.69 COCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000233755 [0,2,0,0,0,0|1,0,0]=3 14039 B15R0.69 CSCCNCCCCCC(=O)OC(C)C 2230a_100020590264_200010986244 [0,2,0,0,0,0|1,0,0]=3 14040 B15R0.69 CSCCOCCCCCC(=O)OC(C)C 34a_100000230434_200010986244 [0,2,0,0,0,0|1,0,0]=3 14041 B15R0.69 CSCCOCCCCCC(=O)OC(C)C 7a_100000230434_200010986244 [0,2,0,0,0,0|1,0,0]=3 14042 B15R0.69 CSCCSCCCCCC(=O)OC(C)C 62a_100000212216_200010986244 [0,2,0,0,0,0|1,0,0]=3 14043 B15R0.69 CSCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000751147 [0,2,0,0,0,0|1,0,0]=3 14044 B15R0.69 C[C@@H](O)CC(=O)CCCCCCCCCO 1458a_100011933948_100009813782 [0,2,0,0,0,0|1,0,0]=3 14045 B15R0.69 C[C@@H](O)CC(=O)NCCCCCCCCO 240690a_102515433106_100011933948 [0,2,0,0,0,0|2,0,0]=4 14046 B15R0.69 C[S+](C)CC(=O)CCCCCCCCCO 1458a_200159257847_100009813782 [0,2,0,0,0,0|2,0,0]=4 14047 B15R0.69 O=C(CCCCCCCCCF)CC(F)F 1458a_200009909015_100011934356 [0,2,0,0,0,0|2,0,0]=4 14048 B15R0.226 C=C(C)COCCCCCC(=O)OC(C)C 34a_100000210245_200010986244 [0,2,0,0,0,0|1,0,1]=4 14049 B15R0.226 C=C(C)CSCCCCCC(=O)OC(C)C 62a_100000748629_200010986244 [0,2,0,0,0,0|1,0,1]=4 14050 B15R0.226 C=C(C)CSCCCCCC(=O)OC(C)C 62a_200010986244_100000211660 [0,2,0,0,0,0|1,0,1]=4 14051 B15R0.226 CC(=O)CCCCSCCC(=O)OC(C)C 62a_100000735457_100000760027 [0,2,0,0,0,0|1,0,1]=4 14052 B15R0.226 CC(=O)CCCCSCCC(=O)OC(C)C 62a_100000760027_100000735457 [0,2,0,0,0,0|1,0,1]=4 14053 B15R0.226 CC(=O)COCCCCCC(=O)OC(C)C 34a_100000211253_200010986244 [0,2,0,0,0,0|1,0,1]=4 14054 B15R0.226 CC(Br)COCCCCCC(=O)OC(C)C 34a_100012180447_200010986244 [0,2,0,0,0,0|1,0,0]=3 14055 B15R0.226 CC(C)CCCCCCNC(=O)CC(C)C 11a_100000211014_100000210554 [0,2,0,0,0,0|2,0,0]=4 14056 B15R0.226 CC(C)CCCCCCNC(=O)CC(C)C 1626a_100000211014_100000210554 [0,2,0,0,0,0|2,0,0]=4 14057 B15R0.226 CC(C)CCCCCCNC(=O)CC(C)C 240690a_100000211014_100000210554 [0,2,0,0,0,0|2,0,0]=4 14058 B15R0.226 CC(C)CCCCCCNC(=O)CC(C)C 527a_100000211014_100000210554 [0,2,0,0,0,0|2,0,0]=4 14059 B15R0.226 CC(C)CCCCCCNC(=O)C[C@@H](C)O 240690a_100000211014_100011933948 [0,2,0,0,0,0|2,0,0]=4 14060 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 2708a_100000211014_100138425928 [0,2,0,0,0,0|2,0,0]=4 14061 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 2708a_100138425928_100000211014 [0,2,0,0,0,0|2,0,0]=4 14062 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 273464a_100138425928_100000211014 [0,2,0,0,0,0|2,0,0]=4 14063 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 512a_100000211014_100138425928 [0,2,0,0,0,0|2,0,0]=4 14064 B15R0.226 CC(C)CCCCCCNC(=O)NC(C)C 512a_100138425928_100000211014 [0,2,0,0,0,0|2,0,0]=4 14065 B15R0.226 CC(C)CCCCCNCC(=O)NC(C)C 2230a_100000168517_100000210682 [0,2,0,0,0,0|2,0,0]=4 14066 B15R0.226 CC(C)CCCCCNCC(=O)NC(C)C 2230a_100011290863_100000183996 [0,2,0,0,0,0|2,0,0]=4 14067 B15R0.226 CC(C)CCCCCNCC(=O)NC(C)C 34a_100011290863_100000183996 [0,2,0,0,0,0|2,0,0]=4 14068 B15R0.226 CC(C)CCCCCNCC(=O)OC(C)C 2230a_100011290863_100011215430 [0,2,0,0,0,0|1,0,0]=3 14069 B15R0.226 CC(C)CCCCCNCC(=O)OC(C)C 34a_100011290863_100011215430 [0,2,0,0,0,0|1,0,0]=3 14070 B15R0.226 CC(C)CCCCCOCC(=O)NC(C)C 34a_100011995859_100000183996 [0,2,0,0,0,0|2,0,0]=4 14071 B15R0.226 CC(C)CCCCCOCC(=O)NC(C)C 7a_100011995859_100000183996 [0,2,0,0,0,0|2,0,0]=4 14072 B15R0.226 CC(C)CCCCCOCC(=O)OC(C)C 34a_100011995859_100011215430 [0,2,0,0,0,0|1,0,0]=3 14073 B15R0.226 CC(C)CCCCCOCC(=O)OC(C)C 7a_100011995859_100011215430 [0,2,0,0,0,0|1,0,0]=3 14074 B15R0.226 CC(C)CCCCCSCC(=O)NC(C)C 62a_100000183996_100000210682 [0,2,0,0,0,0|2,0,0]=4 14075 B15R0.226 CC(C)CCCCCSCC(=O)NC(C)C 62a_100000210682_100000183996 [0,2,0,0,0,0|2,0,0]=4 14076 B15R0.226 CC(C)CCCCCSCC(=O)OC(C)C 62a_100000210682_100011215430 [0,2,0,0,0,0|1,0,0]=3 14077 B15R0.226 CC(C)CCCCCSCC(=O)OC(C)C 62a_100011215430_100000210682 [0,2,0,0,0,0|1,0,0]=3 14078 B15R0.226 CC(C)CCCCOCCC(=O)NC(C)C 7a_100011214890_100000737564 [0,2,0,0,0,0|2,0,0]=4 14079 B15R0.226 CC(C)CCCCOCCC(=O)OC(C)C 7a_100011214890_100000760027 [0,2,0,0,0,0|1,0,0]=3 14080 B15R0.226 CC(C)CCCCSCCC(=O)NC(C)C 62a_100000737564_100011216152 [0,2,0,0,0,0|2,0,0]=4 14081 B15R0.226 CC(C)CCCCSCCC(=O)NC(C)C 62a_100011216152_100000737564 [0,2,0,0,0,0|2,0,0]=4 14082 B15R0.226 CC(C)CCCCSCCC(=O)OC(C)C 62a_100000760027_100011216152 [0,2,0,0,0,0|1,0,0]=3 14083 B15R0.226 CC(C)CCCCSCCC(=O)OC(C)C 62a_100011216152_100000760027 [0,2,0,0,0,0|1,0,0]=3 14084 B15R0.226 CC(C)CCCCSCOC(=O)OC(C)C 62a_100000003507_100011216152 [0,2,0,0,0,0|2,0,0]=4 14085 B15R0.226 CC(C)CCCCSCOC(=O)OC(C)C 62a_100011216152_100000003507 [0,2,0,0,0,0|2,0,0]=4 14086 B15R0.226 CC(C)CNCCCCCC(=O)OC(C)C 2230a_100000210953_200010986244 [0,2,0,0,0,0|1,0,0]=3 14087 B15R0.226 CC(C)CNCCCCCC(=O)OC(C)C 34a_100000210953_200010986244 [0,2,0,0,0,0|1,0,0]=3 14088 B15R0.226 CC(C)COCCCCCC(=O)OC(C)C 34a_100000210257_200010986244 [0,2,0,0,0,0|1,0,0]=3 14089 B15R0.226 CC(C)COCCCNCC(=O)OC(C)C 2230a_100000205972_100011215430 [0,2,0,0,0,0|2,0,0]=4 14090 B15R0.226 CC(C)COCCCNCC(=O)OC(C)C 34a_100000205972_100011215430 [0,2,0,0,0,0|2,0,0]=4 14091 B15R0.226 CC(C)COCCOCCC(=O)OC(C)C 7a_100000703358_100000760027 [0,2,0,0,0,0|2,0,0]=4 14092 B15R0.226 CC(C)CSCCCCCC(=O)OC(C)C 62a_100000210624_200010986244 [0,2,0,0,0,0|1,0,0]=3 14093 B15R0.226 CC(C)CSCCCCCC(=O)OC(C)C 62a_200010986244_100000210760 [0,2,0,0,0,0|1,0,0]=3 14094 B15R0.226 CC(C)CSCCOCCC(=O)OC(C)C 7a_200000230437_100000760027 [0,2,0,0,0,0|2,0,0]=4 14095 B15R0.226 CC(C)NCCCCOCC(=O)OC(C)C 34a_100011521146_100011215430 [0,2,0,0,0,0|2,0,0]=4 14096 B15R0.226 CC(C)OC(=O)CCCCCNCC(F)F 34a_100000765723_200010986244 [0,2,0,0,0,0|2,0,0]=4 14097 B15R0.226 CC(C)OC(=O)CCCCCOCC(F)F 34a_100000743014_200010986244 [0,2,0,0,0,0|2,0,0]=4 14098 B15R0.226 CC(C)OC(=O)CCCCCOC[C@@H](C)Cl 34a_100016084084_200010986244 [0,2,0,0,0,0|1,0,0]=3 14099 B15R0.226 CC(C)OC(=O)CCCCCOC[C@@H](C)N 34a_100000737577_200010986244 [0,2,0,0,0,0|1,0,0]=3 14100 B15R0.226 CC(C)OC(=O)CCCCCSCC(F)F 62a_100011934356_200010986244 [0,2,0,0,0,0|2,0,0]=4 14101 B15R0.226 CC(C)OC(=O)CCCCCSCC(F)F 62a_200010986244_100011934356 [0,2,0,0,0,0|2,0,0]=4 14102 B15R0.226 CC(C)OC(=O)CCCCCSC[C@@H](C)O 62a_100009817552_200010986244 [0,2,0,0,0,0|1,0,0]=3 14103 B15R0.226 CC(C)OC(=O)CCCCCSC[C@@H](C)O 62a_200010986244_100009817552 [0,2,0,0,0,0|1,0,0]=3 14104 B15R0.226 CC(C)OC(=O)CCSCCCCN(C)C 62a_100000760027_100000690147 [0,2,0,0,0,0|2,0,0]=4 14105 B15R0.226 CC(C)OCCCNCCC(=O)OC(C)C 2230a_100000737246_100000760027 [0,2,0,0,0,0|2,0,0]=4 14106 B15R0.226 CC(F)COCCCCCC(=O)OC(C)C 34a_100015925927_200010986244 [0,2,0,0,0,0|1,0,0]=3 14107 B15R0.226 CC(O)CNCCCCCC(=O)OC(C)C 2230a_100000210904_200010986244 [0,2,0,0,0,0|1,0,0]=3 14108 B15R0.226 CC(O)CNCCCCCC(=O)OC(C)C 34a_100000210904_200010986244 [0,2,0,0,0,0|1,0,0]=3 14109 B15R0.226 CC(O)CSCCCCCC(=O)OC(C)C 62a_100011218427_200010986244 [0,2,0,0,0,0|1,0,0]=3 14110 B15R0.226 CC(O)CSCCCCCC(=O)OC(C)C 62a_200010986244_100011218427 [0,2,0,0,0,0|1,0,0]=3 14111 B15R0.372 CC(C)OC(=O)COC[C@@H](N)CCCCN 34a_100016993712_100011215430 [0,2,0,0,0,0|2,0,0]=4 14112 B15R0.372 CCCCCC(=O)CSCC(=O)OC(C)C 62a_100011215430_200012276598 [0,2,0,0,0,0|1,0,1]=4 14113 B15R0.372 CCCCCC(=O)CSCC(=O)OC(C)C 62a_200012276598_100011215430 [0,2,0,0,0,0|1,0,1]=4 14114 B15R0.372 CCCCCC(C)NCCC(=O)NC(C)C 2230a_100000211957_100000737564 [0,2,0,0,0,0|2,0,0]=4 14115 B15R0.372 CCCCCC(C)NCCC(=O)OC(C)C 2230a_100000211957_100000760027 [0,2,0,0,0,0|1,0,0]=3 14116 B15R0.372 CCCCCC(C)OCCC(=O)NC(C)C 7a_100011215632_100000737564 [0,2,0,0,0,0|2,0,0]=4 14117 B15R0.372 CCCCCC(C)OCCC(=O)OC(C)C 7a_100011215632_100000760027 [0,2,0,0,0,0|1,0,0]=3 14118 B15R0.372 CCCCCC(C)SCCC(=O)NC(C)C 62a_100000737564_200011218191 [0,2,0,0,0,0|2,0,0]=4 14119 B15R0.372 CCCCCC(C)SCCC(=O)NC(C)C 62a_200011218191_100000737564 [0,2,0,0,0,0|2,0,0]=4 14120 B15R0.372 CCCCCC(C)SCCC(=O)OC(C)C 62a_100000760027_200011218191 [0,2,0,0,0,0|1,0,0]=3 14121 B15R0.372 CCCCCC(C)SCCC(=O)OC(C)C 62a_200011218191_100000760027 [0,2,0,0,0,0|1,0,0]=3 14122 B15R0.372 CCCCCC(C)SCOC(=O)OC(C)C 62a_100000003507_200011218191 [0,2,0,0,0,0|2,0,0]=4 14123 B15R0.372 CCCCCC(C)SCOC(=O)OC(C)C 62a_200011218191_100000003507 [0,2,0,0,0,0|2,0,0]=4 14124 B15R0.372 CCCCCC(O)CCCC(=O)NC(C)C 1626a_100138425928_100020618878 [0,2,0,0,0,0|1,0,0]=3 14125 B15R0.372 CCCCCC(O)CCCC(=O)NC(C)C 240690a_100138425928_100020618878 [0,2,0,0,0,0|1,0,0]=3 14126 B15R0.372 CCCCCC(O)CCCC(=O)NC(C)C 527a_100138425928_100020618878 [0,2,0,0,0,0|1,0,0]=3 14127 B15R0.372 COCCCC(C)OCCC(=O)OC(C)C 7a_200011539412_100000760027 [0,2,0,0,0,0|2,0,0]=4 14128 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCC 11a_100000707721_100000210558 [0,2,0,0,0,0|1,0,0]=3 14129 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCC 1626a_100000707721_100000210558 [0,2,0,0,0,0|1,0,0]=3 14130 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCC 240690a_100000707721_100000210558 [0,2,0,0,0,0|1,0,0]=3 14131 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCC 527a_100000707721_100000210558 [0,2,0,0,0,0|1,0,0]=3 14132 B15R0.3221 C#CC(C)NC(=O)CCCCCCCCO 240690a_100000707721_100000015970 [0,2,0,0,0,0|2,0,0]=4 14133 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 2708a_100000229939_100000707721 [0,2,0,0,0,0|2,0,0]=4 14134 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 2708a_100000707721_100000229939 [0,2,0,0,0,0|2,0,0]=4 14135 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 273464a_100000229939_100000707721 [0,2,0,0,0,0|2,0,0]=4 14136 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 273464a_100000707721_100000229939 [0,2,0,0,0,0|2,0,0]=4 14137 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 512a_100000229939_100000707721 [0,2,0,0,0,0|2,0,0]=4 14138 B15R0.3221 C#CC(C)NC(=O)NCCCCCCCC 512a_100000707721_100000229939 [0,2,0,0,0,0|2,0,0]=4 14139 B15R0.3221 C#CC(C)OC(C)CCCCCCCCC 34a_100011218016_200000035995 [0,2,0,0,0,0|1,0,1]=4 14140 B15R0.3221 C=CC(C)CC(=O)CCCCCCCCC 1458a_100011934298_100000210670 [0,2,0,0,0,0|1,0,0]=3 14141 B15R0.3221 C=CC(C)CC(=O)CCCCCCCCO 1458a_100011934298_100000033203 [0,2,0,0,0,0|2,0,0]=4 14142 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCC 11a_100000229939_100011934298 [0,2,0,0,0,0|2,0,0]=4 14143 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCC 1626a_100000229939_100011934298 [0,2,0,0,0,0|2,0,0]=4 14144 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCC 240690a_100000229939_100011934298 [0,2,0,0,0,0|2,0,0]=4 14145 B15R0.3221 C=CC(C)CC(=O)NCCCCCCCC 527a_100000229939_100011934298 [0,2,0,0,0,0|2,0,0]=4 14146 B15R0.3221 CCC(=CC(=O)CCCCCCCCO)C 1458a_100020758463_100000033203 [0,2,0,0,0,0|2,0,0]=4 14147 B15R0.3221 CCC(C)CC(=O)CCCCCCCCO 1458a_100000708755_100000033203 [0,2,0,0,0,0|2,0,0]=4 14148 B15R0.3221 CCC(C)NC(=O)CCCCCCCCO 240690a_100000209981_100000015970 [0,2,0,0,0,0|2,0,0]=4 14149 B15R0.3221 CCC(O)CC(=O)CCCCCCCCO 1458a_100011667805_100000033203 [0,2,0,0,0,0|2,0,0]=4 14150 B15R0.3221 CCCCCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210670 [0,2,0,0,0,0|1,0,0]=3 14151 B15R0.3221 CCCCCCCCCC(=O)CC(=O)CC 1458a_100000210558_100000747405 [0,2,0,0,0,0|1,0,0]=3 14152 B15R0.3221 CCCCCCCCCC(=O)CC(=O)NC 1458a_100000210558_100000183359 [0,2,0,0,0,0|1,0,1]=4 14153 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000210558_100000747449 [0,2,0,0,0,0|1,0,1]=4 14154 B15R0.3221 CCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210670 [0,2,0,0,0,0|1,0,1]=4 14155 B15R0.3221 CCCCCCCCCC(=O)CC(C)CC 1458a_100000210558_100000748023 [0,2,0,0,0,0|1,0,0]=3 14156 B15R0.3221 CCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210670 [0,2,0,0,0,0|1,0,0]=3 14157 B15R0.3221 CCCCCCCCCC(=O)CC(O)CC 1458a_100000210558_100011218378 [0,2,0,0,0,0|1,0,0]=3 14158 B15R0.3221 CCCCCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210670 [0,2,0,0,0,0|1,0,0]=3 14159 B15R0.3221 CCCCCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210670 [0,2,0,0,0,0|1,0,0]=3 14160 B15R0.3221 CCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210558_100009816398 [0,2,0,0,0,0|1,0,0]=3 14161 B15R0.3221 CCCCCCCCCC(=O)C[C@@H](C)CO 1458a_100000210558_100000059175 [0,2,0,0,0,0|1,0,0]=3 14162 B15R0.3221 CCCCCCCCCC(=O)NC(C)C#N 11a_100000737613_100000210558 [0,2,0,0,0,0|1,0,0]=3 14163 B15R0.3221 CCCCCCCCCC(=O)NC(C)C#N 1626a_100000737613_100000210558 [0,2,0,0,0,0|1,0,0]=3 14164 B15R0.3221 CCCCCCCCCC(=O)NC(C)C#N 527a_100000737613_100000210558 [0,2,0,0,0,0|1,0,0]=3 14165 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 11a_100000209981_100000210558 [0,2,0,0,0,0|1,0,0]=3 14166 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 1626a_100000209981_100000210558 [0,2,0,0,0,0|1,0,0]=3 14167 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 240690a_100000209981_100000210558 [0,2,0,0,0,0|1,0,0]=3 14168 B15R0.3221 CCCCCCCCCC(=O)NC(C)CC 527a_100000209981_100000210558 [0,2,0,0,0,0|1,0,0]=3 14169 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210558 [0,2,0,0,0,0|1,0,0]=3 14170 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210558 [0,2,0,0,0,0|1,0,0]=3 14171 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210558 [0,2,0,0,0,0|1,0,0]=3 14172 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210558 [0,2,0,0,0,0|1,0,0]=3 14173 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210558 [0,2,0,0,0,0|1,0,0]=3 14174 B15R0.3221 CCCCCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210558 [0,2,0,0,0,0|1,0,0]=3 14175 B15R0.3221 CCCCCCCCCC(C)OC(C)C#N 7a_100011218016_100000703298 [0,2,0,0,0,0|1,0,1]=4 14176 B15R0.3221 CCCCCCCCCC(C)OC(C)CC 34a_100011218016_100011215416 [0,2,0,0,0,0|1,0,1]=4 14177 B15R0.3221 CCCCCCCCCC(C)OC(C)CC 7a_100011218016_100000758301 [0,2,0,0,0,0|1,0,1]=4 14178 B15R0.3221 CCCCCCCCCC(C)OC(C)CO 34a_100011218016_100012180447 [0,2,0,0,0,0|1,0,1]=4 14179 B15R0.3221 CCCCCCCCCC(C)OC(C)CO 7a_100011218016_100012180447 [0,2,0,0,0,0|1,0,1]=4 14180 B15R0.3221 CCCCCCCCNC(=O)C=C(C)CC 11a_100000229939_100020758463 [0,2,0,0,0,0|2,0,0]=4 14181 B15R0.3221 CCCCCCCCNC(=O)C=C(C)CC 1626a_100000229939_100020758463 [0,2,0,0,0,0|2,0,0]=4 14182 B15R0.3221 CCCCCCCCNC(=O)C=C(C)CC 240690a_100000229939_100020758463 [0,2,0,0,0,0|2,0,0]=4 14183 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 11a_100000229939_100000708755 [0,2,0,0,0,0|2,0,0]=4 14184 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 1626a_100000229939_100000708755 [0,2,0,0,0,0|2,0,0]=4 14185 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 240690a_100000229939_100000708755 [0,2,0,0,0,0|2,0,0]=4 14186 B15R0.3221 CCCCCCCCNC(=O)CC(C)CC 527a_100000229939_100000708755 [0,2,0,0,0,0|2,0,0]=4 14187 B15R0.3221 CCCCCCCCNC(=O)CC(O)CC 1626a_100000229939_100011667805 [0,2,0,0,0,0|2,0,0]=4 14188 B15R0.3221 CCCCCCCCNC(=O)CC(O)CC 240690a_100000229939_100011667805 [0,2,0,0,0,0|2,0,0]=4 14189 B15R0.3221 CCCCCCCCNC(=O)CN(C)CC 240690a_100000229939_100116209913 [0,2,0,0,0,0|2,0,0]=4 14190 B15R0.3221 CCCCCCCCNC(=O)CN(C)CC 527a_100000229939_100116209913 [0,2,0,0,0,0|2,0,0]=4 14191 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 2708a_100000229939_100000737613 [0,2,0,0,0,0|2,0,0]=4 14192 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 2708a_100000737613_100000229939 [0,2,0,0,0,0|2,0,0]=4 14193 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 273464a_100000229939_100000737613 [0,2,0,0,0,0|2,0,0]=4 14194 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 273464a_100000737613_100000229939 [0,2,0,0,0,0|2,0,0]=4 14195 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 512a_100000229939_100000737613 [0,2,0,0,0,0|2,0,0]=4 14196 B15R0.3221 CCCCCCCCNC(=O)NC(C)C#N 512a_100000737613_100000229939 [0,2,0,0,0,0|2,0,0]=4 14197 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 2708a_100000209981_100000229939 [0,2,0,0,0,0|2,0,0]=4 14198 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 2708a_100000229939_100000209981 [0,2,0,0,0,0|2,0,0]=4 14199 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 273464a_100000209981_100000229939 [0,2,0,0,0,0|2,0,0]=4 14200 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 273464a_100000229939_100000209981 [0,2,0,0,0,0|2,0,0]=4 14201 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 512a_100000209981_100000229939 [0,2,0,0,0,0|2,0,0]=4 14202 B15R0.3221 CCCCCCCCNC(=O)NC(C)CC 512a_100000229939_100000209981 [0,2,0,0,0,0|2,0,0]=4 14203 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 2708a_100000229939_100102880703 [0,2,0,0,0,0|2,0,0]=4 14204 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 273464a_100000229939_100102880703 [0,2,0,0,0,0|2,0,0]=4 14205 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000229939 [0,2,0,0,0,0|2,0,0]=4 14206 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 512a_100000229939_100102880703 [0,2,0,0,0,0|2,0,0]=4 14207 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000229939 [0,2,0,0,0,0|2,0,0]=4 14208 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CO 2708a_100000229939_100000737577 [0,2,0,0,0,0|2,0,0]=4 14209 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000229939 [0,2,0,0,0,0|2,0,0]=4 14210 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CO 512a_100000229939_100000737577 [0,2,0,0,0,0|2,0,0]=4 14211 B15R0.3221 CCCCCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000229939 [0,2,0,0,0,0|2,0,0]=4 14212 B15R0.3221 CCCCCCCNCC(=O)NC(C)CC 2230a_100000229938_100000182745 [0,2,0,0,0,0|2,0,0]=4 14213 B15R0.3221 CCCCCCCOCC(=O)NC(C)CC 34a_100000210272_100000182745 [0,2,0,0,0,0|2,0,0]=4 14214 B15R0.3221 CCCCCCCOCC(=O)NC(C)CC 7a_100000210272_100000182745 [0,2,0,0,0,0|2,0,0]=4 14215 B15R0.3221 CCCCCCCSCC(=O)NC(C)CC 62a_100000182745_100000210316 [0,2,0,0,0,0|2,0,0]=4 14216 B15R0.3221 CCCCCCCSCC(=O)NC(C)CC 62a_100000210614_100000182745 [0,2,0,0,0,0|2,0,0]=4 14217 B15R0.3221 CCN(C)CC(=O)CCCCCCCCO 1458a_100116209913_100000033203 [0,2,0,0,0,0|2,0,0]=4 14218 B15R0.3221 C[C@H](CF)NC(=O)CCCCCCCCO 240690a_100102880703_100000015970 [0,2,0,0,0,0|2,0,0]=4 14219 B15R0.3221 C[C@H](CO)NC(=O)CCCCCCCCO 240690a_100000737577_100000015970 [0,2,0,0,0,0|2,0,0]=4 14220 B15R0.3232 CC(C)(C)CC(=O)CCCCCCCCO 1458a_100000211214_100000033203 [0,2,0,0,0,0|2,0,0]=4 14221 B15R0.3232 CC(C)(C)NC(=O)CCCCCCCCO 240690a_100000715429_100000015970 [0,2,0,0,0,0|2,0,0]=4 14222 B15R0.3232 CC(C)(C)OC(=O)CCCCCCCO[13CH3] 34a_100032214103_200025704644 [0,2,0,0,0,0|1,0,0]=3 14223 B15R0.3232 CC(C)(C)OC(=O)CCCCCCCO[13CH3] 7a_100032214103_200025704644 [0,2,0,0,0,0|1,0,0]=3 14224 B15R0.3232 CC(C)(C)OC(=O)CCCCCCCS[13CH3] 62a_100010978495_200025704644 [0,2,0,0,0,0|1,0,0]=3 14225 B15R0.3232 CC(C)(C)OC(=O)CCCCCCCS[13CH3] 62a_200025704644_100010978495 [0,2,0,0,0,0|1,0,0]=3 14226 B15R0.3232 CC(C)(C)OC(=O)CCCCCCOCF 34a_100048648013_100015361967 [0,2,0,0,0,0|2,0,0]=4 14227 B15R0.3232 CC(C)(C)OC(=O)CCCCCCOCF 7a_100048648013_100015361967 [0,2,0,0,0,0|2,0,0]=4 14228 B15R0.3232 CC(C)(C)OC(=O)CCCCCCSCF 62a_100010989376_100015361967 [0,2,0,0,0,0|2,0,0]=4 14229 B15R0.3232 CC(C)(C)OC(=O)CCCCCCSCF 62a_100015361967_100010989376 [0,2,0,0,0,0|2,0,0]=4 14230 B15R0.3232 CC(C)(C)OC(=O)CCCCCNCCF 34a_100000724931_100010886488 [0,2,0,0,0,0|2,0,0]=4 14231 B15R0.3232 CC(C)(C)OC(=O)CCCCCNCCO 2230a_100016997473_100010886488 [0,2,0,0,0,0|2,0,0]=4 14232 B15R0.3232 CC(C)(C)OC(=O)CCCCCNCCO 34a_100016990907_100010886488 [0,2,0,0,0,0|2,0,0]=4 14233 B15R0.3232 CC(C)(C)OC(=O)CCCCCOCCBr 34a_100000211926_100010886488 [0,2,0,0,0,0|2,0,0]=4 14234 B15R0.3232 CC(C)(C)OC(=O)CCCCCOCCF 34a_100000097220_100011217306 [0,2,0,0,0,0|2,0,0]=4 14235 B15R0.3232 CC(C)(C)OC(=O)CCCCCOCCF 7a_100000097220_100011217306 [0,2,0,0,0,0|2,0,0]=4 14236 B15R0.3232 CC(C)(C)OC(=O)CCCCCOCCN 34a_100000210304_100010886488 [0,2,0,0,0,0|2,0,0]=4 14237 B15R0.3232 CC(C)(C)OC(=O)CCCCCOCCO 34a_100000097220_100000211926 [0,2,0,0,0,0|2,0,0]=4 14238 B15R0.3232 CC(C)(C)OC(=O)CCCCCOCCO 7a_100000097220_100000211926 [0,2,0,0,0,0|2,0,0]=4 14239 B15R0.3232 CC(C)(C)OC(=O)CCCCCSCCF 62a_100010886488_100011217306 [0,2,0,0,0,0|2,0,0]=4 14240 B15R0.3232 CC(C)(C)OC(=O)CCCCCSCCF 62a_100011217306_100010886488 [0,2,0,0,0,0|2,0,0]=4 14241 B15R0.3232 CC(C)(C)OC(=O)CCCCCSCCO 62a_100000211926_100010886488 [0,2,0,0,0,0|2,0,0]=4 14242 B15R0.3232 CC(C)(C)OC(=O)CCCCCSCCO 62a_100010886488_100000211926 [0,2,0,0,0,0|2,0,0]=4 14243 B15R0.3232 CC(C)(C)OC(=O)CCCCNCCCF 2230a_100015189416_100010889705 [0,2,0,0,0,0|2,0,0]=4 14244 B15R0.3232 CC(C)(C)OC(=O)CCCCNCCCF 34a_100015189416_100010889705 [0,2,0,0,0,0|2,0,0]=4 14245 B15R0.3232 CC(C)(C)OC(=O)CCCCOCCCBr 34a_100011217188_100010889705 [0,2,0,0,0,0|2,0,0]=4 14246 B15R0.3232 CC(C)(C)OC(=O)CCCCOCCCCl 34a_100000230001_100010889705 [0,2,0,0,0,0|2,0,0]=4 14247 B15R0.3232 CC(C)(C)OC(=O)CCCCOCCCF 34a_100000759539_100010889705 [0,2,0,0,0,0|2,0,0]=4 14248 B15R0.3232 CC(C)(C)OC(=O)CCCCOCCCN 34a_100000182051_100010889705 [0,2,0,0,0,0|2,0,0]=4 14249 B15R0.3232 CC(C)(C)OC(=O)CCCCSCCCF 62a_100010889705_100011934791 [0,2,0,0,0,0|2,0,0]=4 14250 B15R0.3232 CC(C)(C)OC(=O)CCCCSCCCF 62a_100011934791_100010889705 [0,2,0,0,0,0|2,0,0]=4 14251 B15R0.3232 CC(C)(C)OC(=O)CCCCSCCCO 62a_100010889705_100011215043 [0,2,0,0,0,0|2,0,0]=4 14252 B15R0.3232 CC(C)(C)OC(=O)CCCCSCCCO 62a_100011215043_100010889705 [0,2,0,0,0,0|2,0,0]=4 14253 B15R0.3232 CC(C)(C)OC(=O)CCCNCCCCO 2230a_100000750430_100000708543 [0,2,0,0,0,0|2,0,0]=4 14254 B15R0.3232 CC(C)(C)OC(=O)CCCNCCCCO 34a_100000750430_100000708543 [0,2,0,0,0,0|2,0,0]=4 14255 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCBr 34a_100011216708_100000708543 [0,2,0,0,0,0|2,0,0]=4 14256 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCCl 34a_100000210776_100000708543 [0,2,0,0,0,0|2,0,0]=4 14257 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCCl 7a_100000210776_100000708543 [0,2,0,0,0,0|2,0,0]=4 14258 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCF 34a_100000067108_100000729493 [0,2,0,0,0,0|2,0,0]=4 14259 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCF 34a_100011995726_100000708543 [0,2,0,0,0,0|2,0,0]=4 14260 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCF 7a_100000067108_100000729493 [0,2,0,0,0,0|2,0,0]=4 14261 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCF 7a_100011995726_100000708543 [0,2,0,0,0,0|2,0,0]=4 14262 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCI 34a_200012148704_100000708543 [0,2,0,0,0,0|2,0,0]=4 14263 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCN 34a_100000750430_100000708543 [0,2,0,0,0,0|2,0,0]=4 14264 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCO 34a_100000067108_100011216708 [0,2,0,0,0,0|2,0,0]=4 14265 B15R0.3232 CC(C)(C)OC(=O)CCCOCCCCO 7a_100000067108_100000210776 [0,2,0,0,0,0|2,0,0]=4 14266 B15R0.3232 CC(C)(C)OC(=O)CCCSCCCCF 62a_100000708543_100000729493 [0,2,0,0,0,0|2,0,0]=4 14267 B15R0.3232 CC(C)(C)OC(=O)CCCSCCCCF 62a_100000729493_100000708543 [0,2,0,0,0,0|2,0,0]=4 14268 B15R0.3232 CC(C)(C)OC(=O)CCCSCCCCO 62a_100000210776_100000708543 [0,2,0,0,0,0|2,0,0]=4 14269 B15R0.3232 CC(C)(C)OC(=O)CCCSCCCCO 62a_100000708543_100000210776 [0,2,0,0,0,0|2,0,0]=4 14270 B15R0.3232 CC(C)(C)OC(=O)CCNCCCCCO 2230a_100000762737_100009816755 [0,2,0,0,0,0|2,0,0]=4 14271 B15R0.3232 CC(C)(C)OC(=O)CCNCCCCCO 34a_100000762737_100009816755 [0,2,0,0,0,0|2,0,0]=4 14272 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCBr 34a_100000746331_100009816755 [0,2,0,0,0,0|2,0,0]=4 14273 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCBr 7a_100000746331_100009816755 [0,2,0,0,0,0|2,0,0]=4 14274 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCCl 34a_100000746330_100009816755 [0,2,0,0,0,0|2,0,0]=4 14275 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCCl 7a_100000746330_100009816755 [0,2,0,0,0,0|2,0,0]=4 14276 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCF 34a_100011934494_100000729378 [0,2,0,0,0,0|2,0,0]=4 14277 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCF 7a_100011934494_100000729378 [0,2,0,0,0,0|2,0,0]=4 14278 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCI 34a_200012148887_100009816755 [0,2,0,0,0,0|2,0,0]=4 14279 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCI 7a_200012148887_100009816755 [0,2,0,0,0,0|2,0,0]=4 14280 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCN 34a_100000762737_100009816755 [0,2,0,0,0,0|2,0,0]=4 14281 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCO 34a_100011934494_100000746330 [0,2,0,0,0,0|2,0,0]=4 14282 B15R0.3232 CC(C)(C)OC(=O)CCOCCCCCO 7a_100011934494_100000746330 [0,2,0,0,0,0|2,0,0]=4 14283 B15R0.3232 CC(C)(C)OC(=O)CCSCCCCCF 62a_100000729378_100009816755 [0,2,0,0,0,0|2,0,0]=4 14284 B15R0.3232 CC(C)(C)OC(=O)CCSCCCCCF 62a_100009816755_100000729378 [0,2,0,0,0,0|2,0,0]=4 14285 B15R0.3232 CC(C)(C)OC(=O)CCSCCCCCO 62a_100000746330_100009816755 [0,2,0,0,0,0|2,0,0]=4 14286 B15R0.3232 CC(C)(C)OC(=O)CCSCCCCCO 62a_100009816755_100000746330 [0,2,0,0,0,0|2,0,0]=4 14287 B15R0.3232 CC(C)(C)OC(=O)CNCCCCCCO 2230a_100000686447_100000183872 [0,2,0,0,0,0|2,0,0]=4 14288 B15R0.3232 CC(C)(C)OC(=O)CNCCCCCCO 34a_100000686447_100000183872 [0,2,0,0,0,0|2,0,0]=4 14289 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCBr 34a_100011215345_100000183872 [0,2,0,0,0,0|2,0,0]=4 14290 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCBr 7a_100011215345_100000183872 [0,2,0,0,0,0|2,0,0]=4 14291 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCCl 34a_100000766143_100000183872 [0,2,0,0,0,0|2,0,0]=4 14292 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCCl 7a_100000766143_100000183872 [0,2,0,0,0,0|2,0,0]=4 14293 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCF 34a_100000732779_100000183872 [0,2,0,0,0,0|2,0,0]=4 14294 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCF 34a_100000752683_100015922095 [0,2,0,0,0,0|2,0,0]=4 14295 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCF 7a_100000732779_100000183872 [0,2,0,0,0,0|2,0,0]=4 14296 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCN 34a_100000686447_100000183872 [0,2,0,0,0,0|2,0,0]=4 14297 B15R0.3232 CC(C)(C)OC(=O)COCCCCCCO 34a_100000752683_100000766143 [0,2,0,0,0,0|2,0,0]=4 14298 B15R0.3232 CC(C)(C)OC(=O)CSCCCCCCF 62a_100000183872_100015922095 [0,2,0,0,0,0|2,0,0]=4 14299 B15R0.3232 CC(C)(C)OC(=O)CSCCCCCCF 62a_100015922095_100000183872 [0,2,0,0,0,0|2,0,0]=4 14300 B15R0.3232 CC(C)(C)OC(=O)CSCCCCCCO 62a_100000183872_100000766143 [0,2,0,0,0,0|2,0,0]=4 14301 B15R0.3232 CC(C)(C)OC(=O)CSCCCCCCO 62a_100000766143_100000183872 [0,2,0,0,0,0|2,0,0]=4 14302 B15R0.3232 CC(C)(C)OC(=O)NCCCCCCO[13CH3] 34a_100011215889_200025704644 [0,2,0,0,0,0|2,0,0]=4 14303 B15R0.3232 CC(C)(C)OC(=O)NCCCCCCO[13CH3] 7a_100011215889_200025704644 [0,2,0,0,0,0|2,0,0]=4 14304 B15R0.3232 CC(C)(C)OC(=O)NCCCCCCS[13CH3] 62a_100000734191_200025704644 [0,2,0,0,0,0|2,0,0]=4 14305 B15R0.3232 CC(C)(C)OC(=O)NCCCCCCS[13CH3] 62a_200025704644_100000734191 [0,2,0,0,0,0|2,0,0]=4 14306 B15R0.3232 CC(C)(O)CC(=O)CCCCCCCCO 1458a_100000693243_100000033203 [0,2,0,0,0,0|2,0,0]=4 14307 B15R0.3232 CCCCCCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210670 [0,2,0,0,0,0|1,0,0]=3 14308 B15R0.3232 CCCCCCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210670 [0,2,0,0,0,0|1,0,0]=3 14309 B15R0.3232 CCCCCCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210670 [0,2,0,0,0,0|2,0,0]=4 14310 B15R0.3232 CCCCCCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210670 [0,2,0,0,0,0|2,0,0]=4 14311 B15R0.3232 CCCCCCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210670 [0,2,0,0,0,0|2,0,0]=4 14312 B15R0.3232 CCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100000210558_100000233785 [0,2,0,0,0,0|1,1,0]=4 14313 B15R0.3232 CCCCCCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210670 [0,2,0,0,0,0|1,1,0]=4 14314 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C 11a_100000715429_100000210558 [0,2,0,0,0,0|1,0,0]=3 14315 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210558 [0,2,0,0,0,0|1,0,0]=3 14316 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210558 [0,2,0,0,0,0|1,0,0]=3 14317 B15R0.3232 CCCCCCCCCC(=O)NC(C)(C)C 527a_100000715429_100000210558 [0,2,0,0,0,0|1,0,0]=3 14318 B15R0.3232 CCCCCCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210558 [0,2,0,0,0,0|2,0,0]=4 14319 B15R0.3232 CCCCCCCCCC(C)OC(C)(C)C 34a_100011218016_100000210625 [0,2,0,0,0,0|1,0,1]=4 14320 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C 11a_100000229939_100000211214 [0,2,0,0,0,0|2,0,0]=4 14321 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C 1626a_100000229939_100000211214 [0,2,0,0,0,0|2,0,0]=4 14322 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C 240690a_100000229939_100000211214 [0,2,0,0,0,0|2,0,0]=4 14323 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)C 527a_100000229939_100000211214 [0,2,0,0,0,0|2,0,0]=4 14324 B15R0.3232 CCCCCCCCNC(=O)CC(C)(C)O 527a_100000229939_100000693243 [0,2,0,0,0,0|2,0,0]=4 14325 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C 2708a_100000229939_100000715429 [0,2,0,0,0,0|2,0,0]=4 14326 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C 273464a_100000229939_100000715429 [0,2,0,0,0,0|2,0,0]=4 14327 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000229939 [0,2,0,0,0,0|2,0,0]=4 14328 B15R0.3232 CCCCCCCCNC(=O)NC(C)(C)C 512a_100000715429_100000229939 [0,2,0,0,0,0|2,0,0]=4 14329 B15R0.3232 CCCCCCCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210681 [0,2,0,0,0,0|2,0,0]=4 14330 B15R0.3232 CCCCCCCNCC(=O)NC(C)(C)C 2230a_100000229938_100000182746 [0,2,0,0,0,0|2,0,0]=4 14331 B15R0.3232 CCCCCCCNCC(=O)NC(C)(C)C 34a_100000174917_100000210614 [0,2,0,0,0,0|2,0,0]=4 14332 B15R0.3232 CCCCCCCNCC(=O)OC(C)(C)C 2230a_100000229938_100000183872 [0,2,0,0,0,0|1,0,0]=3 14333 B15R0.3232 CCCCCCCNCC(=O)O[Si](C)(C)C 2230a_100000229938_200009813336 [0,2,0,0,0,0|1,1,0]=4 14334 B15R0.3232 CCCCCCCOCC(=O)NC(C)(C)C 34a_100000210272_100000182746 [0,2,0,0,0,0|2,0,0]=4 14335 B15R0.3232 CCCCCCCOCC(=O)NC(C)(C)C 7a_100000210272_100000182746 [0,2,0,0,0,0|2,0,0]=4 14336 B15R0.3232 CCCCCCCOCC(=O)OC(C)(C)C 34a_100000210272_100000183872 [0,2,0,0,0,0|1,0,0]=3 14337 B15R0.3232 CCCCCCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210614 [0,2,0,0,0,0|1,0,0]=3 14338 B15R0.3232 CCCCCCCOCC(=O)OC(C)(C)C 7a_100000210272_100000183872 [0,2,0,0,0,0|1,0,0]=3 14339 B15R0.3232 CCCCCCCOCC(=O)O[Si](C)(C)C 34a_100000210272_200009813336 [0,2,0,0,0,0|1,1,0]=4 14340 B15R0.3232 CCCCCCCOCC(=O)O[Si](C)(C)C 7a_100000210272_200009813336 [0,2,0,0,0,0|1,1,0]=4 14341 B15R0.3232 CCCCCCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210316 [0,2,0,0,0,0|2,0,0]=4 14342 B15R0.3232 CCCCCCCSCC(=O)NC(C)(C)C 62a_100000210614_100000182746 [0,2,0,0,0,0|2,0,0]=4 14343 B15R0.3232 CCCCCCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210316 [0,2,0,0,0,0|1,0,0]=3 14344 B15R0.3232 CCCCCCCSCC(=O)OC(C)(C)C 62a_100000210614_100000183872 [0,2,0,0,0,0|1,0,0]=3 14345 B15R0.3232 CCCCCCCSCC(=O)O[Si](C)(C)C 62a_100000210614_200009813336 [0,2,0,0,0,0|1,1,0]=4 14346 B15R0.3232 CCCCCCCSCC(=O)O[Si](C)(C)C 62a_200009813336_100000210316 [0,2,0,0,0,0|1,1,0]=4 14347 B15R0.3232 CCCCCCNCCC(=O)NC(C)(C)C 2230a_100000210581_100011194433 [0,2,0,0,0,0|2,0,0]=4 14348 B15R0.3232 CCCCCCNCCC(=O)OC(C)(C)C 2230a_100000210581_100009816755 [0,2,0,0,0,0|1,0,0]=3 14349 B15R0.3232 CCCCCCOCCC(=O)NC(C)(C)C 7a_100000210259_100011194433 [0,2,0,0,0,0|2,0,0]=4 14350 B15R0.3232 CCCCCCOCCC(=O)OC(C)(C)C 34a_100000210259_100009816755 [0,2,0,0,0,0|1,0,0]=3 14351 B15R0.3232 CCCCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210314 [0,2,0,0,0,0|1,0,0]=3 14352 B15R0.3232 CCCCCCOCCC(=O)OC(C)(C)C 7a_100000210259_100009816755 [0,2,0,0,0,0|1,0,0]=3 14353 B15R0.3232 CCCCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210314 [0,2,0,0,0,0|1,0,0]=3 14354 B15R0.3232 CCCCCCSCCC(=O)NC(C)(C)C 62a_100000210314_100011194433 [0,2,0,0,0,0|2,0,0]=4 14355 B15R0.3232 CCCCCCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210757 [0,2,0,0,0,0|2,0,0]=4 14356 B15R0.3232 CCCCCCSCCC(=O)OC(C)(C)C 62a_100000210314_100009816755 [0,2,0,0,0,0|1,0,0]=3 14357 B15R0.3232 CCCCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210757 [0,2,0,0,0,0|1,0,0]=3 14358 B15R0.3232 CCCCCNCCCC(=O)NC(C)(C)C 2230a_100000209983_100011194434 [0,2,0,0,0,0|2,0,0]=4 14359 B15R0.3232 CCCCCNCCCC(=O)OC(C)(C)C 2230a_100000209983_100000708543 [0,2,0,0,0,0|1,0,0]=3 14360 B15R0.3232 CCCCCNCCNC(=O)OC(C)(C)C 2230a_100000209983_100000691259 [0,2,0,0,0,0|2,0,0]=4 14361 B15R0.3232 CCCCCOCCCC(=O)NC(C)(C)C 7a_100000210253_100011194434 [0,2,0,0,0,0|2,0,0]=4 14362 B15R0.3232 CCCCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000718602 [0,2,0,0,0,0|1,0,0]=3 14363 B15R0.3232 CCCCCOCCCC(=O)OC(C)(C)C 34a_100000210253_100000708543 [0,2,0,0,0,0|1,0,0]=3 14364 B15R0.3232 CCCCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000210326 [0,2,0,0,0,0|1,0,0]=3 14365 B15R0.3232 CCCCCOCCCC(=O)OC(C)(C)C 7a_100000210253_100000708543 [0,2,0,0,0,0|1,0,0]=3 14366 B15R0.3232 CCCCCOCCNC(=O)OC(C)(C)C 34a_100000743822_100000718602 [0,2,0,0,0,0|2,0,0]=4 14367 B15R0.3232 CCCCCOCCNC(=O)OC(C)(C)C 7a_100000210253_100000691259 [0,2,0,0,0,0|2,0,0]=4 14368 B15R0.3232 CCCCCOCCNC(=O)OC(C)(C)C 7a_100000743822_100000210326 [0,2,0,0,0,0|2,0,0]=4 14369 B15R0.3232 CCCCCSCCCC(=O)NC(C)(C)C 62a_100000210326_100011194434 [0,2,0,0,0,0|2,0,0]=4 14370 B15R0.3232 CCCCCSCCCC(=O)NC(C)(C)C 62a_100011194434_100000210326 [0,2,0,0,0,0|2,0,0]=4 14371 B15R0.3232 CCCCCSCCCC(=O)OC(C)(C)C 62a_100000210326_100000708543 [0,2,0,0,0,0|1,0,0]=3 14372 B15R0.3232 CCCCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000210326 [0,2,0,0,0,0|1,0,0]=3 14373 B15R0.3232 CCCCCSCCNC(=O)OC(C)(C)C 62a_100000210326_100000691259 [0,2,0,0,0,0|2,0,0]=4 14374 B15R0.3232 CCCCCSCCNC(=O)OC(C)(C)C 62a_100000691259_100000210326 [0,2,0,0,0,0|2,0,0]=4 14375 B15R0.3232 CCCCNCCCCC(=O)OC(C)(C)C 2230a_100000102301_100010889705 [0,2,0,0,0,0|1,0,0]=3 14376 B15R0.3232 CCCCNCCCCC(=O)OC(C)(C)C 7a_106832991798_100010889705 [0,2,0,0,0,0|1,0,0]=3 14377 B15R0.3232 CCCCNCCCNC(=O)OC(C)(C)C 2230a_100000102301_100000725178 [0,2,0,0,0,0|2,0,0]=4 14378 B15R0.3232 CCCCNCCCNC(=O)OC(C)(C)C 7a_106832991798_100000725178 [0,2,0,0,0,0|2,0,0]=4 14379 B15R0.3232 CCCCNCCOCC(=O)OC(C)(C)C 2230a_100000102301_100011092059 [0,2,0,0,0,0|2,0,0]=4 14380 B15R0.3232 CCCCNCCOCC(=O)OC(C)(C)C 7a_106832991798_100011092059 [0,2,0,0,0,0|2,0,0]=4 14381 B15R0.3232 CCCCOCCCCC(=O)OC(C)(C)C 34a_100000210227_100010889705 [0,2,0,0,0,0|1,0,0]=3 14382 B15R0.3232 CCCCOCCCCC(=O)OC(C)(C)C 7a_100000210227_100010889705 [0,2,0,0,0,0|1,0,0]=3 14383 B15R0.3232 CCCCOCCCNC(=O)OC(C)(C)C 34a_100000210227_100000725178 [0,2,0,0,0,0|2,0,0]=4 14384 B15R0.3232 CCCCOCCCNC(=O)OC(C)(C)C 34a_100000743756_100000210210 [0,2,0,0,0,0|2,0,0]=4 14385 B15R0.3232 CCCCOCCCNC(=O)OC(C)(C)C 7a_100000210227_100000725178 [0,2,0,0,0,0|2,0,0]=4 14386 B15R0.3232 CCCCOCCCNC(=O)OC(C)(C)C 7a_100000743756_100000210211 [0,2,0,0,0,0|2,0,0]=4 14387 B15R0.3232 CCCCOCCOCC(=O)OC(C)(C)C 34a_100000210227_100011092059 [0,2,0,0,0,0|2,0,0]=4 14388 B15R0.3232 CCCCOCCOCC(=O)OC(C)(C)C 34a_100000210238_100000183872 [0,2,0,0,0,0|2,0,0]=4 14389 B15R0.3232 CCCCOCCOCC(=O)OC(C)(C)C 34a_100000752683_100000743108 [0,2,0,0,0,0|2,0,0]=4 14390 B15R0.3232 CCCCOCCOCC(=O)OC(C)(C)C 34a_100010982675_100000210210 [0,2,0,0,0,0|2,0,0]=4 14391 B15R0.3232 CCCCOCCOCC(=O)OC(C)(C)C 7a_100000210227_100011092059 [0,2,0,0,0,0|2,0,0]=4 14392 B15R0.3232 CCCCOCCOCC(=O)OC(C)(C)C 7a_100000210238_100000183872 [0,2,0,0,0,0|2,0,0]=4 14393 B15R0.3232 CCCCOCCOCC(=O)OC(C)(C)C 7a_100010982675_100000210211 [0,2,0,0,0,0|2,0,0]=4 14394 B15R0.3232 CCCCOCCSCC(=O)OC(C)(C)C 62a_100000183872_100000743108 [0,2,0,0,0,0|2,0,0]=4 14395 B15R0.3232 CCCCOCCSCC(=O)OC(C)(C)C 62a_100000743108_100000183872 [0,2,0,0,0,0|2,0,0]=4 14396 B15R0.3232 CCCCOCOCCC(=O)OC(C)(C)C 34a_100011934494_100011995733 [0,2,0,0,0,0|2,0,0]=4 14397 B15R0.3232 CCCCOCSCCC(=O)OC(C)(C)C 62a_100009816755_100011995733 [0,2,0,0,0,0|2,0,0]=4 14398 B15R0.3232 CCCCOCSCCC(=O)OC(C)(C)C 62a_100011995733_100009816755 [0,2,0,0,0,0|2,0,0]=4 14399 B15R0.3232 CCCCSCCCCC(=O)OC(C)(C)C 62a_100000210211_100010889705 [0,2,0,0,0,0|1,0,0]=3 14400 B15R0.3232 CCCCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000210210 [0,2,0,0,0,0|1,0,0]=3 14401 B15R0.3232 CCCCSCCCNC(=O)OC(C)(C)C 62a_100000210211_100000725178 [0,2,0,0,0,0|2,0,0]=4 14402 B15R0.3232 CCCCSCCCNC(=O)OC(C)(C)C 62a_100000725178_100000210210 [0,2,0,0,0,0|2,0,0]=4 14403 B15R0.3232 CCCCSCCNCC(=O)OC(C)(C)C 2230a_100025743550_100000183872 [0,2,0,0,0,0|2,0,0]=4 14404 B15R0.3232 CCCCSCCOCC(=O)OC(C)(C)C 34a_200000230436_100000183872 [0,2,0,0,0,0|2,0,0]=4 14405 B15R0.3232 CCCCSCCOCC(=O)OC(C)(C)C 62a_100000210211_100011092059 [0,2,0,0,0,0|2,0,0]=4 14406 B15R0.3232 CCCCSCCOCC(=O)OC(C)(C)C 62a_100011092059_100000210210 [0,2,0,0,0,0|2,0,0]=4 14407 B15R0.3232 CCCCSCCOCC(=O)OC(C)(C)C 7a_200000230436_100000183872 [0,2,0,0,0,0|2,0,0]=4 14408 B15R0.3232 CCCOCCCCCC(=O)OC(C)(C)C 34a_100000097220_100000210303 [0,2,0,0,0,0|1,0,0]=3 14409 B15R0.3232 CCCOCCCCCC(=O)OC(C)(C)C 34a_100000210258_100010886488 [0,2,0,0,0,0|1,0,0]=3 14410 B15R0.3232 CCCOCCCCCC(=O)OC(C)(C)C 7a_100000097220_100000210303 [0,2,0,0,0,0|1,0,0]=3 14411 B15R0.3232 CCCOCCCCNC(=O)OC(C)(C)C 34a_100000210258_100011218622 [0,2,0,0,0,0|2,0,0]=4 14412 B15R0.3232 CCCOCCCCNC(=O)OC(C)(C)C 34a_100011218717_100000210303 [0,2,0,0,0,0|2,0,0]=4 14413 B15R0.3232 CCCOCCCCNC(=O)OC(C)(C)C 7a_100011218717_100000210303 [0,2,0,0,0,0|2,0,0]=4 14414 B15R0.3232 CCCOCCCNCC(=O)OC(C)(C)C 2230a_100011217757_100000183872 [0,2,0,0,0,0|2,0,0]=4 14415 B15R0.3232 CCCOCCCNCC(=O)OC(C)(C)C 34a_100011217757_100000183872 [0,2,0,0,0,0|2,0,0]=4 14416 B15R0.3232 CCCOCCNCCC(=O)OC(C)(C)C 2230a_100161115042_100009816755 [0,2,0,0,0,0|2,0,0]=4 14417 B15R0.3232 CCCOCCNCCC(=O)OC(C)(C)C 34a_100161115042_100009816755 [0,2,0,0,0,0|2,0,0]=4 14418 B15R0.3232 CCCOCCOCCC(=O)OC(C)(C)C 34a_100000210258_100010730554 [0,2,0,0,0,0|2,0,0]=4 14419 B15R0.3232 CCCOCCOCCC(=O)OC(C)(C)C 34a_100000752267_100009816755 [0,2,0,0,0,0|2,0,0]=4 14420 B15R0.3232 CCCOCCOCCC(=O)OC(C)(C)C 34a_100010341235_100000210303 [0,2,0,0,0,0|2,0,0]=4 14421 B15R0.3232 CCCOCCOCCC(=O)OC(C)(C)C 34a_100011934494_100011215938 [0,2,0,0,0,0|2,0,0]=4 14422 B15R0.3232 CCCOCCOCCC(=O)OC(C)(C)C 7a_100000752267_100009816755 [0,2,0,0,0,0|2,0,0]=4 14423 B15R0.3232 CCCOCCOCCC(=O)OC(C)(C)C 7a_100010341235_100000210303 [0,2,0,0,0,0|2,0,0]=4 14424 B15R0.3232 CCCOCCOCCC(=O)OC(C)(C)C 7a_100011934494_100011215938 [0,2,0,0,0,0|2,0,0]=4 14425 B15R0.3232 CCCOCCSCCC(=O)OC(C)(C)C 62a_100009816755_100011215938 [0,2,0,0,0,0|2,0,0]=4 14426 B15R0.3232 CCCOCCSCCC(=O)OC(C)(C)C 62a_100011215938_100009816755 [0,2,0,0,0,0|2,0,0]=4 14427 B15R0.3232 CCCSCCCCCC(=O)OC(C)(C)C 62a_100000210303_100010886488 [0,2,0,0,0,0|1,0,0]=3 14428 B15R0.3232 CCCSCCCCCC(=O)OC(C)(C)C 62a_100010886488_100000210303 [0,2,0,0,0,0|1,0,0]=3 14429 B15R0.3232 CCCSCCCCNC(=O)OC(C)(C)C 62a_100000210303_100011218622 [0,2,0,0,0,0|2,0,0]=4 14430 B15R0.3232 CCCSCCCCNC(=O)OC(C)(C)C 62a_100011218622_100000210303 [0,2,0,0,0,0|2,0,0]=4 14431 B15R0.3232 CCCSCCNCCC(=O)OC(C)(C)C 2230a_100020603323_100009816755 [0,2,0,0,0,0|2,0,0]=4 14432 B15R0.3232 CCCSCCOCCC(=O)OC(C)(C)C 34a_200000230433_100009816755 [0,2,0,0,0,0|2,0,0]=4 14433 B15R0.3232 CCCSCCOCCC(=O)OC(C)(C)C 62a_100000210303_100161106493 [0,2,0,0,0,0|2,0,0]=4 14434 B15R0.3232 CCCSCCOCCC(=O)OC(C)(C)C 62a_100161106493_100000210303 [0,2,0,0,0,0|2,0,0]=4 14435 B15R0.3232 CCCSCCOCCC(=O)OC(C)(C)C 7a_200000230433_100009816755 [0,2,0,0,0,0|2,0,0]=4 14436 B15R0.3232 CCNCCCCCCC(=O)OC(C)(C)C 2230a_100015525214_100010989376 [0,2,0,0,0,0|1,0,0]=3 14437 B15R0.3232 CCNCCCCCNC(=O)OC(C)(C)C 2230a_100015525214_100012340521 [0,2,0,0,0,0|2,0,0]=4 14438 B15R0.3232 CCOCCCCCCC(=O)OC(C)(C)C 34a_100048648013_100000210202 [0,2,0,0,0,0|1,0,0]=3 14439 B15R0.3232 CCOCCCCCCC(=O)OC(C)(C)C 34a_100121572206_100010989376 [0,2,0,0,0,0|1,0,0]=3 14440 B15R0.3232 CCOCCCCCCC(=O)OC(C)(C)C 7a_100048648013_100000210202 [0,2,0,0,0,0|1,0,0]=3 14441 B15R0.3232 CCOCCCCCNC(=O)OC(C)(C)C 34a_100011218812_100000210202 [0,2,0,0,0,0|2,0,0]=4 14442 B15R0.3232 CCOCCCCCNC(=O)OC(C)(C)C 34a_100121572206_100012340521 [0,2,0,0,0,0|2,0,0]=4 14443 B15R0.3232 CCOCCCCCNC(=O)OC(C)(C)C 7a_100011218812_100000210202 [0,2,0,0,0,0|2,0,0]=4 14444 B15R0.3232 CCOCCCNCCC(=O)OC(C)(C)C 2230a_100000210961_100009816755 [0,2,0,0,0,0|2,0,0]=4 14445 B15R0.3232 CCOCCCNCCC(=O)OC(C)(C)C 34a_100000210961_100009816755 [0,2,0,0,0,0|2,0,0]=4 14446 B15R0.3232 CCOCCCOCCC(=O)OC(C)(C)C 34a_100000757476_100009816755 [0,2,0,0,0,0|2,0,0]=4 14447 B15R0.3232 CCOCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100012232248 [0,2,0,0,0,0|2,0,0]=4 14448 B15R0.3232 CCOCCCOCCC(=O)OC(C)(C)C 34a_100134710649_100000210202 [0,2,0,0,0,0|2,0,0]=4 14449 B15R0.3232 CCOCCCOCCC(=O)OC(C)(C)C 7a_100000757476_100009816755 [0,2,0,0,0,0|2,0,0]=4 14450 B15R0.3232 CCOCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100012232248 [0,2,0,0,0,0|2,0,0]=4 14451 B15R0.3232 CCOCCCOCCC(=O)OC(C)(C)C 7a_100134710649_100000210202 [0,2,0,0,0,0|2,0,0]=4 14452 B15R0.3232 CCOCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100012232248 [0,2,0,0,0,0|2,0,0]=4 14453 B15R0.3232 CCOCCCSCCC(=O)OC(C)(C)C 62a_100012232248_100009816755 [0,2,0,0,0,0|2,0,0]=4 14454 B15R0.3232 CCOCCNCCCC(=O)OC(C)(C)C 2230a_102516460346_100000708543 [0,2,0,0,0,0|2,0,0]=4 14455 B15R0.3232 CCOCCNCCCC(=O)OC(C)(C)C 34a_102516460346_100000708543 [0,2,0,0,0,0|2,0,0]=4 14456 B15R0.3232 CCOCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000210147 [0,2,0,0,0,0|2,0,0]=4 14457 B15R0.3232 CCOCCOCCCC(=O)OC(C)(C)C 34a_100000210136_100000708543 [0,2,0,0,0,0|2,0,0]=4 14458 B15R0.3232 CCOCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100011215890 [0,2,0,0,0,0|2,0,0]=4 14459 B15R0.3232 CCOCCOCCCC(=O)OC(C)(C)C 7a_100000210136_100000708543 [0,2,0,0,0,0|2,0,0]=4 14460 B15R0.3232 CCOCCSCCCC(=O)OC(C)(C)C 62a_100000210147_100000708543 [0,2,0,0,0,0|2,0,0]=4 14461 B15R0.3232 CCOCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100011215890 [0,2,0,0,0,0|2,0,0]=4 14462 B15R0.3232 CCOCSCCCCC(=O)OC(C)(C)C 62a_100000739092_100010889705 [0,2,0,0,0,0|2,0,0]=4 14463 B15R0.3232 CCOCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000739092 [0,2,0,0,0,0|2,0,0]=4 14464 B15R0.3232 CCSCCCCCCC(=O)OC(C)(C)C 62a_100000210202_100010989376 [0,2,0,0,0,0|1,0,0]=3 14465 B15R0.3232 CCSCCCCCCC(=O)OC(C)(C)C 62a_100010989376_100000210202 [0,2,0,0,0,0|1,0,0]=3 14466 B15R0.3232 CCSCCCCCNC(=O)OC(C)(C)C 62a_100000210202_100012340521 [0,2,0,0,0,0|2,0,0]=4 14467 B15R0.3232 CCSCCCCCNC(=O)OC(C)(C)C 62a_100012340521_100000210202 [0,2,0,0,0,0|2,0,0]=4 14468 B15R0.3232 CCSCCCOCCC(=O)OC(C)(C)C 34a_100011216438_100009816755 [0,2,0,0,0,0|2,0,0]=4 14469 B15R0.3232 CCSCCCOCCC(=O)OC(C)(C)C 7a_100011216438_100009816755 [0,2,0,0,0,0|2,0,0]=4 14470 B15R0.3232 CCSCCNCCCC(=O)OC(C)(C)C 2230a_100000106463_100000708543 [0,2,0,0,0,0|2,0,0]=4 14471 B15R0.3232 CCSCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000757381 [0,2,0,0,0,0|2,0,0]=4 14472 B15R0.3232 CCSCCOCCCC(=O)OC(C)(C)C 34a_100000212035_100000708543 [0,2,0,0,0,0|2,0,0]=4 14473 B15R0.3232 CCSCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000757381 [0,2,0,0,0,0|2,0,0]=4 14474 B15R0.3232 CCSCCOCCCC(=O)OC(C)(C)C 7a_100000212035_100000708543 [0,2,0,0,0,0|2,0,0]=4 14475 B15R0.3232 CCSCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000757381 [0,2,0,0,0,0|2,0,0]=4 14476 B15R0.3232 CCSCCSCCCC(=O)OC(C)(C)C 62a_100000757381_100000708543 [0,2,0,0,0,0|2,0,0]=4 14477 B15R0.3232 CNCCCCCCCC(=O)OC(C)(C)C 2230a_106832991635_100010978495 [0,2,0,0,0,0|1,0,0]=3 14478 B15R0.3232 CNCCCCCCCC(=O)OC(C)(C)C 34a_100102657272_100010978495 [0,2,0,0,0,0|1,0,0]=3 14479 B15R0.3232 CNCCCCCCCC(=O)OC(C)(C)C 7a_106832991635_100010978495 [0,2,0,0,0,0|1,0,0]=3 14480 B15R0.3232 CNCCCCCCNC(=O)OC(C)(C)C 2230a_106832991635_100000734191 [0,2,0,0,0,0|2,0,0]=4 14481 B15R0.3232 CNCCCCCCNC(=O)OC(C)(C)C 34a_100102657272_100000734191 [0,2,0,0,0,0|2,0,0]=4 14482 B15R0.3232 CNCCCCCCNC(=O)OC(C)(C)C 7a_106832991635_100000734191 [0,2,0,0,0,0|2,0,0]=4 14483 B15R0.3232 CNCCCCCOCC(=O)OC(C)(C)C 34a_100000722520_100000183872 [0,2,0,0,0,0|2,0,0]=4 14484 B15R0.3232 CNCCCOCCCC(=O)OC(C)(C)C 34a_100000213112_100000708543 [0,2,0,0,0,0|2,0,0]=4 14485 B15R0.3232 COCCCCCCCC(=O)OC(C)(C)C 34a_100032214103_200000210301 [0,2,0,0,0,0|1,0,0]=3 14486 B15R0.3232 COCCCCCCCC(=O)OC(C)(C)C 34a_100138415774_100010978495 [0,2,0,0,0,0|1,0,0]=3 14487 B15R0.3232 COCCCCCCCC(=O)OC(C)(C)C 7a_100032214103_200000210301 [0,2,0,0,0,0|1,0,0]=3 14488 B15R0.3232 COCCCCCCNC(=O)OC(C)(C)C 34a_100011215889_200000210301 [0,2,0,0,0,0|2,0,0]=4 14489 B15R0.3232 COCCCCCCNC(=O)OC(C)(C)C 34a_100138415774_100000734191 [0,2,0,0,0,0|2,0,0]=4 14490 B15R0.3232 COCCCCCCNC(=O)OC(C)(C)C 7a_100011215889_200000210301 [0,2,0,0,0,0|2,0,0]=4 14491 B15R0.3232 COCCCCCNCC(=O)OC(C)(C)C 2230a_100000747528_100000183872 [0,2,0,0,0,0|2,0,0]=4 14492 B15R0.3232 COCCCCCNCC(=O)OC(C)(C)C 34a_100000747528_100000183872 [0,2,0,0,0,0|2,0,0]=4 14493 B15R0.3232 COCCCCOCCC(=O)OC(C)(C)C 34a_100000740925_100009816755 [0,2,0,0,0,0|2,0,0]=4 14494 B15R0.3232 COCCCCOCCC(=O)OC(C)(C)C 34a_100011934494_100000755781 [0,2,0,0,0,0|2,0,0]=4 14495 B15R0.3232 COCCCCOCCC(=O)OC(C)(C)C 7a_100011934494_100000730899 [0,2,0,0,0,0|2,0,0]=4 14496 B15R0.3232 COCCCCSCCC(=O)OC(C)(C)C 62a_100000730899_100009816755 [0,2,0,0,0,0|2,0,0]=4 14497 B15R0.3232 COCCCCSCCC(=O)OC(C)(C)C 62a_100009816755_100000730899 [0,2,0,0,0,0|2,0,0]=4 14498 B15R0.3232 COCCCNCCCC(=O)OC(C)(C)C 34a_100150723488_100000708543 [0,2,0,0,0,0|2,0,0]=4 14499 B15R0.3232 COCCCOCCCC(=O)OC(C)(C)C 34a_100000067108_100000740836 [0,2,0,0,0,0|2,0,0]=4 14500 B15R0.3232 COCCCOCCCC(=O)OC(C)(C)C 34a_100000740835_100000708543 [0,2,0,0,0,0|2,0,0]=4 14501 B15R0.3232 COCCCOCCCC(=O)OC(C)(C)C 7a_100000067108_100000740836 [0,2,0,0,0,0|2,0,0]=4 14502 B15R0.3232 COCCCSCCCC(=O)OC(C)(C)C 62a_100000708543_100000709357 [0,2,0,0,0,0|2,0,0]=4 14503 B15R0.3232 COCCCSCCCC(=O)OC(C)(C)C 62a_100000709357_100000708543 [0,2,0,0,0,0|2,0,0]=4 14504 B15R0.3232 COCCNCCCCC(=O)OC(C)(C)C 2230a_100000209980_100010889705 [0,2,0,0,0,0|2,0,0]=4 14505 B15R0.3232 COCCOCCCCC(=O)OC(C)(C)C 34a_100000210237_100010889705 [0,2,0,0,0,0|2,0,0]=4 14506 B15R0.3232 COCCSCCCCC(=O)OC(C)(C)C 62a_100000233755_100010889705 [0,2,0,0,0,0|2,0,0]=4 14507 B15R0.3232 COCCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000233755 [0,2,0,0,0,0|2,0,0]=4 14508 B15R0.3232 COCSCCCCCC(=O)OC(C)(C)C 62a_100000766300_100010886488 [0,2,0,0,0,0|2,0,0]=4 14509 B15R0.3232 COCSCCCCCC(=O)OC(C)(C)C 62a_100010886488_100000766300 [0,2,0,0,0,0|2,0,0]=4 14510 B15R0.3232 CSCCCCCCCC(=O)OC(C)(C)C 62a_100010978495_200000210301 [0,2,0,0,0,0|1,0,0]=3 14511 B15R0.3232 CSCCCCCCCC(=O)OC(C)(C)C 62a_200000210301_100010978495 [0,2,0,0,0,0|1,0,0]=3 14512 B15R0.3232 CSCCCCCCNC(=O)OC(C)(C)C 62a_100000734191_200000210301 [0,2,0,0,0,0|2,0,0]=4 14513 B15R0.3232 CSCCCCCCNC(=O)OC(C)(C)C 62a_200000210301_100000734191 [0,2,0,0,0,0|2,0,0]=4 14514 B15R0.3232 CSCCCCOCCC(=O)OC(C)(C)C 34a_100011217163_100009816755 [0,2,0,0,0,0|2,0,0]=4 14515 B15R0.3232 CSCCCCOCCC(=O)OC(C)(C)C 7a_100011217163_100009816755 [0,2,0,0,0,0|2,0,0]=4 14516 B15R0.3232 CSCCCNCCCC(=O)OC(C)(C)C 2230a_100000749238_100000708543 [0,2,0,0,0,0|2,0,0]=4 14517 B15R0.3232 CSCCCOCCCC(=O)OC(C)(C)C 34a_100000690336_100000708543 [0,2,0,0,0,0|2,0,0]=4 14518 B15R0.3232 CSCCCOCCCC(=O)OC(C)(C)C 7a_100000690336_100000708543 [0,2,0,0,0,0|2,0,0]=4 14519 B15R0.3232 CSCCNCCCCC(=O)OC(C)(C)C 2230a_100020590264_100010889705 [0,2,0,0,0,0|2,0,0]=4 14520 B15R0.3232 CSCCOCCCCC(=O)OC(C)(C)C 34a_100000230434_100010889705 [0,2,0,0,0,0|2,0,0]=4 14521 B15R0.3232 CSCCOCCCCC(=O)OC(C)(C)C 7a_100000230434_100010889705 [0,2,0,0,0,0|2,0,0]=4 14522 B15R0.3232 CSCCSCCCCC(=O)OC(C)(C)C 62a_100000212216_100010889705 [0,2,0,0,0,0|2,0,0]=4 14523 B15R0.3232 CSCCSCCCCC(=O)OC(C)(C)C 62a_100010889705_100000751147 [0,2,0,0,0,0|2,0,0]=4 14524 B15R0.3232 CSCOCCCCCC(=O)OC(C)(C)C 34a_100000097220_100011218213 [0,2,0,0,0,0|2,0,0]=4 14525 B15R0.3232 CSCSCCCCCC(=O)OC(C)(C)C 62a_100010886488_100011218213 [0,2,0,0,0,0|2,0,0]=4 14526 B15R0.3232 CSCSCCCCCC(=O)OC(C)(C)C 62a_100011218213_100010886488 [0,2,0,0,0,0|2,0,0]=4 14527 B15R0.18 C#CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100010269958 [0,2,0,0,0,0|0,0,2]=4 14528 B15R0.18 C#CCCCCC(=O)CCCC(=O)OCC 1458a_100000696528_100011215271 [0,2,0,0,0,0|0,0,2]=4 14529 B15R0.18 C=CCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215482 [0,2,0,0,0,0|0,0,2]=4 14530 B15R0.18 C=CCCCCC(=O)CCCC(=O)OCC 1458a_100011215552_100011215271 [0,2,0,0,0,0|0,0,2]=4 14531 B15R0.18 C=CCCCCN(C)CCCC(=O)OCC 2230a_100012000471_100009991533 [0,2,0,0,0,0|0,0,2]=4 14532 B15R0.18 C=CCCCCN(C)CCCC(=O)OCC 269982a_100012000471_100009991533 [0,2,0,0,0,0|0,0,2]=4 14533 B15R0.18 CC/C=C\CCC(=O)CCCC(=O)OCC 1458a_100000210991_100015370543 [0,2,0,0,0,0|0,0,2]=4 14534 B15R0.18 CCC/C=C/CC(=O)CCCC(=O)OCC 1458a_200016266809_100011215271 [0,2,0,0,0,0|0,0,2]=4 14535 B15R0.18 CCCCC=CC(=O)CCCC(=O)OCC 1458a_100016266645_100011215271 [0,2,0,0,0,0|0,0,2]=4 14536 B15R0.18 CCCCCCC(=O)CCCC(=O)NCC 1458a_100000199580_100000210757 [0,2,0,0,0,0|1,0,0]=3 14537 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100000210757 [0,2,0,0,0,0|0,0,0]=2 14538 B15R0.18 CCCCCCC(=O)CCCC(=O)OCC 1458a_100102632555_100011215271 [0,2,0,0,0,0|0,0,0]=2 14539 B15R0.18 CCCCCCC(=O)CCNC(=O)OCC 1458a_100102632555_200011445536 [0,2,0,0,0,0|0,0,1]=3 14540 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 11a_100025743525_100102632555 [0,2,0,0,0,0|1,0,1]=4 14541 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 1626a_100025743525_100102632555 [0,2,0,0,0,0|1,0,1]=4 14542 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 240690a_100025743525_100102632555 [0,2,0,0,0,0|1,0,1]=4 14543 B15R0.18 CCCCCCC(=O)NCCC(=O)NCC 527a_100025743525_100102632555 [0,2,0,0,0,0|1,0,1]=4 14544 B15R0.18 CCCCCCC(=O)NCCC(=O)OCC 188690a_100000746078_100102632555 [0,2,0,0,0,0|0,0,1]=3 14545 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 2230a_100000210919_100000737597 [0,2,0,0,0,0|1,0,0]=3 14546 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 270004a_100025743525_100000210826 [0,2,0,0,0,0|1,0,0]=3 14547 B15R0.18 CCCCCCC(C)NCCC(=O)NCC 34a_100025743525_100011215978 [0,2,0,0,0,0|1,0,0]=3 14548 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 2230a_100000210919_100011206558 [0,2,0,0,0,0|0,0,0]=2 14549 B15R0.18 CCCCCCC(C)NCCC(=O)OCC 34a_100000210919_100000765890 [0,2,0,0,0,0|0,0,0]=2 14550 B15R0.18 CCCCCCC(C)NCOC(=O)CCC 2230a_100000210919_100000034017 [0,2,0,0,0,0|2,0,0]=4 14551 B15R0.18 CCCCCCC(C)NCOC(=O)CCC 34a_100000210919_100000034017 [0,2,0,0,0,0|2,0,0]=4 14552 B15R0.18 CCCCCCC(C)OCCC(=O)NCC 7a_100000210265_100000737597 [0,2,0,0,0,0|1,0,0]=3 14553 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 34a_100000210265_100000765890 [0,2,0,0,0,0|0,0,0]=2 14554 B15R0.18 CCCCCCC(C)OCCC(=O)OCC 7a_100000210265_100011206558 [0,2,0,0,0,0|0,0,0]=2 14555 B15R0.18 CCCCCCC(C)OCOC(=O)CCC 34a_100000210265_100000034017 [0,2,0,0,0,0|2,0,0]=4 14556 B15R0.18 CCCCCCC(C)SCCC(=O)NCC 62a_100000737597_100011215978 [0,2,0,0,0,0|1,0,0]=3 14557 B15R0.18 CCCCCCC(C)SCCC(=O)NCC 62a_100011215978_100000737597 [0,2,0,0,0,0|1,0,0]=3 14558 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100000765890_100011215978 [0,2,0,0,0,0|0,0,0]=2 14559 B15R0.18 CCCCCCC(C)SCCC(=O)OCC 62a_100011215978_100000765890 [0,2,0,0,0,0|0,0,0]=2 14560 B15R0.18 CCCCCCC(C)SCOC(=O)CCC 62a_100011215978_100000034017 [0,2,0,0,0,0|2,0,0]=4 14561 B15R0.18 CCCCCCC(C)SCOC(=O)OCC 62a_100011215978_100000075025 [0,2,0,0,0,0|1,0,0]=3 14562 B15R0.18 CCCCCCN(C)C/C=C/C(=O)OCC 2230a_106256046315_100016267167 [0,2,0,0,0,0|0,0,2]=4 14563 B15R0.18 CCCCCCN(C)C/C=C/C(=O)OCC 269982a_106256046315_100016267167 [0,2,0,0,0,0|0,0,2]=4 14564 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 2230a_106256046315_100009991533 [0,2,0,0,0,0|0,0,0]=2 14565 B15R0.18 CCCCCCN(C)CCCC(=O)OCC 269982a_106256046315_100009991533 [0,2,0,0,0,0|0,0,0]=2 14566 B15R0.18 CCCCCCN(C)CCNC(=O)OCC 269982a_106256046315_200011445536 [0,2,0,0,0,0|1,0,0]=3 14567 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 11a_100000209983_100000199580 [0,2,0,0,0,0|1,0,1]=4 14568 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 1626a_100000209983_100000199580 [0,2,0,0,0,0|1,0,1]=4 14569 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 240690a_100000209983_100000199580 [0,2,0,0,0,0|1,0,1]=4 14570 B15R0.18 CCCCCNC(=O)CCCC(=O)NCC 527a_100000209983_100000199580 [0,2,0,0,0,0|1,0,1]=4 14571 B15R0.18 CCCCCNC(=O)CCCC(=O)OCC 11a_100000209983_100000210991 [0,2,0,0,0,0|0,0,1]=3 14572 B15R0.18 CCCCCNC(=O)CCCC(=O)OCC 1626a_100000209983_100000210991 [0,2,0,0,0,0|0,0,1]=3 14573 B15R0.18 CCCCCNC(=O)CCCC(=O)OCC 240690a_100000209983_100000210991 [0,2,0,0,0,0|0,0,1]=3 14574 B15R0.18 CCCCCNC(=O)CCCC(=O)OCC 527a_100000209983_100000210991 [0,2,0,0,0,0|0,0,1]=3 14575 B15R0.18 CCCCCNC(=O)CSCC(=O)OCC 62a_100000188475_100000230301 [0,2,0,0,0,0|1,0,1]=4 14576 B15R0.18 CCCCCNC(=O)CSCC(=O)OCC 62a_100000230301_100000188475 [0,2,0,0,0,0|1,0,1]=4 14577 B15R0.18 CCCCNN=C(C)CCCC(=O)OCC 4a_100025702795_100000032325 [0,2,0,0,0,0|1,0,1]=4 14578 B15R0.18 CCCCNNC(=O)CCCC(=O)OCC 22a_100025702795_100000210991 [0,2,0,0,0,0|1,0,1]=4 14579 B15R0.18 CCCCOCC(=O)CCCC(=O)NCC 1458a_100000199580_100011995733 [0,2,0,0,0,0|1,0,1]=4 14580 B15R0.18 CCCCOCC(=O)CCCC(=O)OCC 1458a_100000210991_100011995733 [0,2,0,0,0,0|0,0,1]=3 14581 B15R0.18 CCCCOCC(=O)CCCC(=O)OCC 1458a_100000757543_100011215271 [0,2,0,0,0,0|0,0,1]=3 14582 B15R0.18 CCCCOCC(=O)CCNC(=O)OCC 1458a_100000757543_200011445536 [0,2,0,0,0,0|1,0,1]=4 14583 B15R0.18 CCCCOCC(=O)NCCC(=O)OCC 188690a_100000746078_100000757543 [0,2,0,0,0,0|1,0,1]=4 14584 B15R0.18 CCCCOCC(C)OCCC(=O)NCC 7a_100011217071_100000737597 [0,2,0,0,0,0|2,0,0]=4 14585 B15R0.18 CCCCOCC(C)OCCC(=O)OCC 34a_100011217071_100000765890 [0,2,0,0,0,0|1,0,0]=3 14586 B15R0.18 CCCCOCC(C)OCCC(=O)OCC 7a_100011217071_100011206558 [0,2,0,0,0,0|1,0,0]=3 14587 B15R0.18 CCCCSCC(=O)CCCC(=O)OCC 1458a_100000191162_100011215271 [0,2,0,0,0,0|0,0,1]=3 14588 B15R0.18 CCCCSCC(=O)CCNC(=O)OCC 1458a_100000191162_200011445536 [0,2,0,0,0,0|1,0,1]=4 14589 B15R0.18 CCCCSCC(=O)NCCC(=O)OCC 188690a_100000746078_100000191162 [0,2,0,0,0,0|1,0,1]=4 14590 B15R0.18 CCCOCCC(=O)CCCC(=O)NCC 1458a_100000199580_100011215938 [0,2,0,0,0,0|1,0,1]=4 14591 B15R0.18 CCCOCCC(=O)CCCC(=O)OCC 1458a_100000210991_100011215938 [0,2,0,0,0,0|0,0,1]=3 14592 B15R0.18 CCNC(=O)CCCC(=O)CCCCCF 1458a_100000199580_100000729378 [0,2,0,0,0,0|1,0,1]=4 14593 B15R0.18 CCNC(=O)CCCC(=O)CCCCCO 1458a_100000199580_100000746330 [0,2,0,0,0,0|1,0,1]=4 14594 B15R0.18 CCNC(=O)CCCC(=O)CCCCOC 1458a_100000199580_100000755781 [0,2,0,0,0,0|1,0,1]=4 14595 B15R0.18 CCNC(=O)CCCC(=O)CCCOCC 1458a_100000199580_100012232248 [0,2,0,0,0,0|1,0,1]=4 14596 B15R0.18 CCOC(=O)CCCC(=O)CCCCC#N 1458a_100000210991_100000211819 [0,2,0,0,0,0|0,0,2]=4 14597 B15R0.18 CCOC(=O)CCCC(=O)CCCCCF 1458a_100000210991_100000729378 [0,2,0,0,0,0|0,0,1]=3 14598 B15R0.18 CCOC(=O)CCCC(=O)CCCCCO 1458a_100000210991_100000746330 [0,2,0,0,0,0|0,0,1]=3 14599 B15R0.18 CCOC(=O)CCCC(=O)CCCCCO 1458a_100102619762_100011215271 [0,2,0,0,0,0|0,0,1]=3 14600 B15R0.18 CCOC(=O)CCCC(=O)CCCCOC 1458a_100000210991_100000755781 [0,2,0,0,0,0|0,0,1]=3 14601 B15R0.18 CCOC(=O)CCCC(=O)CCOCCO 1458a_100000210991_100011215305 [0,2,0,0,0,0|1,0,1]=4 14602 B15R0.18 CCOC(=O)CCCC(=O)CCOCCO 1458a_100011229844_100011215271 [0,2,0,0,0,0|1,0,1]=4 14603 B15R0.18 CCOC(=O)CCCC(=O)COCCOC 1458a_100000211095_100011215271 [0,2,0,0,0,0|1,0,1]=4 14604 B15R0.18 CCOC(=O)CCCC(=O)NCCCCO 240690a_100000750430_100000210991 [0,2,0,0,0,0|1,0,1]=4 14605 B15R0.18 CCOC(=O)CCCC(=O)NCCCCO 527a_100000750430_100000210991 [0,2,0,0,0,0|1,0,1]=4 14606 B15R0.18 CCOC(=O)CCCC(=O)NCCCOC 1626a_100150723488_100000210991 [0,2,0,0,0,0|1,0,1]=4 14607 B15R0.18 CCOC(=O)CCCC(=O)NCCCOC 240690a_100150723488_100000210991 [0,2,0,0,0,0|1,0,1]=4 14608 B15R0.18 CCOC(=O)CCCC(=O)NCCCOC 527a_100150723488_100000210991 [0,2,0,0,0,0|1,0,1]=4 14609 B15R0.18 CCOC(=O)CCCC(=O)NCCCSC 11a_100000749238_100000210991 [0,2,0,0,0,0|1,0,1]=4 14610 B15R0.18 CCOC(=O)CCCC(=O)NCCCSC 1626a_100000749238_100000210991 [0,2,0,0,0,0|1,0,1]=4 14611 B15R0.18 CCOC(=O)CCCC(=O)NCCCSC 240690a_100000749238_100000210991 [0,2,0,0,0,0|1,0,1]=4 14612 B15R0.18 CCOC(=O)CCCC(=O)NCCCSC 527a_100000749238_100000210991 [0,2,0,0,0,0|1,0,1]=4 14613 B15R0.18 CCOC(=O)CCCC(=O)NCCSCC 11a_100000106463_100000210991 [0,2,0,0,0,0|1,0,1]=4 14614 B15R0.18 CCOC(=O)CCCC(=O)NCCSCC 1626a_100000106463_100000210991 [0,2,0,0,0,0|1,0,1]=4 14615 B15R0.18 CCOC(=O)CCCC(=O)NCCSCC 240690a_100000106463_100000210991 [0,2,0,0,0,0|1,0,1]=4 14616 B15R0.18 CCOC(=O)CCCC(=O)NCCSCC 527a_100000106463_100000210991 [0,2,0,0,0,0|1,0,1]=4 14617 B15R0.18 CCOC(=O)CCCN(C)CCCCCO 2230a_100000722520_100009991533 [0,2,0,0,0,0|1,0,0]=3 14618 B15R0.18 CCOC(=O)CCCN(C)CCCCCO 269982a_100000722520_100009991533 [0,2,0,0,0,0|1,0,0]=3 14619 B15R0.18 CCOC(=O)CCCN(C)CCOCCO 2230a_100000228057_100009991533 [0,2,0,0,0,0|2,0,0]=4 14620 B15R0.18 CCOC(=O)CCCN(C)CCOCCO 269982a_100000228057_100009991533 [0,2,0,0,0,0|2,0,0]=4 14621 B15R0.18 CCOC(=O)CCNC(=O)CCCCCO 188690a_100000746078_100102619762 [0,2,0,0,0,0|1,0,1]=4 14622 B15R0.18 CCOC(=O)NCCC(=O)CCCCCO 1458a_100102619762_200011445536 [0,2,0,0,0,0|1,0,1]=4 14623 B15R0.18 CCOC(=O)NCCN(C)CCCCCO 269982a_100000722520_200011445536 [0,2,0,0,0,0|2,0,0]=4 14624 B15R0.18 CCOCCCC(=O)CCCC(=O)OCC 1458a_100000210991_100012232248 [0,2,0,0,0,0|0,0,1]=3 14625 B15R0.18 CCOCCNC(=O)CCCC(=O)OCC 11a_100011200944_100000210991 [0,2,0,0,0,0|1,0,1]=4 14626 B15R0.18 CCOCCNC(=O)CCCC(=O)OCC 1626a_102516460346_100000210991 [0,2,0,0,0,0|1,0,1]=4 14627 B15R0.18 CCOCCNC(=O)CCCC(=O)OCC 240690a_100011200944_100000210991 [0,2,0,0,0,0|1,0,1]=4 14628 B15R0.18 CCOCCNC(=O)CCCC(=O)OCC 527a_100011200944_100000210991 [0,2,0,0,0,0|1,0,1]=4 14629 B15R0.111 C=C(Br)CCOCCCCCC(=O)OCC 34a_100009813270_100000755133 [0,2,0,0,0,0|0,0,2]=4 14630 B15R0.111 C=C(C)CCOCCCCCC(=O)OCC 34a_100000764851_100000755133 [0,2,0,0,0,0|0,0,1]=3 14631 B15R0.111 C=C(C)CCOCCCCCC(=O)OCC 7a_100011214988_100000730704 [0,2,0,0,0,0|0,0,1]=3 14632 B15R0.111 C=C(C)CCOCCCOCC(=O)OCC 34a_100000764851_100009893628 [0,2,0,0,0,0|1,0,1]=4 14633 B15R0.111 C=C(C)CCSCCCCCC(=O)OCC 62a_100000730704_100000755133 [0,2,0,0,0,0|0,0,1]=3 14634 B15R0.111 C=C(C)CCSCCCCCC(=O)OCC 62a_100000755133_100000730704 [0,2,0,0,0,0|0,0,1]=3 14635 B15R0.111 C=C(C)CCSCCCOCC(=O)OCC 62a_100000730704_100009893628 [0,2,0,0,0,0|1,0,1]=4 14636 B15R0.111 C=C(C)CCSCCCOCC(=O)OCC 62a_100009893628_100000730704 [0,2,0,0,0,0|1,0,1]=4 14637 B15R0.111 C=C(C)COCCCCCCC(=O)OCC 34a_100000210245_100009814379 [0,2,0,0,0,0|0,0,1]=3 14638 B15R0.111 C=C(C)CSCCCCCCC(=O)OCC 62a_100000748629_100009814379 [0,2,0,0,0,0|0,0,1]=3 14639 B15R0.111 C=C(F)COCCCCCCC(=O)OCC 34a_200010262243_100009814379 [0,2,0,0,0,0|0,0,2]=4 14640 B15R0.111 C=C(F)CSCCCCCCC(=O)OCC 62a_100000042424_100009814379 [0,2,0,0,0,0|0,0,2]=4 14641 B15R0.111 C=COC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000036128 [0,2,0,0,0,0|0,0,2]=4 14642 B15R0.111 C=COC(=O)CNCCCCCCC(C)C 34a_100000211014_100000036128 [0,2,0,0,0,0|0,0,2]=4 14643 B15R0.111 CC(C)CCCCCCNCC(=O)NCO 2230a_100000211014_100000185155 [0,2,0,0,0,0|2,0,0]=4 14644 B15R0.111 CC(C)CCCCCCNCC(=O)NCO 34a_100000211014_100000185155 [0,2,0,0,0,0|2,0,0]=4 14645 B15R0.111 CCCC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000747444 [0,2,0,0,0,0|1,0,0]=3 14646 B15R0.111 CCCC(=O)OCNCCCCCC(C)C 2230a_100011290863_100000034017 [0,2,0,0,0,0|2,0,0]=4 14647 B15R0.111 CCCC(=O)OCNCCCCCC(C)C 34a_100011290863_100000034017 [0,2,0,0,0,0|2,0,0]=4 14648 B15R0.111 CCCC(=O)OCOCCCCCC(C)C 34a_100011995859_100000034017 [0,2,0,0,0,0|2,0,0]=4 14649 B15R0.111 CCCC(=O)OCSCCCCCC(C)C 62a_100000210682_100000034017 [0,2,0,0,0,0|2,0,0]=4 14650 B15R0.111 CCNC(=O)CCNCCCCCC(C)C 2230a_100011290863_100000737597 [0,2,0,0,0,0|1,0,0]=3 14651 B15R0.111 CCNC(=O)CCNCCCCCC(C)C 34a_100025743525_100000210682 [0,2,0,0,0,0|1,0,0]=3 14652 B15R0.111 CCNC(=O)CCNCCCOCC(C)C 2230a_100000205972_100000737597 [0,2,0,0,0,0|2,0,0]=4 14653 B15R0.111 CCNC(=O)CCOCCCCCC(C)C 7a_100011995859_100000737597 [0,2,0,0,0,0|1,0,0]=3 14654 B15R0.111 CCNC(=O)CCSCCCCCC(C)C 62a_100000210682_100000737597 [0,2,0,0,0,0|1,0,0]=3 14655 B15R0.111 CCNC(=O)CCSCCCCCC(C)C 62a_100000737597_100000210682 [0,2,0,0,0,0|1,0,0]=3 14656 B15R0.111 CCNC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000183381 [0,2,0,0,0,0|1,0,0]=3 14657 B15R0.111 CCNC(=O)CNCCCCCCC(C)C 34a_100000211014_100000183381 [0,2,0,0,0,0|1,0,0]=3 14658 B15R0.111 CCNC(=O)COCCCCCNC(C)C 34a_100011629493_100000183381 [0,2,0,0,0,0|2,0,0]=4 14659 B15R0.111 CCOC(=O)/C=C/COCCCCC(C)C 34a_100011214890_100016267167 [0,2,0,0,0,0|0,0,2]=4 14660 B15R0.111 CCOC(=O)/C=C/COCCCCC(C)C 7a_100011214890_100016267167 [0,2,0,0,0,0|0,0,2]=4 14661 B15R0.111 CCOC(=O)/C=C/CSCCCCC(C)C 62a_100011216152_100016267167 [0,2,0,0,0,0|0,0,2]=4 14662 B15R0.111 CCOC(=O)/C=C/CSCCCCC(C)C 62a_100016267167_100011216152 [0,2,0,0,0,0|0,0,2]=4 14663 B15R0.111 CCOC(=O)CCCCC=NNCC(C)O 4a_200000730056_100012182868 [0,2,0,0,0,0|1,0,1]=4 14664 B15R0.111 CCOC(=O)CCCCCC=NNC(C)C 4a_100000741168_100000085164 [0,2,0,0,0,0|1,0,1]=4 14665 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_100000070787_100010175975 [0,2,0,0,0,0|0,0,0]=2 14666 B15R0.111 CCOC(=O)CCCCCCCCC(=O)C 1458a_200000016031_200000210301 [0,2,0,0,0,0|0,0,0]=2 14667 B15R0.111 CCOC(=O)CCCCCCCCC(=O)[13CH3] 1458a_200000016031_200025704644 [0,2,0,0,0,0|0,0,0]=2 14668 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 2230a_100102631434_100010175975 [0,2,0,0,0,0|0,0,0]=2 14669 B15R0.111 CCOC(=O)CCCCCCCCN(C)C 269982a_100102631434_100010175975 [0,2,0,0,0,0|0,0,0]=2 14670 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 2230a_100138425928_100009991516 [0,2,0,0,0,0|0,0,0]=2 14671 B15R0.111 CCOC(=O)CCCCCCCNC(C)C 34a_100138425928_100009991516 [0,2,0,0,0,0|0,0,0]=2 14672 B15R0.111 CCOC(=O)CCCCCCCOC(C)C 34a_100000212225_100009991516 [0,2,0,0,0,0|0,0,0]=2 14673 B15R0.111 CCOC(=O)CCCCCCCSC(C)C 62a_100000210206_100009991516 [0,2,0,0,0,0|0,0,0]=2 14674 B15R0.111 CCOC(=O)CCCCCCNCC(=O)N 2230a_100000711301_100009814379 [0,2,0,0,0,0|1,0,1]=4 14675 B15R0.111 CCOC(=O)CCCCCCNCC(=O)O 269956a_100016091260_100009814379 [0,2,0,0,0,0|1,0,1]=4 14676 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 2230a_100000210953_100009814379 [0,2,0,0,0,0|0,0,0]=2 14677 B15R0.111 CCOC(=O)CCCCCCNCC(C)C 34a_100000210953_100009814379 [0,2,0,0,0,0|0,0,0]=2 14678 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 2230a_100000210904_100009814379 [0,2,0,0,0,0|0,0,0]=2 14679 B15R0.111 CCOC(=O)CCCCCCNCC(C)O 34a_100000210904_100009814379 [0,2,0,0,0,0|0,0,0]=2 14680 B15R0.111 CCOC(=O)CCCCCCNCC(F)F 34a_100000765723_100009814379 [0,2,0,0,0,0|1,0,0]=3 14681 B15R0.111 CCOC(=O)CCCCCCOCC(=O)C 34a_100000211253_100009814379 [0,2,0,0,0,0|0,0,1]=3 14682 B15R0.111 CCOC(=O)CCCCCCOCC(C)Br 34a_100012180447_100009814379 [0,2,0,0,0,0|0,0,0]=2 14683 B15R0.111 CCOC(=O)CCCCCCOCC(C)C 34a_100000210257_100009814379 [0,2,0,0,0,0|0,0,0]=2 14684 B15R0.111 CCOC(=O)CCCCCCOCC(C)F 34a_100015925927_100009814379 [0,2,0,0,0,0|0,0,0]=2 14685 B15R0.111 CCOC(=O)CCCCCCOCC(F)F 34a_100000743014_100009814379 [0,2,0,0,0,0|1,0,0]=3 14686 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)Cl 34a_100016084084_100009814379 [0,2,0,0,0,0|0,0,0]=2 14687 B15R0.111 CCOC(=O)CCCCCCOC[C@@H](C)N 34a_100000737577_100009814379 [0,2,0,0,0,0|0,0,0]=2 14688 B15R0.111 CCOC(=O)CCCCCCSCC(=O)N 62a_100000747473_100009814379 [0,2,0,0,0,0|1,0,1]=4 14689 B15R0.111 CCOC(=O)CCCCCCSCC(=O)[O-] 62a_100020667443_100009814379 [0,2,0,0,0,0|1,0,1]=4 14690 B15R0.111 CCOC(=O)CCCCCCSCC(C)C 62a_100000210624_100009814379 [0,2,0,0,0,0|0,0,0]=2 14691 B15R0.111 CCOC(=O)CCCCCCSCC(C)O 62a_100011218427_100009814379 [0,2,0,0,0,0|0,0,0]=2 14692 B15R0.111 CCOC(=O)CCCCCCSCC(F)F 62a_100011934356_100009814379 [0,2,0,0,0,0|1,0,0]=3 14693 B15R0.111 CCOC(=O)CCCCCCSC[C@@H](C)O 62a_100009817552_100009814379 [0,2,0,0,0,0|0,0,0]=2 14694 B15R0.111 CCOC(=O)CCCCCNCC=C(C)C 34a_100000718196_100000755133 [0,2,0,0,0,0|0,0,2]=4 14695 B15R0.111 CCOC(=O)CCCCCNCCC(C)O 2230a_200000755665_100000755133 [0,2,0,0,0,0|0,0,0]=2 14696 B15R0.111 CCOC(=O)CCCCCOCC=C(C)C 34a_100000753907_100000755133 [0,2,0,0,0,0|0,0,2]=4 14697 B15R0.111 CCOC(=O)CCCCCOCC=C(C)C 7a_100011214988_100000761012 [0,2,0,0,0,0|0,0,2]=4 14698 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 34a_100000759926_100000755133 [0,2,0,0,0,0|0,0,1]=3 14699 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 7a_100000759926_100000755133 [0,2,0,0,0,0|0,0,1]=3 14700 B15R0.111 CCOC(=O)CCCCCOCCC(=O)C 7a_100011214988_100000053229 [0,2,0,0,0,0|0,0,1]=3 14701 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 34a_100000757172_100000755133 [0,2,0,0,0,0|1,0,1]=4 14702 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 7a_100000757172_100000755133 [0,2,0,0,0,0|1,0,1]=4 14703 B15R0.111 CCOC(=O)CCCCCOCCC(=O)N 7a_100011214988_100000744528 [0,2,0,0,0,0|1,0,1]=4 14704 B15R0.111 CCOC(=O)CCCCCOCCC(C)Br 34a_100009893172_100000755133 [0,2,0,0,0,0|0,0,0]=2 14705 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 34a_100000210254_100000755133 [0,2,0,0,0,0|0,0,0]=2 14706 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100000210254_100000755133 [0,2,0,0,0,0|0,0,0]=2 14707 B15R0.111 CCOC(=O)CCCCCOCCC(C)C 7a_100011214988_100000210626 [0,2,0,0,0,0|0,0,0]=2 14708 B15R0.111 CCOC(=O)CCCCCOCCC(C)O 7a_100011214988_100012276601 [0,2,0,0,0,0|0,0,0]=2 14709 B15R0.111 CCOC(=O)CCCCCOCCC(F)F 34a_100103093639_100000755133 [0,2,0,0,0,0|1,0,0]=3 14710 B15R0.111 CCOC(=O)CCCCCOCCN(C)C 7a_100011214988_100000755713 [0,2,0,0,0,0|1,0,0]=3 14711 B15R0.111 CCOC(=O)CCCCCOCC[C@@H](C)N 34a_100000706166_100000755133 [0,2,0,0,0,0|0,0,0]=2 14712 B15R0.111 CCOC(=O)CCCCCSCC=C(C)C 62a_100000755133_100000761012 [0,2,0,0,0,0|0,0,2]=4 14713 B15R0.111 CCOC(=O)CCCCCSCC=C(C)C 62a_100000761012_100000755133 [0,2,0,0,0,0|0,0,2]=4 14714 B15R0.111 CCOC(=O)CCCCCSCCC(=O)C 62a_100000053229_100000755133 [0,2,0,0,0,0|0,0,1]=3 14715 B15R0.111 CCOC(=O)CCCCCSCCC(=O)C 62a_100000755133_100000053229 [0,2,0,0,0,0|0,0,1]=3 14716 B15R0.111 CCOC(=O)CCCCCSCCC(=O)N 62a_100000744528_100000755133 [0,2,0,0,0,0|1,0,1]=4 14717 B15R0.111 CCOC(=O)CCCCCSCCC(=O)N 62a_100000755133_100000744528 [0,2,0,0,0,0|1,0,1]=4 14718 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000210312_100000755133 [0,2,0,0,0,0|0,0,0]=2 14719 B15R0.111 CCOC(=O)CCCCCSCCC(C)C 62a_100000755133_100000210312 [0,2,0,0,0,0|0,0,0]=2 14720 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100000755133_100012276601 [0,2,0,0,0,0|0,0,0]=2 14721 B15R0.111 CCOC(=O)CCCCCSCCC(C)O 62a_100012276601_100000755133 [0,2,0,0,0,0|0,0,0]=2 14722 B15R0.111 CCOC(=O)CCCCCSCCN(C)C 62a_100000755133_100000755713 [0,2,0,0,0,0|1,0,0]=3 14723 B15R0.111 CCOC(=O)CCCCCSCOC(=O)C 62a_100000076356_100000755133 [0,2,0,0,0,0|1,0,1]=4 14724 B15R0.111 CCOC(=O)CCCCCSCOC(=O)C 62a_100000755133_100000076356 [0,2,0,0,0,0|1,0,1]=4 14725 B15R0.111 CCOC(=O)CCCCCSCOC(C)C 62a_100000709892_100000755133 [0,2,0,0,0,0|1,0,0]=3 14726 B15R0.111 CCOC(=O)CCCCCSCOC(C)C 62a_100000755133_100000709892 [0,2,0,0,0,0|1,0,0]=3 14727 B15R0.111 CCOC(=O)CCCCNCCCC(=O)N 34a_100000739312_100000750268 [0,2,0,0,0,0|1,0,1]=4 14728 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 2230a_200000737386_100000750268 [0,2,0,0,0,0|0,0,0]=2 14729 B15R0.111 CCOC(=O)CCCCNCCCC(C)C 34a_200000737386_100000750268 [0,2,0,0,0,0|0,0,0]=2 14730 B15R0.111 CCOC(=O)CCCCNCCCS(=O)C 2230a_200000753449_100000750268 [0,2,0,0,0,0|1,0,0]=3 14731 B15R0.111 CCOC(=O)CCCCNCCNC(=O)C 2230a_100000209853_100000750268 [0,2,0,0,0,0|1,0,1]=4 14732 B15R0.111 CCOC(=O)CCCCNCCOC(C)C 2230a_100000701111_100000750268 [0,2,0,0,0,0|1,0,0]=3 14733 B15R0.111 CCOC(=O)CCCCNCCOC(C)C 34a_100000701111_100000750268 [0,2,0,0,0,0|1,0,0]=3 14734 B15R0.111 CCOC(=O)CCCCNCCSC(C)C 2230a_100000731138_100000750268 [0,2,0,0,0,0|1,0,0]=3 14735 B15R0.111 CCOC(=O)CCCCNCCSC(C)C 34a_100000731138_100000750268 [0,2,0,0,0,0|1,0,0]=3 14736 B15R0.111 CCOC(=O)CCCCOCCCC(=O)C 34a_100000759063_100000750268 [0,2,0,0,0,0|0,0,1]=3 14737 B15R0.111 CCOC(=O)CCCCOCCCC(=O)C 7a_100000759063_100000750268 [0,2,0,0,0,0|0,0,1]=3 14738 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 34a_100000210774_100000750268 [0,2,0,0,0,0|0,0,0]=2 14739 B15R0.111 CCOC(=O)CCCCOCCCC(C)C 7a_100000210774_100000750268 [0,2,0,0,0,0|0,0,0]=2 14740 B15R0.111 CCOC(=O)CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000750268 [0,2,0,0,0,0|2,0,0]=4 14741 B15R0.111 CCOC(=O)CCCCOCCNC(=O)C 34a_100000158858_100000750268 [0,2,0,0,0,0|1,0,1]=4 14742 B15R0.111 CCOC(=O)CCCCOCCNC(C)C 34a_100000224655_100000750268 [0,2,0,0,0,0|1,0,0]=3 14743 B15R0.111 CCOC(=O)CCCCOCCOC(C)C 34a_100000211219_100000750268 [0,2,0,0,0,0|1,0,0]=3 14744 B15R0.111 CCOC(=O)CCCCOCCOC(C)C 7a_100000211219_100000750268 [0,2,0,0,0,0|1,0,0]=3 14745 B15R0.111 CCOC(=O)CCCCOCCSC(C)C 34a_200011212901_100000750268 [0,2,0,0,0,0|1,0,0]=3 14746 B15R0.111 CCOC(=O)CCCCOCCSC(C)C 7a_200011212901_100000750268 [0,2,0,0,0,0|1,0,0]=3 14747 B15R0.111 CCOC(=O)CCCCSCCC=C(C)C 62a_100000750268_100011217483 [0,2,0,0,0,0|0,0,2]=4 14748 B15R0.111 CCOC(=O)CCCCSCCC=C(C)C 62a_100011217483_100000750268 [0,2,0,0,0,0|0,0,2]=4 14749 B15R0.111 CCOC(=O)CCCCSCCCC(=O)C 62a_100000750268_100011215641 [0,2,0,0,0,0|0,0,1]=3 14750 B15R0.111 CCOC(=O)CCCCSCCCC(=O)C 62a_100011215641_100000750268 [0,2,0,0,0,0|0,0,1]=3 14751 B15R0.111 CCOC(=O)CCCCSCCCC(=O)N 62a_100000750268_100102525003 [0,2,0,0,0,0|1,0,1]=4 14752 B15R0.111 CCOC(=O)CCCCSCCCC(=O)N 62a_100102525003_100000750268 [0,2,0,0,0,0|1,0,1]=4 14753 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100000750268_100011214892 [0,2,0,0,0,0|0,0,0]=2 14754 B15R0.111 CCOC(=O)CCCCSCCCC(C)C 62a_100011214892_100000750268 [0,2,0,0,0,0|0,0,0]=2 14755 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_100000750268_200000718107 [0,2,0,0,0,0|0,0,0]=2 14756 B15R0.111 CCOC(=O)CCCCSCCCC(C)O 62a_200000718107_100000750268 [0,2,0,0,0,0|0,0,0]=2 14757 B15R0.111 CCOC(=O)CCCCSCCCN(C)C 62a_100000750268_100000757444 [0,2,0,0,0,0|1,0,0]=3 14758 B15R0.111 CCOC(=O)CCCCSCCNC(=O)C 62a_100000189650_100000750268 [0,2,0,0,0,0|1,0,1]=4 14759 B15R0.111 CCOC(=O)CCCCSCCNC(=O)C 62a_100000750268_100000189650 [0,2,0,0,0,0|1,0,1]=4 14760 B15R0.111 CCOC(=O)CCCCSCCOC(=O)C 62a_100000750268_100009814007 [0,2,0,0,0,0|1,0,1]=4 14761 B15R0.111 CCOC(=O)CCCCSCCOC(=O)C 62a_100009814007_100000750268 [0,2,0,0,0,0|1,0,1]=4 14762 B15R0.111 CCOC(=O)CCCCSCCOC(C)C 62a_100000211751_100000750268 [0,2,0,0,0,0|1,0,0]=3 14763 B15R0.111 CCOC(=O)CCCCSCCOC(C)C 62a_100000750268_100000211751 [0,2,0,0,0,0|1,0,0]=3 14764 B15R0.111 CCOC(=O)CCCCSCCSC(C)C 62a_100000730970_100000750268 [0,2,0,0,0,0|1,0,0]=3 14765 B15R0.111 CCOC(=O)CCCCSCCSC(C)C 62a_100000750268_100000730970 [0,2,0,0,0,0|1,0,0]=3 14766 B15R0.111 CCOC(=O)CCCNCCCCC(=O)N 34a_100000696515_100009991533 [0,2,0,0,0,0|1,0,1]=4 14767 B15R0.111 CCOC(=O)CCCNCCCNC(=O)C 34a_100000736810_100009991533 [0,2,0,0,0,0|1,0,1]=4 14768 B15R0.111 CCOC(=O)CCCNCCCOC(C)C 2230a_100000737246_100009991533 [0,2,0,0,0,0|1,0,0]=3 14769 B15R0.111 CCOC(=O)CCCNCCCOC(C)C 34a_100000737246_100009991533 [0,2,0,0,0,0|1,0,0]=3 14770 B15R0.111 CCOC(=O)CCCOCCCCB(O)O 7a_100012001163_200009817182 [0,2,0,0,0,0|2,0,0]=4 14771 B15R0.111 CCOC(=O)CCCOCCCCC(=O)C 7a_100012001163_100000735457 [0,2,0,0,0,0|0,0,1]=3 14772 B15R0.111 CCOC(=O)CCCOCCCCC(=O)N 34a_100012022536_100009991533 [0,2,0,0,0,0|1,0,1]=4 14773 B15R0.111 CCOC(=O)CCCOCCCCC(=O)N 7a_100012022536_100011215271 [0,2,0,0,0,0|1,0,1]=4 14774 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 34a_100011214890_100009991533 [0,2,0,0,0,0|0,0,0]=2 14775 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100011214890_100011215271 [0,2,0,0,0,0|0,0,0]=2 14776 B15R0.111 CCOC(=O)CCCOCCCCC(C)C 7a_100012001163_100011216152 [0,2,0,0,0,0|0,0,0]=2 14777 B15R0.111 CCOC(=O)CCCOCCCC[N+](=O)[O-] 34a_200015379883_100009991533 [0,2,0,0,0,0|2,0,0]=4 14778 B15R0.111 CCOC(=O)CCCOCCCC[N+](=O)[O-] 7a_200015379883_100011215271 [0,2,0,0,0,0|2,0,0]=4 14779 B15R0.111 CCOC(=O)CCCOCCCNC(=O)C 34a_100000752032_100009991533 [0,2,0,0,0,0|1,0,1]=4 14780 B15R0.111 CCOC(=O)CCCOCCCNC(C)C 34a_100000182298_100009991533 [0,2,0,0,0,0|1,0,0]=3 14781 B15R0.111 CCOC(=O)CCCOCCCOC(=O)C 7a_100012001163_100000042594 [0,2,0,0,0,0|1,0,1]=4 14782 B15R0.111 CCOC(=O)CCCOCCCOC(=S)C 7a_100012001163_200135323944 [0,2,0,0,0,0|1,0,1]=4 14783 B15R0.111 CCOC(=O)CCCOCCCSC(=O)C 7a_100012001163_100000038929 [0,2,0,0,0,0|1,0,1]=4 14784 B15R0.111 CCOC(=O)CCCOCCNCC(C)C 34a_100015185251_100009991533 [0,2,0,0,0,0|1,0,0]=3 14785 B15R0.111 CCOC(=O)CCCOCCOCC(C)C 34a_100000703358_100009991533 [0,2,0,0,0,0|1,0,0]=3 14786 B15R0.111 CCOC(=O)CCCOCCOCC(C)C 7a_100000703358_100011215271 [0,2,0,0,0,0|1,0,0]=3 14787 B15R0.111 CCOC(=O)CCCOCCOCC(F)F 34a_100000704375_100009991533 [0,2,0,0,0,0|2,0,0]=4 14788 B15R0.111 CCOC(=O)CCCOCCOCC(F)F 7a_100000704375_100011215271 [0,2,0,0,0,0|2,0,0]=4 14789 B15R0.111 CCOC(=O)CCCOCCOCC(F)F 7a_100012001163_200012177212 [0,2,0,0,0,0|2,0,0]=4 14790 B15R0.111 CCOC(=O)CCCOCCSCC(C)C 34a_200000230437_100009991533 [0,2,0,0,0,0|1,0,0]=3 14791 B15R0.111 CCOC(=O)CCCOCCSCC(C)C 7a_200000230437_100011215271 [0,2,0,0,0,0|1,0,0]=3 14792 B15R0.111 CCOC(=O)CCCSCCCCB(O)O 62a_100009991533_200009817182 [0,2,0,0,0,0|2,0,0]=4 14793 B15R0.111 CCOC(=O)CCCSCCCCB(O)O 62a_200009817182_100009991533 [0,2,0,0,0,0|2,0,0]=4 14794 B15R0.111 CCOC(=O)CCCSCCCCC(=O)C 62a_100000735457_100009991533 [0,2,0,0,0,0|0,0,1]=3 14795 B15R0.111 CCOC(=O)CCCSCCCCC(=O)C 62a_100009991533_100000735457 [0,2,0,0,0,0|0,0,1]=3 14796 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100009991533_100011216152 [0,2,0,0,0,0|0,0,0]=2 14797 B15R0.111 CCOC(=O)CCCSCCCCC(C)C 62a_100011216152_100009991533 [0,2,0,0,0,0|0,0,0]=2 14798 B15R0.111 CCOC(=O)CCCSCCCCN(C)C 62a_100009991533_100000690147 [0,2,0,0,0,0|1,0,0]=3 14799 B15R0.111 CCOC(=O)CCCSCCCOC(=O)C 62a_100000042594_100009991533 [0,2,0,0,0,0|1,0,1]=4 14800 B15R0.111 CCOC(=O)CCCSCCCOC(=O)C 62a_100009991533_100000042594 [0,2,0,0,0,0|1,0,1]=4 14801 B15R0.111 CCOC(=O)CCCSCCCOC(=S)C 62a_100009991533_200135323944 [0,2,0,0,0,0|1,0,1]=4 14802 B15R0.111 CCOC(=O)CCCSCCCOC(=S)C 62a_200135323944_100009991533 [0,2,0,0,0,0|1,0,1]=4 14803 B15R0.111 CCOC(=O)CCCSCCCSC(=O)C 62a_100000038929_100009991533 [0,2,0,0,0,0|1,0,1]=4 14804 B15R0.111 CCOC(=O)CCCSCCCSC(=O)C 62a_100009991533_100000038929 [0,2,0,0,0,0|1,0,1]=4 14805 B15R0.111 CCOC(=O)CCCSCCOCC(F)F 62a_100009991533_200012177212 [0,2,0,0,0,0|2,0,0]=4 14806 B15R0.111 CCOC(=O)CCCSCCOCC(F)F 62a_200012177212_100009991533 [0,2,0,0,0,0|2,0,0]=4 14807 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 2230a_100011290863_100011206558 [0,2,0,0,0,0|0,0,0]=2 14808 B15R0.111 CCOC(=O)CCNCCCCCC(C)C 34a_100011290863_100000765890 [0,2,0,0,0,0|0,0,0]=2 14809 B15R0.111 CCOC(=O)CCNCCCCNC(=O)C 2230a_200011368371_100011206558 [0,2,0,0,0,0|1,0,1]=4 14810 B15R0.111 CCOC(=O)CCNCCCCNC(=O)C 34a_200011368371_100000765890 [0,2,0,0,0,0|1,0,1]=4 14811 B15R0.111 CCOC(=O)CCNCCCOCC(C)C 2230a_100000205972_100011206558 [0,2,0,0,0,0|1,0,0]=3 14812 B15R0.111 CCOC(=O)CCNCCCOCC(C)C 34a_100000205972_100000765890 [0,2,0,0,0,0|1,0,0]=3 14813 B15R0.111 CCOC(=O)CCOCCCCCC(=O)N 34a_100000123541_100000765890 [0,2,0,0,0,0|1,0,1]=4 14814 B15R0.111 CCOC(=O)CCOCCCCCC(=O)N 7a_100000123541_100011206558 [0,2,0,0,0,0|1,0,1]=4 14815 B15R0.111 CCOC(=O)CCOCCCCCC(=O)[O-] 7a_100102619762_100011206558 [0,2,0,0,0,0|1,0,1]=4 14816 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 34a_100011995859_100000765890 [0,2,0,0,0,0|0,0,0]=2 14817 B15R0.111 CCOC(=O)CCOCCCCCC(C)C 7a_100011995859_100011206558 [0,2,0,0,0,0|0,0,0]=2 14818 B15R0.111 CCOC(=O)CCOCCCCNC(C)C 34a_100011521146_100000765890 [0,2,0,0,0,0|1,0,0]=3 14819 B15R0.111 CCOC(=O)CCOCCCCOC(=O)C 34a_100000073216_100000765890 [0,2,0,0,0,0|1,0,1]=4 14820 B15R0.111 CCOC(=O)CCOCCCCOC(=O)C 7a_100000073216_100011206558 [0,2,0,0,0,0|1,0,1]=4 14821 B15R0.111 CCOC(=O)CCOCCOCCC(=O)C 1458a_100000067408_200000210301 [0,2,0,0,0,0|1,0,1]=4 14822 B15R0.111 CCOC(=O)CCOCCOCCC(=O)[13CH3] 1458a_100000067408_200025704644 [0,2,0,0,0,0|1,0,1]=4 14823 B15R0.111 CCOC(=O)CCSCCCCCB(O)O 62a_100000765890_200009817188 [0,2,0,0,0,0|2,0,0]=4 14824 B15R0.111 CCOC(=O)CCSCCCCCB(O)O 62a_200009817188_100000765890 [0,2,0,0,0,0|2,0,0]=4 14825 B15R0.111 CCOC(=O)CCSCCCCCC(=O)N 62a_100000765890_100009817443 [0,2,0,0,0,0|1,0,1]=4 14826 B15R0.111 CCOC(=O)CCSCCCCCC(=O)N 62a_100009817443_100000765890 [0,2,0,0,0,0|1,0,1]=4 14827 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000210682_100000765890 [0,2,0,0,0,0|0,0,0]=2 14828 B15R0.111 CCOC(=O)CCSCCCCCC(C)C 62a_100000765890_100000210682 [0,2,0,0,0,0|0,0,0]=2 14829 B15R0.111 CCOC(=O)CCSCCCCOC(=O)C 62a_100000033659_100000765890 [0,2,0,0,0,0|1,0,1]=4 14830 B15R0.111 CCOC(=O)CCSCCCCOC(=O)C 62a_100000765890_100000033659 [0,2,0,0,0,0|1,0,1]=4 14831 B15R0.111 CCOC(=O)CCSCCCCSC(=O)C 62a_100000765890_200010402107 [0,2,0,0,0,0|1,0,1]=4 14832 B15R0.111 CCOC(=O)CCSCCCCSC(=O)C 62a_200010402107_100000765890 [0,2,0,0,0,0|1,0,1]=4 14833 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 2230a_100000211014_100000188475 [0,2,0,0,0,0|0,0,0]=2 14834 B15R0.111 CCOC(=O)CNCCCCCCC(C)C 34a_100000211014_100000188475 [0,2,0,0,0,0|0,0,0]=2 14835 B15R0.111 CCOC(=O)CNCCCCCNC(=O)C 2230a_200012022750_100000188475 [0,2,0,0,0,0|1,0,1]=4 14836 B15R0.111 CCOC(=O)CNCCCCCNC(=O)C 34a_200012022750_100000188475 [0,2,0,0,0,0|1,0,1]=4 14837 B15R0.111 CCOC(=O)COCCCCCNC(C)C 34a_100011629493_100000188475 [0,2,0,0,0,0|1,0,0]=3 14838 B15R0.111 CCOC(=O)COCCCNCCC(C)O 2230a_200000755665_100009893628 [0,2,0,0,0,0|1,0,0]=3 14839 B15R0.111 CCOC(=O)COCCCOCCC(=O)C 34a_100000759926_100009893628 [0,2,0,0,0,0|1,0,1]=4 14840 B15R0.111 CCOC(=O)COCCCOCCC(=O)C 7a_100000759926_100009893628 [0,2,0,0,0,0|1,0,1]=4 14841 B15R0.111 CCOC(=O)COCCCOCCC(C)Br 34a_100009893172_100009893628 [0,2,0,0,0,0|1,0,0]=3 14842 B15R0.111 CCOC(=O)COCCCOCCC(C)C 34a_100000210254_100009893628 [0,2,0,0,0,0|1,0,0]=3 14843 B15R0.111 CCOC(=O)COCCCOCCC(C)C 7a_100000210254_100009893628 [0,2,0,0,0,0|1,0,0]=3 14844 B15R0.111 CCOC(=O)COCCCOCCC(F)F 34a_100103093639_100009893628 [0,2,0,0,0,0|2,0,0]=4 14845 B15R0.111 CCOC(=O)COCCCOCC[C@@H](C)N 34a_100000706166_100009893628 [0,2,0,0,0,0|1,0,0]=3 14846 B15R0.111 CCOC(=O)COCCCSCCC(=O)C 62a_100000053229_100009893628 [0,2,0,0,0,0|1,0,1]=4 14847 B15R0.111 CCOC(=O)COCCCSCCC(=O)C 62a_100009893628_100000053229 [0,2,0,0,0,0|1,0,1]=4 14848 B15R0.111 CCOC(=O)COCCCSCCC(C)C 62a_100000210312_100009893628 [0,2,0,0,0,0|1,0,0]=3 14849 B15R0.111 CCOC(=O)COCCCSCCC(C)C 62a_100009893628_100000210312 [0,2,0,0,0,0|1,0,0]=3 14850 B15R0.111 CCOC(=O)COCCCSCCC(C)O 62a_100009893628_100012276601 [0,2,0,0,0,0|1,0,0]=3 14851 B15R0.111 CCOC(=O)COCCCSCCC(C)O 62a_100012276601_100009893628 [0,2,0,0,0,0|1,0,0]=3 14852 B15R0.111 CCOC(=O)COCCCSCCN(C)C 62a_100009893628_100000755713 [0,2,0,0,0,0|2,0,0]=4 14853 B15R0.111 CCOC(=O)COCCCSCOC(C)C 62a_100000709892_100009893628 [0,2,0,0,0,0|2,0,0]=4 14854 B15R0.111 CCOC(=O)COCCCSCOC(C)C 62a_100009893628_100000709892 [0,2,0,0,0,0|2,0,0]=4 14855 B15R0.111 CCOC(=O)COCCNCCCC(C)C 2230a_200000737386_100000088970 [0,2,0,0,0,0|1,0,0]=3 14856 B15R0.111 CCOC(=O)COCCNCCCC(C)C 34a_200000737386_100000088970 [0,2,0,0,0,0|1,0,0]=3 14857 B15R0.111 CCOC(=O)COCCNCCCS(=O)C 2230a_200000753449_100000088970 [0,2,0,0,0,0|2,0,0]=4 14858 B15R0.111 CCOC(=O)COCCNCCOC(C)C 2230a_100000701111_100000088970 [0,2,0,0,0,0|2,0,0]=4 14859 B15R0.111 CCOC(=O)COCCNCCOC(C)C 34a_100000701111_100000088970 [0,2,0,0,0,0|2,0,0]=4 14860 B15R0.111 CCOC(=O)COCCNCCSC(C)C 2230a_100000731138_100000088970 [0,2,0,0,0,0|2,0,0]=4 14861 B15R0.111 CCOC(=O)COCCNCCSC(C)C 34a_100000731138_100000088970 [0,2,0,0,0,0|2,0,0]=4 14862 B15R0.111 CCOC(=O)COCCOCCCC(=O)C 34a_100000759063_100000088970 [0,2,0,0,0,0|1,0,1]=4 14863 B15R0.111 CCOC(=O)COCCOCCCC(=O)C 7a_100000759063_100000088970 [0,2,0,0,0,0|1,0,1]=4 14864 B15R0.111 CCOC(=O)COCCOCCCC(C)C 34a_100000210774_100000088970 [0,2,0,0,0,0|1,0,0]=3 14865 B15R0.111 CCOC(=O)COCCOCCCC(C)C 7a_100000210774_100000088970 [0,2,0,0,0,0|1,0,0]=3 14866 B15R0.111 CCOC(=O)COCCOCCNC(C)C 34a_100000224655_100000088970 [0,2,0,0,0,0|2,0,0]=4 14867 B15R0.111 CCOC(=O)COCCOCCOC(C)C 34a_100000211219_100000088970 [0,2,0,0,0,0|2,0,0]=4 14868 B15R0.111 CCOC(=O)COCCOCCOC(C)C 7a_100000211219_100000088970 [0,2,0,0,0,0|2,0,0]=4 14869 B15R0.111 CCOC(=O)COCCOCCSC(C)C 34a_200011212901_100000088970 [0,2,0,0,0,0|2,0,0]=4 14870 B15R0.111 CCOC(=O)COCCOCCSC(C)C 7a_200011212901_100000088970 [0,2,0,0,0,0|2,0,0]=4 14871 B15R0.111 CCOC(=O)COCCSCCCC(=O)C 62a_100000088970_100011215641 [0,2,0,0,0,0|1,0,1]=4 14872 B15R0.111 CCOC(=O)COCCSCCCC(=O)C 62a_100011215641_100000088970 [0,2,0,0,0,0|1,0,1]=4 14873 B15R0.111 CCOC(=O)COCCSCCCC(C)C 62a_100000088970_100011214892 [0,2,0,0,0,0|1,0,0]=3 14874 B15R0.111 CCOC(=O)COCCSCCCC(C)C 62a_100011214892_100000088970 [0,2,0,0,0,0|1,0,0]=3 14875 B15R0.111 CCOC(=O)COCCSCCCC(C)O 62a_100000088970_200000718107 [0,2,0,0,0,0|1,0,0]=3 14876 B15R0.111 CCOC(=O)COCCSCCCC(C)O 62a_200000718107_100000088970 [0,2,0,0,0,0|1,0,0]=3 14877 B15R0.111 CCOC(=O)COCCSCCCN(C)C 62a_100000088970_100000757444 [0,2,0,0,0,0|2,0,0]=4 14878 B15R0.111 CCOC(=O)COCCSCCOC(C)C 62a_100000088970_100000211751 [0,2,0,0,0,0|2,0,0]=4 14879 B15R0.111 CCOC(=O)COCCSCCOC(C)C 62a_100000211751_100000088970 [0,2,0,0,0,0|2,0,0]=4 14880 B15R0.111 CCOC(=O)COCCSCCSC(C)C 62a_100000088970_100000730970 [0,2,0,0,0,0|2,0,0]=4 14881 B15R0.111 CCOC(=O)COCCSCCSC(C)C 62a_100000730970_100000088970 [0,2,0,0,0,0|2,0,0]=4 14882 B15R0.111 CCOC(=O)CSCCCCCCB(O)O 62a_100000188475_100009817187 [0,2,0,0,0,0|2,0,0]=4 14883 B15R0.111 CCOC(=O)CSCCCCCCB(O)O 62a_100009817187_100000188475 [0,2,0,0,0,0|2,0,0]=4 14884 B15R0.111 CCOC(=O)CSCCCCCOC(=O)C 62a_100000033007_100000188475 [0,2,0,0,0,0|1,0,1]=4 14885 B15R0.111 CCOC(=O)CSCCCCCOC(=O)C 62a_100000188475_100000033007 [0,2,0,0,0,0|1,0,1]=4 14886 B15R0.111 CCOC(=O)CSCCOCCCC(=O)C 7a_200000230590_100011215641 [0,2,0,0,0,0|1,0,1]=4 14887 B15R0.111 CCOC(=O)CSCCOCCCC(C)C 7a_200000230590_100011214892 [0,2,0,0,0,0|1,0,0]=3 14888 B15R0.111 CCOC(=O)CSCCOCCCC(C)O 7a_200000230590_200000718107 [0,2,0,0,0,0|1,0,0]=3 14889 B15R0.111 CCOC(=O)CSCCOCCCN(C)C 7a_200000230590_100000757444 [0,2,0,0,0,0|2,0,0]=4 14890 B15R0.111 CCOC(=O)CSCCOCCOC(C)C 7a_200000230590_100000211751 [0,2,0,0,0,0|2,0,0]=4 14891 B15R0.111 CCOC(=O)CSCCOCCSC(C)C 7a_200000230590_100000730970 [0,2,0,0,0,0|2,0,0]=4 14892 B15R0.111 CCOC(=O)NCCOCCCCC(=O)C 34a_100000158857_100009817362 [0,2,0,0,0,0|1,0,1]=4 14893 B15R0.111 CCOC(=O)NCCOCCCCC(C)C 34a_100000158857_100011216152 [0,2,0,0,0,0|1,0,0]=3 14894 B15R0.111 CCOC(=O)NCCOCCCCC(C)C 7a_100011214890_200011445536 [0,2,0,0,0,0|1,0,0]=3 14895 B15R0.111 CCOC(=O)NCCOCCOCC(C)C 7a_100000703358_200011445536 [0,2,0,0,0,0|2,0,0]=4 14896 B15R0.111 CCOC(=O)NCCOCCSCC(C)C 7a_200000230437_200011445536 [0,2,0,0,0,0|2,0,0]=4 14897 B15R0.111 CCOC(=O)NCCSCCCCC(=O)C 62a_100000735457_200011445536 [0,2,0,0,0,0|1,0,1]=4 14898 B15R0.111 CCOC(=O)NCCSCCCCC(C)C 62a_100011216152_200011445536 [0,2,0,0,0,0|1,0,0]=3 14899 B15R0.111 CCOC(=O)OCSCCCCCC(C)C 62a_100000210682_100000075025 [0,2,0,0,0,0|1,0,0]=3 14900 B15R0.366 C#CCCCCCCCNCC(=O)NCC 2230a_100016988866_100153394163 [0,2,0,0,0,0|1,0,1]=4 14901 B15R0.366 C#CCCCCCCCOCC(=O)CCC 7a_100000054614_100000747444 [0,2,0,0,0,0|1,0,1]=4 14902 B15R0.366 C#CCCCCCCCOCC(=O)NCC 34a_100000054614_100000183381 [0,2,0,0,0,0|1,0,1]=4 14903 B15R0.366 C#CCCCCCCCOCC(=O)NCC 7a_100000054614_100000183381 [0,2,0,0,0,0|1,0,1]=4 14904 B15R0.366 C#CCCCCCCCOCC(=O)OCC 34a_100000054614_100000188475 [0,2,0,0,0,0|0,0,1]=3 14905 B15R0.366 C#CCCCCCCCOCC(=O)OCC 7a_100000054614_100000188475 [0,2,0,0,0,0|0,0,1]=3 14906 B15R0.366 C#CCCCCCCCSCC(=O)CCC 62a_100000747444_100153394163 [0,2,0,0,0,0|1,0,1]=4 14907 B15R0.366 C#CCCCCCCCSCC(=O)CCC 62a_100153394163_100000747444 [0,2,0,0,0,0|1,0,1]=4 14908 B15R0.366 C#CCCCCCCCSCC(=O)NCC 62a_100000183381_100153394163 [0,2,0,0,0,0|1,0,1]=4 14909 B15R0.366 C#CCCCCCCCSCC(=O)NCC 62a_100153394163_100000183381 [0,2,0,0,0,0|1,0,1]=4 14910 B15R0.366 C#CCCCCCCCSCC(=O)OCC 62a_100000188475_100153394163 [0,2,0,0,0,0|0,0,1]=3 14911 B15R0.366 C#CCCCCCCCSCC(=O)OCC 62a_100153394163_100000188475 [0,2,0,0,0,0|0,0,1]=3 14912 B15R0.366 C#CCCCCCCNCCC(=O)NCC 34a_100025743525_100012276617 [0,2,0,0,0,0|1,0,1]=4 14913 B15R0.366 C#CCCCCCCOCCC(=O)NCC 7a_100011217361_100000737597 [0,2,0,0,0,0|1,0,1]=4 14914 B15R0.366 C#CCCCCCCOCCC(=O)OCC 34a_100011217361_100000765890 [0,2,0,0,0,0|0,0,1]=3 14915 B15R0.366 C#CCCCCCCOCCC(=O)OCC 7a_100011217361_100011206558 [0,2,0,0,0,0|0,0,1]=3 14916 B15R0.366 C#CCCCCCCSCCC(=O)NCC 62a_100000737597_100012276617 [0,2,0,0,0,0|1,0,1]=4 14917 B15R0.366 C#CCCCCCCSCCC(=O)NCC 62a_100012276617_100000737597 [0,2,0,0,0,0|1,0,1]=4 14918 B15R0.366 C#CCCCCCCSCCC(=O)OCC 62a_100000765890_100012276617 [0,2,0,0,0,0|0,0,1]=3 14919 B15R0.366 C#CCCCCCCSCCC(=O)OCC 62a_100012276617_100000765890 [0,2,0,0,0,0|0,0,1]=3 14920 B15R0.366 C#CCCCCCCSCOC(=O)OCC 62a_100012276617_100000075025 [0,2,0,0,0,0|0,0,2]=4 14921 B15R0.366 C#CCCCCCOCCCC(=O)OCC 34a_100000766912_100009991533 [0,2,0,0,0,0|0,0,1]=3 14922 B15R0.366 C#CCCCCCOCCCC(=O)OCC 7a_100000766912_100011215271 [0,2,0,0,0,0|0,0,1]=3 14923 B15R0.366 C#CCCCCCOCCCC(=O)OCC 7a_100012001163_100012094781 [0,2,0,0,0,0|0,0,1]=3 14924 B15R0.366 C#CCCCCCOCCNC(=O)OCC 34a_100000158857_100012094781 [0,2,0,0,0,0|0,0,2]=4 14925 B15R0.366 C#CCCCCCOCCNC(=O)OCC 7a_100000766912_200011445536 [0,2,0,0,0,0|0,0,2]=4 14926 B15R0.366 C#CCCCCCSCCCC(=O)OCC 62a_100009991533_100012094781 [0,2,0,0,0,0|0,0,1]=3 14927 B15R0.366 C#CCCCCCSCCCC(=O)OCC 62a_100012094781_100009991533 [0,2,0,0,0,0|0,0,1]=3 14928 B15R0.366 C#CCCCCCSCCNC(=O)OCC 62a_100012094781_200011445536 [0,2,0,0,0,0|0,0,2]=4 14929 B15R0.366 C#CCCCCNCCCCC(=O)OCC 2230a_100000706060_100000750268 [0,2,0,0,0,0|0,0,1]=3 14930 B15R0.366 C#CCCCCNCCCCC(=O)OCC 34a_100000706060_100000750268 [0,2,0,0,0,0|0,0,1]=3 14931 B15R0.366 C#CCCCCNCCOCC(=O)OCC 2230a_100000706060_100000088970 [0,2,0,0,0,0|0,0,2]=4 14932 B15R0.366 C#CCCCCNCCOCC(=O)OCC 34a_100000706060_100000088970 [0,2,0,0,0,0|0,0,2]=4 14933 B15R0.366 C#CCCCCOCCCCC(=O)OCC 34a_100000766709_100000750268 [0,2,0,0,0,0|0,0,1]=3 14934 B15R0.366 C#CCCCCOCCCCC(=O)OCC 7a_100000766709_100000750268 [0,2,0,0,0,0|0,0,1]=3 14935 B15R0.366 C#CCCCCOCCOCC(=O)OCC 34a_100000766709_100000088970 [0,2,0,0,0,0|0,0,2]=4 14936 B15R0.366 C#CCCCCOCCOCC(=O)OCC 7a_100000766709_100000088970 [0,2,0,0,0,0|0,0,2]=4 14937 B15R0.366 C#CCCCCOCCSCC(=O)OCC 7a_200000230590_100010269958 [0,2,0,0,0,0|0,0,2]=4 14938 B15R0.366 C#CCCCCSCCCCC(=O)OCC 62a_100000750268_100010269958 [0,2,0,0,0,0|0,0,1]=3 14939 B15R0.366 C#CCCCCSCCCCC(=O)OCC 62a_100010269958_100000750268 [0,2,0,0,0,0|0,0,1]=3 14940 B15R0.366 C#CCCCCSCCOCC(=O)OCC 62a_100000088970_100010269958 [0,2,0,0,0,0|0,0,2]=4 14941 B15R0.366 C#CCCCCSCCOCC(=O)OCC 62a_100010269958_100000088970 [0,2,0,0,0,0|0,0,2]=4 14942 B15R0.366 C#CCCCNCCCCCC(=O)OCC 34a_100000718082_100000755133 [0,2,0,0,0,0|0,0,1]=3 14943 B15R0.366 C#CCCCNCCCOCC(=O)OCC 34a_100000718082_100009893628 [0,2,0,0,0,0|0,0,2]=4 14944 B15R0.366 C#CCCCOCCCCCC(=O)OCC 34a_100000215630_100000755133 [0,2,0,0,0,0|0,0,1]=3 14945 B15R0.366 C#CCCCOCCCCCC(=O)OCC 7a_100000215630_100000755133 [0,2,0,0,0,0|0,0,1]=3 14946 B15R0.366 C#CCCCOCCCCCC(=O)OCC 7a_100011214988_100011215417 [0,2,0,0,0,0|0,0,1]=3 14947 B15R0.366 C#CCCCOCCCOCC(=O)OCC 34a_100000215630_100009893628 [0,2,0,0,0,0|0,0,2]=4 14948 B15R0.366 C#CCCCOCCCOCC(=O)OCC 7a_100000215630_100009893628 [0,2,0,0,0,0|0,0,2]=4 14949 B15R0.366 C#CCCCSCCCCCC(=O)OCC 62a_100000755133_100011215417 [0,2,0,0,0,0|0,0,1]=3 14950 B15R0.366 C#CCCCSCCCCCC(=O)OCC 62a_100011215417_100000755133 [0,2,0,0,0,0|0,0,1]=3 14951 B15R0.366 C#CCCCSCCCOCC(=O)OCC 62a_100009893628_100011215417 [0,2,0,0,0,0|0,0,2]=4 14952 B15R0.366 C#CCCCSCCCOCC(=O)OCC 62a_100011215417_100009893628 [0,2,0,0,0,0|0,0,2]=4 14953 B15R0.366 C#CCCNCCCCCCC(=O)OCC 34a_100000755551_100009814379 [0,2,0,0,0,0|0,0,1]=3 14954 B15R0.366 C#CCCOCCCCCCC(=O)OCC 34a_100011215631_100009814379 [0,2,0,0,0,0|0,0,1]=3 14955 B15R0.366 C#CCCSCCCCCCC(=O)OCC 62a_100000688953_100009814379 [0,2,0,0,0,0|0,0,1]=3 14956 B15R0.366 C#CCNCCCCCCCC(=O)OCC 34a_100000212058_100009991516 [0,2,0,0,0,0|0,0,1]=3 14957 B15R0.366 C#CCOCCCCCCCC(=O)OCC 34a_100000210247_100009991516 [0,2,0,0,0,0|0,0,1]=3 14958 B15R0.366 C#CCOCCNCCCCC(=O)OCC 2230a_100000700922_100000750268 [0,2,0,0,0,0|0,0,2]=4 14959 B15R0.366 C#CCOCCNCCCCC(=O)OCC 34a_100000700922_100000750268 [0,2,0,0,0,0|0,0,2]=4 14960 B15R0.366 C#CCOCCOCCCCC(=O)OCC 34a_100000054580_100000750268 [0,2,0,0,0,0|0,0,2]=4 14961 B15R0.366 C#CCOCCOCCCCC(=O)OCC 7a_100000054580_100000750268 [0,2,0,0,0,0|0,0,2]=4 14962 B15R0.366 C#CCOCCSCCCCC(=O)OCC 62a_100000750268_100010402529 [0,2,0,0,0,0|0,0,2]=4 14963 B15R0.366 C#CCOCCSCCCCC(=O)OCC 62a_100010402529_100000750268 [0,2,0,0,0,0|0,0,2]=4 14964 B15R0.366 C#CCSCCCCCCCC(=O)OCC 62a_100000038162_100009991516 [0,2,0,0,0,0|0,0,1]=3 14965 B15R0.366 C/C=C/CCOCCCCCC(=O)OCC 34a_100016278192_100000755133 [0,2,0,0,0,0|0,0,1]=3 14966 B15R0.366 C/C=C/CCOCCCOCC(=O)OCC 34a_100016278192_100009893628 [0,2,0,0,0,0|0,0,2]=4 14967 B15R0.366 C/C=C/COCCCCCCC(=O)OCC 34a_100016270725_100009814379 [0,2,0,0,0,0|0,0,1]=3 14968 B15R0.366 C/C=C/CSCCCCCCC(=O)OCC 62a_100102629194_100009814379 [0,2,0,0,0,0|0,0,1]=3 14969 B15R0.366 C=CCCCCCCCCCC(=O)C#CC 1458a_100000763181_100009814027 [0,2,0,0,0,0|1,0,1]=4 14970 B15R0.366 C=CCCCCCCCCCC(=O)C=CC 1458a_100000210699_100009814027 [0,2,0,0,0,0|1,0,1]=4 14971 B15R0.366 C=CCCCCCCCCCC(=O)CCC 1458a_100000211992_100009814027 [0,2,0,0,0,0|1,0,0]=3 14972 B15R0.366 C=CCCCCCCCCCC(=O)CCO 1458a_100011216618_100009814027 [0,2,0,0,0,0|2,0,0]=4 14973 B15R0.366 C=CCCCCCCCCCC(=O)COC 1458a_100000210968_100009814027 [0,2,0,0,0,0|2,0,0]=4 14974 B15R0.366 C=CCCCCCCCCCC(=O)CSC 1458a_100000184570_100009814027 [0,2,0,0,0,0|2,0,0]=4 14975 B15R0.366 C=CCCCCCCCNCC(=O)NCC 2230a_100016988866_100012355270 [0,2,0,0,0,0|1,0,1]=4 14976 B15R0.366 C=CCCCCCCCOCC(=O)CCC 7a_100000730831_100000747444 [0,2,0,0,0,0|1,0,1]=4 14977 B15R0.366 C=CCCCCCCCOCC(=O)NCC 34a_100000730831_100000183381 [0,2,0,0,0,0|1,0,1]=4 14978 B15R0.366 C=CCCCCCCCOCC(=O)NCC 7a_100000730831_100000183381 [0,2,0,0,0,0|1,0,1]=4 14979 B15R0.366 C=CCCCCCCCOCC(=O)OCC 34a_100000730831_100000188475 [0,2,0,0,0,0|0,0,1]=3 14980 B15R0.366 C=CCCCCCCCOCC(=O)OCC 7a_100000730831_100000188475 [0,2,0,0,0,0|0,0,1]=3 14981 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100000747444_100012355270 [0,2,0,0,0,0|1,0,1]=4 14982 B15R0.366 C=CCCCCCCCSCC(=O)CCC 62a_100012355270_100000747444 [0,2,0,0,0,0|1,0,1]=4 14983 B15R0.366 C=CCCCCCCCSCC(=O)NCC 62a_100000183381_100012355270 [0,2,0,0,0,0|1,0,1]=4 14984 B15R0.366 C=CCCCCCCCSCC(=O)NCC 62a_100012355270_100000183381 [0,2,0,0,0,0|1,0,1]=4 14985 B15R0.366 C=CCCCCCCCSCC(=O)OCC 62a_100000188475_100012355270 [0,2,0,0,0,0|0,0,1]=3 14986 B15R0.366 C=CCCCCCCCSCC(=O)OCC 62a_100012355270_100000188475 [0,2,0,0,0,0|0,0,1]=3 14987 B15R0.366 C=CCCCCCCNCCC(=O)NCC 34a_100025743525_100011215473 [0,2,0,0,0,0|1,0,1]=4 14988 B15R0.366 C=CCCCCCCOCCC(=O)NCC 7a_200011216477_100000737597 [0,2,0,0,0,0|1,0,1]=4 14989 B15R0.366 C=CCCCCCCOCCC(=O)OCC 34a_200011216477_100000765890 [0,2,0,0,0,0|0,0,1]=3 14990 B15R0.366 C=CCCCCCCOCCC(=O)OCC 7a_200011216477_100011206558 [0,2,0,0,0,0|0,0,1]=3 14991 B15R0.366 C=CCCCCCCSCCC(=O)NCC 62a_100000737597_100011215473 [0,2,0,0,0,0|1,0,1]=4 14992 B15R0.366 C=CCCCCCCSCCC(=O)NCC 62a_100011215473_100000737597 [0,2,0,0,0,0|1,0,1]=4 14993 B15R0.366 C=CCCCCCCSCCC(=O)OCC 62a_100000765890_100011215473 [0,2,0,0,0,0|0,0,1]=3 14994 B15R0.366 C=CCCCCCCSCCC(=O)OCC 62a_100011215473_100000765890 [0,2,0,0,0,0|0,0,1]=3 14995 B15R0.366 C=CCCCCCCSCOC(=O)OCC 62a_100011215473_100000075025 [0,2,0,0,0,0|0,0,2]=4 14996 B15R0.366 C=CCCCCCOCCCC(=O)OCC 34a_100011216702_100009991533 [0,2,0,0,0,0|0,0,1]=3 14997 B15R0.366 C=CCCCCCOCCCC(=O)OCC 7a_100011216702_100011215271 [0,2,0,0,0,0|0,0,1]=3 14998 B15R0.366 C=CCCCCCOCCCC(=O)OCC 7a_100012001163_100000700193 [0,2,0,0,0,0|0,0,1]=3 14999 B15R0.366 C=CCCCCCOCCNC(=O)OCC 34a_100000158857_100000700193 [0,2,0,0,0,0|0,0,2]=4 15000 B15R0.366 C=CCCCCCOCCNC(=O)OCC 7a_100011216702_200011445536 [0,2,0,0,0,0|0,0,2]=4 15001 B15R0.366 C=CCCCCCSCCCC(=O)OCC 62a_100000700193_100009991533 [0,2,0,0,0,0|0,0,1]=3 15002 B15R0.366 C=CCCCCCSCCCC(=O)OCC 62a_100009991533_100000700193 [0,2,0,0,0,0|0,0,1]=3 15003 B15R0.366 C=CCCCCCSCCNC(=O)OCC 62a_100000700193_200011445536 [0,2,0,0,0,0|0,0,2]=4 15004 B15R0.366 C=CCCCCNCCCCC(=O)OCC 2230a_100000703577_100000750268 [0,2,0,0,0,0|0,0,1]=3 15005 B15R0.366 C=CCCCCNCCCCC(=O)OCC 34a_100000703577_100000750268 [0,2,0,0,0,0|0,0,1]=3 15006 B15R0.366 C=CCCCCNCCOCC(=O)OCC 2230a_100000703577_100000088970 [0,2,0,0,0,0|0,0,2]=4 15007 B15R0.366 C=CCCCCNCCOCC(=O)OCC 34a_100000703577_100000088970 [0,2,0,0,0,0|0,0,2]=4 15008 B15R0.366 C=CCCCCOCCCCC(=O)OCC 34a_100000766645_100000750268 [0,2,0,0,0,0|0,0,1]=3 15009 B15R0.366 C=CCCCCOCCCCC(=O)OCC 7a_100000766645_100000750268 [0,2,0,0,0,0|0,0,1]=3 15010 B15R0.366 C=CCCCCOCCOCC(=O)OCC 34a_100000766645_100000088970 [0,2,0,0,0,0|0,0,2]=4 15011 B15R0.366 C=CCCCCOCCOCC(=O)OCC 7a_100000766645_100000088970 [0,2,0,0,0,0|0,0,2]=4 15012 B15R0.366 C=CCCCCOCCSCC(=O)OCC 7a_200000230590_100011215482 [0,2,0,0,0,0|0,0,2]=4 15013 B15R0.366 C=CCCCCSCCCCC(=O)OCC 62a_100000750268_100011215482 [0,2,0,0,0,0|0,0,1]=3 15014 B15R0.366 C=CCCCCSCCCCC(=O)OCC 62a_100011215482_100000750268 [0,2,0,0,0,0|0,0,1]=3 15015 B15R0.366 C=CCCCCSCCOCC(=O)OCC 62a_100000088970_100011215482 [0,2,0,0,0,0|0,0,2]=4 15016 B15R0.366 C=CCCCCSCCOCC(=O)OCC 62a_100011215482_100000088970 [0,2,0,0,0,0|0,0,2]=4 15017 B15R0.366 C=CCCCNCCCCCC(=O)OCC 2230a_100000700776_100000755133 [0,2,0,0,0,0|0,0,1]=3 15018 B15R0.366 C=CCCCNCCCCCC(=O)OCC 34a_100000700776_100000755133 [0,2,0,0,0,0|0,0,1]=3 15019 B15R0.366 C=CCCCNCCCOCC(=O)OCC 2230a_100000700776_100009893628 [0,2,0,0,0,0|0,0,2]=4 15020 B15R0.366 C=CCCCNCCCOCC(=O)OCC 34a_100000700776_100009893628 [0,2,0,0,0,0|0,0,2]=4 15021 B15R0.366 C=CCCCOCCCCCC(=O)OCC 34a_100000758997_100000755133 [0,2,0,0,0,0|0,0,1]=3 15022 B15R0.366 C=CCCCOCCCCCC(=O)OCC 7a_100000758997_100000755133 [0,2,0,0,0,0|0,0,1]=3 15023 B15R0.366 C=CCCCOCCCCCC(=O)OCC 7a_100011214988_100000757094 [0,2,0,0,0,0|0,0,1]=3 15024 B15R0.366 C=CCCCOCCCOCC(=O)OCC 34a_100000758997_100009893628 [0,2,0,0,0,0|0,0,2]=4 15025 B15R0.366 C=CCCCOCCCOCC(=O)OCC 7a_100000758997_100009893628 [0,2,0,0,0,0|0,0,2]=4 15026 B15R0.366 C=CCCCSCCCCCC(=O)OCC 62a_100000755133_100000757094 [0,2,0,0,0,0|0,0,1]=3 15027 B15R0.366 C=CCCCSCCCCCC(=O)OCC 62a_100011713584_100000755133 [0,2,0,0,0,0|0,0,1]=3 15028 B15R0.366 C=CCCCSCCCOCC(=O)OCC 62a_100009893628_100000757094 [0,2,0,0,0,0|0,0,2]=4 15029 B15R0.366 C=CCCCSCCCOCC(=O)OCC 62a_100011713584_100009893628 [0,2,0,0,0,0|0,0,2]=4 15030 B15R0.366 C=CCCNCCCCCCC(=O)OCC 2230a_100015191253_100009814379 [0,2,0,0,0,0|0,0,1]=3 15031 B15R0.366 C=CCCOCCCCCCC(=O)OCC 34a_100011205117_100009814379 [0,2,0,0,0,0|0,0,1]=3 15032 B15R0.366 C=CCCSCCCCCCC(=O)OCC 62a_100000754431_100009814379 [0,2,0,0,0,0|0,0,1]=3 15033 B15R0.366 C=CCNCCCCCCCC(=O)OCC 2230a_100020586998_100009991516 [0,2,0,0,0,0|0,0,1]=3 15034 B15R0.366 C=CCOCCCCCCCC(=O)OCC 34a_200000210373_100009991516 [0,2,0,0,0,0|0,0,1]=3 15035 B15R0.366 C=CCOCCOCCCCC(=O)OCC 34a_100000037705_100000750268 [0,2,0,0,0,0|0,0,2]=4 15036 B15R0.366 C=CCOCCOCCCCC(=O)OCC 7a_100000037705_100000750268 [0,2,0,0,0,0|0,0,2]=4 15037 B15R0.366 C=CCSCCCCCCCC(=O)OCC 62a_100000210623_100009991516 [0,2,0,0,0,0|0,0,1]=3 15038 B15R0.366 C=COC(=O)CNCCCCCCCCC 2230a_100000212291_100000036128 [0,2,0,0,0,0|0,0,2]=4 15039 B15R0.366 C=COC(=O)CNCCCCCCCCC 34a_100000212291_100000036128 [0,2,0,0,0,0|0,0,2]=4 15040 B15R0.366 C=COC(=O)CNCCCCCCCCO 2230a_102515433106_100000036128 [0,2,0,0,0,0|0,0,2]=4 15041 B15R0.366 C=COC(=O)CNCCCCCCCCO 34a_102515433106_100000036128 [0,2,0,0,0,0|0,0,2]=4 15042 B15R0.366 C=COC(=O)COCCCCCCCCBr 34a_100009813846_100000036128 [0,2,0,0,0,0|0,0,2]=4 15043 B15R0.366 C=COC(=O)COCCCCCCCCC 34a_100000210712_100000036128 [0,2,0,0,0,0|0,0,2]=4 15044 B15R0.366 C=COC(=O)COCCCCCCCCCl 34a_100000033203_100000036128 [0,2,0,0,0,0|0,0,2]=4 15045 B15R0.366 C=COC(=O)COCCCCCCCCN 34a_102515433106_100000036128 [0,2,0,0,0,0|0,0,2]=4 15046 B15R0.366 C=COC(=O)COCCCCNCCCC 34a_200011216965_100000036128 [0,2,0,0,0,0|0,0,2]=4 15047 B15R0.366 C=COC(=O)COCCCCOCCCC 34a_200000760531_100000036128 [0,2,0,0,0,0|0,0,2]=4 15048 B15R0.366 C=COC(=O)COCCOCCCCCC 34a_100000691444_100000036128 [0,2,0,0,0,0|0,0,2]=4 15049 B15R0.366 C=COC(=O)CSCCCCCCCCC 62a_100000036128_100000210670 [0,2,0,0,0,0|0,0,2]=4 15050 B15R0.366 C=COC(=O)CSCCCCCCCCO 62a_100000033203_100000036128 [0,2,0,0,0,0|0,0,2]=4 15051 B15R0.366 C=COC(=O)CSCCCCCCCCO 62a_100000036128_100000033203 [0,2,0,0,0,0|0,0,2]=4 15052 B15R0.366 C=COCCCCOCCCC(=O)OCC 34a_100000031558_100009991533 [0,2,0,0,0,0|0,0,2]=4 15053 B15R0.366 C=COCCCCOCCCC(=O)OCC 7a_100000031558_100011215271 [0,2,0,0,0,0|0,0,2]=4 15054 B15R0.366 C=COCCCNCCCCC(=O)OCC 2230a_100000210767_100000750268 [0,2,0,0,0,0|0,0,2]=4 15055 B15R0.366 C=COCCCNCCCCC(=O)OCC 34a_100000210767_100000750268 [0,2,0,0,0,0|0,0,2]=4 15056 B15R0.366 C=COCCOCCCCCC(=O)OCC 34a_100000033082_100000755133 [0,2,0,0,0,0|0,0,2]=4 15057 B15R0.366 C=COCCOCCCCCC(=O)OCC 7a_100011214988_100000039644 [0,2,0,0,0,0|0,0,2]=4 15058 B15R0.366 C=COCCSCCCCCC(=O)OCC 62a_100000039644_100000755133 [0,2,0,0,0,0|0,0,2]=4 15059 B15R0.366 C=COCCSCCCCCC(=O)OCC 62a_100000755133_100000039644 [0,2,0,0,0,0|0,0,2]=4 15060 B15R0.366 CC#CC(=O)CCCCCCCCCCC 1458a_100000763181_100011215454 [0,2,0,0,0,0|1,0,1]=4 15061 B15R0.366 CC#CC(=O)CCCCCCCCCCO 1458a_100000763181_100009813290 [0,2,0,0,0,0|1,0,1]=4 15062 B15R0.366 CC#CCCOCCCCCC(=O)OCC 34a_100000750427_100000755133 [0,2,0,0,0,0|0,0,1]=3 15063 B15R0.366 CC#CCCOCCCOCC(=O)OCC 34a_100000750427_100009893628 [0,2,0,0,0,0|0,0,2]=4 15064 B15R0.366 CC#CCNCCCCCCC(=O)OCC 2230a_100000685387_100009814379 [0,2,0,0,0,0|0,0,1]=3 15065 B15R0.366 CC#CCNCCCCCCC(=O)OCC 34a_100000685387_100009814379 [0,2,0,0,0,0|0,0,1]=3 15066 B15R0.366 CC#CCOCCCCCCC(=O)OCC 34a_100000761923_100009814379 [0,2,0,0,0,0|0,0,1]=3 15067 B15R0.366 CC#CCSCCCCCCC(=O)OCC 62a_100000748600_100009814379 [0,2,0,0,0,0|0,0,1]=3 15068 B15R0.366 CC/C=C/CCCOCCCC(=O)OCC 34a_100016287902_100009991533 [0,2,0,0,0,0|0,0,1]=3 15069 B15R0.366 CC/C=C/CCCOCCCC(=O)OCC 7a_100016287902_100011215271 [0,2,0,0,0,0|0,0,1]=3 15070 B15R0.366 CC/C=C/CCCOCCNC(=O)OCC 7a_100016287902_200011445536 [0,2,0,0,0,0|0,0,2]=4 15071 B15R0.366 CC/C=C\CCCCCOCC(=O)CCC 7a_100016268722_100000747444 [0,2,0,0,0,0|1,0,1]=4 15072 B15R0.366 CC/C=C\CCCCCOCC(=O)NCC 34a_100016268722_100000183381 [0,2,0,0,0,0|1,0,1]=4 15073 B15R0.366 CC/C=C\CCCCCOCC(=O)NCC 7a_100016268722_100000183381 [0,2,0,0,0,0|1,0,1]=4 15074 B15R0.366 CC/C=C\CCCCCOCC(=O)OCC 34a_100016268722_100000188475 [0,2,0,0,0,0|0,0,1]=3 15075 B15R0.366 CC/C=C\CCCCCOCC(=O)OCC 7a_100016268722_100000188475 [0,2,0,0,0,0|0,0,1]=3 15076 B15R0.366 CC/C=C\CCCCOCCC(=O)NCC 7a_100016287862_100000737597 [0,2,0,0,0,0|1,0,1]=4 15077 B15R0.366 CC/C=C\CCCCOCCC(=O)OCC 34a_100016287862_100000765890 [0,2,0,0,0,0|0,0,1]=3 15078 B15R0.366 CC/C=C\CCCCOCCC(=O)OCC 7a_100016287862_100011206558 [0,2,0,0,0,0|0,0,1]=3 15079 B15R0.366 CC/C=C\CCOCCCCC(=O)OCC 34a_100016288707_100000750268 [0,2,0,0,0,0|0,0,1]=3 15080 B15R0.366 CC/C=C\CCOCCCCC(=O)OCC 7a_100016288707_100000750268 [0,2,0,0,0,0|0,0,1]=3 15081 B15R0.366 CC/C=C\CCOCCOCC(=O)OCC 34a_100016288707_100000088970 [0,2,0,0,0,0|0,0,2]=4 15082 B15R0.366 CC/C=C\CCOCCOCC(=O)OCC 7a_100016288707_100000088970 [0,2,0,0,0,0|0,0,2]=4 15083 B15R0.366 CC/C=C\CCOCCSCC(=O)OCC 7a_200000230590_100015370543 [0,2,0,0,0,0|0,0,2]=4 15084 B15R0.366 CC/C=C\CCSCCCCC(=O)OCC 62a_100000750268_100015370543 [0,2,0,0,0,0|0,0,1]=3 15085 B15R0.366 CC/C=C\CCSCCCCC(=O)OCC 62a_100015370543_100000750268 [0,2,0,0,0,0|0,0,1]=3 15086 B15R0.366 CC/C=C\CCSCCOCC(=O)OCC 62a_100000088970_100015370543 [0,2,0,0,0,0|0,0,2]=4 15087 B15R0.366 CC/C=C\CCSCCOCC(=O)OCC 62a_100015370543_100000088970 [0,2,0,0,0,0|0,0,2]=4 15088 B15R0.366 CC/C=C\COCCCCCC(=O)OCC 34a_100016268518_100000755133 [0,2,0,0,0,0|0,0,1]=3 15089 B15R0.366 CC/C=C\COCCCCCC(=O)OCC 7a_100011214988_100103147603 [0,2,0,0,0,0|0,0,1]=3 15090 B15R0.366 CC/C=C\COCCCOCC(=O)OCC 34a_100016268518_100009893628 [0,2,0,0,0,0|0,0,2]=4 15091 B15R0.366 CC/C=C\CSCCCCCC(=O)OCC 62a_100000755133_100103147603 [0,2,0,0,0,0|0,0,1]=3 15092 B15R0.366 CC/C=C\CSCCCCCC(=O)OCC 62a_100103147603_100000755133 [0,2,0,0,0,0|0,0,1]=3 15093 B15R0.366 CC/C=C\CSCCCOCC(=O)OCC 62a_100009893628_100103147603 [0,2,0,0,0,0|0,0,2]=4 15094 B15R0.366 CC/C=C\CSCCCOCC(=O)OCC 62a_100103147603_100009893628 [0,2,0,0,0,0|0,0,2]=4 15095 B15R0.366 CC=C=CCCOCCCCC(=O)OCC 34a_100011020354_100000750268 [0,2,0,0,0,0|0,0,2]=4 15096 B15R0.366 CC=CC(=O)CCCCCCCCCCC 1458a_100000210699_100011215454 [0,2,0,0,0,0|1,0,1]=4 15097 B15R0.366 CC=CC(=O)CCCCCCCCCCO 1458a_100000210699_100009813290 [0,2,0,0,0,0|1,0,1]=4 15098 B15R0.366 CC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000210699 [0,2,0,0,0,0|1,0,1]=4 15099 B15R0.366 CC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000210699 [0,2,0,0,0,0|1,0,1]=4 15100 B15R0.366 CC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000210699 [0,2,0,0,0,0|1,0,1]=4 15101 B15R0.366 CC=CC(=O)NCCCCCCCCCO 240690a_100000078944_100000210699 [0,2,0,0,0,0|1,0,1]=4 15102 B15R0.366 CC=CCCCOCCCCC(=O)OCC 34a_100020645299_100000750268 [0,2,0,0,0,0|0,0,1]=3 15103 B15R0.366 CC=CCCCOCCOCC(=O)OCC 34a_100020645299_100000088970 [0,2,0,0,0,0|0,0,2]=4 15104 B15R0.366 CC=CCSCCCCCCC(=O)OCC 62a_100000070051_100009814379 [0,2,0,0,0,0|0,0,1]=3 15105 B15R0.366 CCC#CCCOCCCCC(=O)OCC 34a_100000036655_100000750268 [0,2,0,0,0,0|0,0,1]=3 15106 B15R0.366 CCC#CCCOCCCCC(=O)OCC 7a_100000036655_100000750268 [0,2,0,0,0,0|0,0,1]=3 15107 B15R0.366 CCC#CCCOCCOCC(=O)OCC 34a_100000036655_100000088970 [0,2,0,0,0,0|0,0,2]=4 15108 B15R0.366 CCC#CCCOCCOCC(=O)OCC 7a_100000036655_100000088970 [0,2,0,0,0,0|0,0,2]=4 15109 B15R0.366 CCC#CCOCCCCCC(=O)OCC 34a_100000032950_100000755133 [0,2,0,0,0,0|0,0,1]=3 15110 B15R0.366 CCC#CCOCCCCCC(=O)OCC 7a_100011214988_100009813939 [0,2,0,0,0,0|0,0,1]=3 15111 B15R0.366 CCC#CCOCCCOCC(=O)OCC 34a_100000032950_100009893628 [0,2,0,0,0,0|0,0,2]=4 15112 B15R0.366 CCC#CCSCCCCCC(=O)OCC 62a_100000755133_100009813939 [0,2,0,0,0,0|0,0,1]=3 15113 B15R0.366 CCC#CCSCCCCCC(=O)OCC 62a_100009813939_100000755133 [0,2,0,0,0,0|0,0,1]=3 15114 B15R0.366 CCC#CCSCCCOCC(=O)OCC 62a_100009813939_100009893628 [0,2,0,0,0,0|0,0,2]=4 15115 B15R0.366 CCC#CCSCCCOCC(=O)OCC 62a_100009893628_100009813939 [0,2,0,0,0,0|0,0,2]=4 15116 B15R0.366 CCC/C=C/COCCCCC(=O)OCC 34a_100016278788_100000750268 [0,2,0,0,0,0|0,0,1]=3 15117 B15R0.366 CCC/C=C/COCCCCC(=O)OCC 7a_100016278788_100000750268 [0,2,0,0,0,0|0,0,1]=3 15118 B15R0.366 CCC/C=C/COCCOCC(=O)OCC 34a_100016278788_100000088970 [0,2,0,0,0,0|0,0,2]=4 15119 B15R0.366 CCC/C=C/COCCOCC(=O)OCC 7a_100016278788_100000088970 [0,2,0,0,0,0|0,0,2]=4 15120 B15R0.366 CCCC#CCCOCCCC(=O)OCC 34a_100000042726_100009991533 [0,2,0,0,0,0|0,0,1]=3 15121 B15R0.366 CCCC#CCCOCCCC(=O)OCC 7a_100000042726_100011215271 [0,2,0,0,0,0|0,0,1]=3 15122 B15R0.366 CCCC#CCCOCCNC(=O)OCC 7a_100000042726_200011445536 [0,2,0,0,0,0|0,0,2]=4 15123 B15R0.366 CCCC#CCOCCCCC(=O)OCC 34a_100000034806_100000750268 [0,2,0,0,0,0|0,0,1]=3 15124 B15R0.366 CCCC#CCOCCCCC(=O)OCC 7a_100000034806_100000750268 [0,2,0,0,0,0|0,0,1]=3 15125 B15R0.366 CCCC#CCOCCOCC(=O)OCC 34a_100000034806_100000088970 [0,2,0,0,0,0|0,0,2]=4 15126 B15R0.366 CCCC#CCOCCOCC(=O)OCC 7a_100000034806_100000088970 [0,2,0,0,0,0|0,0,2]=4 15127 B15R0.366 CCCC(=O)CCCCCCCCCCO 1458a_100000211992_100009813290 [0,2,0,0,0,0|1,0,0]=3 15128 B15R0.366 CCCC(=O)CNCCCCCCCCO 2230a_102515433106_100000747444 [0,2,0,0,0,0|1,0,0]=3 15129 B15R0.366 CCCC(=O)COCCCCCCCCBr 7a_100009813846_100000747444 [0,2,0,0,0,0|1,0,0]=3 15130 B15R0.366 CCCC(=O)COCCCCCCCCCl 7a_100000033203_100000747444 [0,2,0,0,0,0|1,0,0]=3 15131 B15R0.366 CCCC(=O)COCCCOCCCOC 7a_200011215475_100000747444 [0,2,0,0,0,0|2,0,0]=4 15132 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000033203_100000747444 [0,2,0,0,0,0|1,0,0]=3 15133 B15R0.366 CCCC(=O)CSCCCCCCCCO 62a_100000747444_100000033203 [0,2,0,0,0,0|1,0,0]=3 15134 B15R0.366 CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000211992 [0,2,0,0,0,0|1,0,0]=3 15135 B15R0.366 CCCC(=O)OCNCCCCCCCO 2230a_100011996573_100000034017 [0,2,0,0,0,0|2,0,0]=4 15136 B15R0.366 CCCC(=O)OCNCCCCCCCO 34a_100011996573_100000034017 [0,2,0,0,0,0|2,0,0]=4 15137 B15R0.366 CCCC(=O)OCOCCCCCCCBr 34a_100000760002_100000034017 [0,2,0,0,0,0|2,0,0]=4 15138 B15R0.366 CCCC(=O)OCOCCCCCCCN 34a_100011996573_100000034017 [0,2,0,0,0,0|2,0,0]=4 15139 B15R0.366 CCCC(=O)OCOCCCCCCOC 34a_200012092642_100000034017 [0,2,0,0,0,0|2,0,0]=4 15140 B15R0.366 CCCC(=O)OCSCCCCCCCO 62a_100000760002_100000034017 [0,2,0,0,0,0|2,0,0]=4 15141 B15R0.366 CCCC(=O)OCSCCCCCCOC 62a_100011998445_100000034017 [0,2,0,0,0,0|2,0,0]=4 15142 B15R0.366 CCCC/C=C/COCCCC(=O)OCC 34a_200016272032_100009991533 [0,2,0,0,0,0|0,0,1]=3 15143 B15R0.366 CCCC/C=C/COCCCC(=O)OCC 7a_200016272032_100011215271 [0,2,0,0,0,0|0,0,1]=3 15144 B15R0.366 CCCC/C=C/COCCNC(=O)OCC 7a_200016272032_200011445536 [0,2,0,0,0,0|0,0,2]=4 15145 B15R0.366 CCCC/C=C\CCOCCC(=O)NCC 7a_200016286491_100000737597 [0,2,0,0,0,0|1,0,1]=4 15146 B15R0.366 CCCC/C=C\CCOCCC(=O)OCC 34a_200016286491_100000765890 [0,2,0,0,0,0|0,0,1]=3 15147 B15R0.366 CCCC/C=C\CCOCCC(=O)OCC 7a_200016286491_100011206558 [0,2,0,0,0,0|0,0,1]=3 15148 B15R0.366 CCCCC#CCCCNCC(=O)NCC 2230a_100016988866_200000047210 [0,2,0,0,0,0|1,0,1]=4 15149 B15R0.366 CCCCC#CCCCSCC(=O)CCC 62a_100000747444_200000047210 [0,2,0,0,0,0|1,0,1]=4 15150 B15R0.366 CCCCC#CCCCSCC(=O)CCC 62a_200000047210_100000747444 [0,2,0,0,0,0|1,0,1]=4 15151 B15R0.366 CCCCC#CCCCSCC(=O)NCC 62a_100000183381_200000047210 [0,2,0,0,0,0|1,0,1]=4 15152 B15R0.366 CCCCC#CCCCSCC(=O)NCC 62a_200000047210_100000183381 [0,2,0,0,0,0|1,0,1]=4 15153 B15R0.366 CCCCC#CCCCSCC(=O)OCC 62a_100000188475_200000047210 [0,2,0,0,0,0|0,0,1]=3 15154 B15R0.366 CCCCC#CCCCSCC(=O)OCC 62a_200000047210_100000188475 [0,2,0,0,0,0|0,0,1]=3 15155 B15R0.366 CCCCC#CCCOCCC(=O)NCC 7a_100000037610_100000737597 [0,2,0,0,0,0|1,0,1]=4 15156 B15R0.366 CCCCC#CCCOCCC(=O)OCC 34a_100000037610_100000765890 [0,2,0,0,0,0|0,0,1]=3 15157 B15R0.366 CCCCC#CCCOCCC(=O)OCC 7a_100000037610_100011206558 [0,2,0,0,0,0|0,0,1]=3 15158 B15R0.366 CCCCC#CCOCCCC(=O)OCC 34a_200000034558_100009991533 [0,2,0,0,0,0|0,0,1]=3 15159 B15R0.366 CCCCC#CCOCCCC(=O)OCC 7a_200000034558_100011215271 [0,2,0,0,0,0|0,0,1]=3 15160 B15R0.366 CCCCC#CCOCCNC(=O)OCC 7a_200000034558_200011445536 [0,2,0,0,0,0|0,0,2]=4 15161 B15R0.366 CCCCC/C=C/COCCC(=O)NCC 7a_100016258190_100000737597 [0,2,0,0,0,0|1,0,1]=4 15162 B15R0.366 CCCCC/C=C/COCCC(=O)OCC 34a_100016258190_100000765890 [0,2,0,0,0,0|0,0,1]=3 15163 B15R0.366 CCCCC/C=C/COCCC(=O)OCC 7a_100016258190_100011206558 [0,2,0,0,0,0|0,0,1]=3 15164 B15R0.366 CCCCC/C=C\CCOCC(=O)CCC 7a_100016277358_100000747444 [0,2,0,0,0,0|1,0,1]=4 15165 B15R0.366 CCCCC/C=C\CCOCC(=O)NCC 34a_100016277358_100000183381 [0,2,0,0,0,0|1,0,1]=4 15166 B15R0.366 CCCCC/C=C\CCOCC(=O)NCC 7a_100016277358_100000183381 [0,2,0,0,0,0|1,0,1]=4 15167 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 34a_100016277358_100000188475 [0,2,0,0,0,0|0,0,1]=3 15168 B15R0.366 CCCCC/C=C\CCOCC(=O)OCC 7a_100016277358_100000188475 [0,2,0,0,0,0|0,0,1]=3 15169 B15R0.366 CCCCCC#CCCOCC(=O)CCC 7a_200000042877_100000747444 [0,2,0,0,0,0|1,0,1]=4 15170 B15R0.366 CCCCCC#CCCOCC(=O)NCC 34a_200000042877_100000183381 [0,2,0,0,0,0|1,0,1]=4 15171 B15R0.366 CCCCCC#CCCOCC(=O)NCC 7a_200000042877_100000183381 [0,2,0,0,0,0|1,0,1]=4 15172 B15R0.366 CCCCCC#CCCOCC(=O)OCC 34a_200000042877_100000188475 [0,2,0,0,0,0|0,0,1]=3 15173 B15R0.366 CCCCCC#CCCOCC(=O)OCC 7a_200000042877_100000188475 [0,2,0,0,0,0|0,0,1]=3 15174 B15R0.366 CCCCCC#CCNCCC(=O)NCC 34a_100025743525_100009816472 [0,2,0,0,0,0|1,0,1]=4 15175 B15R0.366 CCCCCC#CCOCCC(=O)NCC 7a_200000033628_100000737597 [0,2,0,0,0,0|1,0,1]=4 15176 B15R0.366 CCCCCC#CCOCCC(=O)OCC 34a_200000033628_100000765890 [0,2,0,0,0,0|0,0,1]=3 15177 B15R0.366 CCCCCC#CCOCCC(=O)OCC 7a_200000033628_100011206558 [0,2,0,0,0,0|0,0,1]=3 15178 B15R0.366 CCCCCC#CCSCCC(=O)NCC 62a_100000737597_100009816472 [0,2,0,0,0,0|1,0,1]=4 15179 B15R0.366 CCCCCC#CCSCCC(=O)NCC 62a_100009816472_100000737597 [0,2,0,0,0,0|1,0,1]=4 15180 B15R0.366 CCCCCC#CCSCCC(=O)OCC 62a_100000765890_100009816472 [0,2,0,0,0,0|0,0,1]=3 15181 B15R0.366 CCCCCC#CCSCCC(=O)OCC 62a_100009816472_100000765890 [0,2,0,0,0,0|0,0,1]=3 15182 B15R0.366 CCCCCC#CCSCOC(=O)OCC 62a_100009816472_100000075025 [0,2,0,0,0,0|0,0,2]=4 15183 B15R0.366 CCCCCC/C=C/COCC(=O)CCC 7a_200016276170_100000747444 [0,2,0,0,0,0|1,0,1]=4 15184 B15R0.366 CCCCCC/C=C/COCC(=O)NCC 34a_200016276170_100000183381 [0,2,0,0,0,0|1,0,1]=4 15185 B15R0.366 CCCCCC/C=C/COCC(=O)NCC 7a_200016276170_100000183381 [0,2,0,0,0,0|1,0,1]=4 15186 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 34a_200016276170_100000188475 [0,2,0,0,0,0|0,0,1]=3 15187 B15R0.366 CCCCCC/C=C/COCC(=O)OCC 7a_200016276170_100000188475 [0,2,0,0,0,0|0,0,1]=3 15188 B15R0.366 CCCCCCC#CCOCC(=O)CCC 7a_200000037284_100000747444 [0,2,0,0,0,0|1,0,1]=4 15189 B15R0.366 CCCCCCC#CCOCC(=O)NCC 34a_200000037284_100000183381 [0,2,0,0,0,0|1,0,1]=4 15190 B15R0.366 CCCCCCC#CCOCC(=O)NCC 7a_200000037284_100000183381 [0,2,0,0,0,0|1,0,1]=4 15191 B15R0.366 CCCCCCC#CCOCC(=O)OCC 34a_200000037284_100000188475 [0,2,0,0,0,0|0,0,1]=3 15192 B15R0.366 CCCCCCC#CCOCC(=O)OCC 7a_200000037284_100000188475 [0,2,0,0,0,0|0,0,1]=3 15193 B15R0.366 CCCCCCCCC=NNC(=O)CCC 4a_100000189770_100011218696 [0,2,0,0,0,0|1,0,1]=4 15194 B15R0.366 CCCCCCCCCC=CC(=O)CCC 1458a_200015352897_100000210303 [0,2,0,0,0,0|1,0,0]=3 15195 B15R0.366 CCCCCCCCCC=CC(=O)CCF 1458a_200015352897_100011217306 [0,2,0,0,0,0|2,0,0]=4 15196 B15R0.366 CCCCCCCCCC=CC(=O)CCO 1458a_200015352897_100000211926 [0,2,0,0,0,0|2,0,0]=4 15197 B15R0.366 CCCCCCCCCC=CC(=O)NCC 11a_100015525214_200015352897 [0,2,0,0,0,0|1,0,0]=3 15198 B15R0.366 CCCCCCCCCC=CC(=O)NCC 240690a_100015525214_200015352897 [0,2,0,0,0,0|1,0,0]=3 15199 B15R0.366 CCCCCCCCCC=CC(=O)NNC 22a_100016993582_200015352897 [0,2,0,0,0,0|2,0,0]=4 15200 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000210736_100000210303 [0,2,0,0,0,0|1,0,0]=3 15201 B15R0.366 CCCCCCCCCCCC(=O)CCC 1458a_100000211992_100011215454 [0,2,0,0,0,0|1,0,0]=3 15202 B15R0.366 CCCCCCCCCCCC(=O)CCF 1458a_100000210736_100011217306 [0,2,0,0,0,0|2,0,0]=4 15203 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100000210736_100000211926 [0,2,0,0,0,0|2,0,0]=4 15204 B15R0.366 CCCCCCCCCCCC(=O)CCO 1458a_100011216618_100011215454 [0,2,0,0,0,0|2,0,0]=4 15205 B15R0.366 CCCCCCCCCCCC(=O)COC 1458a_100000210968_100011215454 [0,2,0,0,0,0|2,0,0]=4 15206 B15R0.366 CCCCCCCCCCCC(=O)CSC 1458a_100000184570_100011215454 [0,2,0,0,0,0|2,0,0]=4 15207 B15R0.366 CCCCCCCCCCCC(=O)NCC 11a_100015525214_100000210736 [0,2,0,0,0,0|1,0,0]=3 15208 B15R0.366 CCCCCCCCCCCC(=O)NCC 240690a_100015525214_100000210736 [0,2,0,0,0,0|1,0,0]=3 15209 B15R0.366 CCCCCCCCCCCC(=O)NNC 22a_100016993582_100000210736 [0,2,0,0,0,0|2,0,0]=4 15210 B15R0.366 CCCCCCCCCCCC(C)OCC 34a_100011217895_100000210202 [0,2,0,0,0,0|1,0,1]=4 15211 B15R0.366 CCCCCCCCCCCC(C)OCC 7a_100011217895_100000210202 [0,2,0,0,0,0|1,0,1]=4 15212 B15R0.366 CCCCCCCCCCNC(=O)CCC 11a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 15213 B15R0.366 CCCCCCCCCCNC(=O)CCC 1626a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 15214 B15R0.366 CCCCCCCCCCNC(=O)CCC 240690a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 15215 B15R0.366 CCCCCCCCCCNC(=O)CCC 527a_100000684558_100000211992 [0,2,0,0,0,0|1,0,0]=3 15216 B15R0.366 CCCCCCCCCCNC(=O)CCO 240690a_100000684558_100011216618 [0,2,0,0,0,0|2,0,0]=4 15217 B15R0.366 CCCCCCCCCCNC(=O)COC 11a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 15218 B15R0.366 CCCCCCCCCCNC(=O)COC 1626a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 15219 B15R0.366 CCCCCCCCCCNC(=O)COC 240690a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 15220 B15R0.366 CCCCCCCCCCNC(=O)COC 527a_100000684558_100000210968 [0,2,0,0,0,0|2,0,0]=4 15221 B15R0.366 CCCCCCCCCCNC(=O)CSC 11a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 15222 B15R0.366 CCCCCCCCCCNC(=O)CSC 1626a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 15223 B15R0.366 CCCCCCCCCCNC(=O)CSC 240690a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 15224 B15R0.366 CCCCCCCCCCNC(=O)CSC 527a_100000684558_100000184570 [0,2,0,0,0,0|2,0,0]=4 15225 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100000684558_100015525214 [0,2,0,0,0,0|1,0,0]=3 15226 B15R0.366 CCCCCCCCCCNC(=O)NCC 2708a_100015525214_100000684558 [0,2,0,0,0,0|1,0,0]=3 15227 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100000684558_100015525214 [0,2,0,0,0,0|1,0,0]=3 15228 B15R0.366 CCCCCCCCCCNC(=O)NCC 273464a_100015525214_100000684558 [0,2,0,0,0,0|1,0,0]=3 15229 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100000684558_100015525214 [0,2,0,0,0,0|1,0,0]=3 15230 B15R0.366 CCCCCCCCCCNC(=O)NCC 512a_100015525214_100000684558 [0,2,0,0,0,0|1,0,0]=3 15231 B15R0.366 CCCCCCCCCCNC(=O)NNC 273464a_100000684558_100016993582 [0,2,0,0,0,0|2,0,0]=4 15232 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100000684558_100016993582 [0,2,0,0,0,0|2,0,0]=4 15233 B15R0.366 CCCCCCCCCCNC(=O)NNC 512a_100016993582_100000684558 [0,2,0,0,0,0|2,0,0]=4 15234 B15R0.366 CCCCCCCCCCOC(=O)CNC 2230a_106832991635_100000210668 [0,2,0,0,0,0|2,0,0]=4 15235 B15R0.366 CCCCCCCCCCOC(=O)CNC 34a_100102657272_100000210668 [0,2,0,0,0,0|2,0,0]=4 15236 B15R0.366 CCCCCCCCCCOC(=O)CNC 7a_106832991635_100000210668 [0,2,0,0,0,0|2,0,0]=4 15237 B15R0.366 CCCCCCCCCCOC(=O)COC 34a_100138415774_100000210668 [0,2,0,0,0,0|2,0,0]=4 15238 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_100000680656_200000210301 [0,2,0,0,0,0|2,0,0]=4 15239 B15R0.366 CCCCCCCCCCOC(=O)CSC 62a_200000210301_100000680656 [0,2,0,0,0,0|2,0,0]=4 15240 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_100000680656_200025704644 [0,2,0,0,0,0|2,0,0]=4 15241 B15R0.366 CCCCCCCCCCOC(=O)CS[13CH3] 62a_200025704644_100000680656 [0,2,0,0,0,0|2,0,0]=4 15242 B15R0.366 CCCCCCCCCNCC(=O)CCC 2230a_100000212291_100000747444 [0,2,0,0,0,0|1,0,0]=3 15243 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100000212291_100000183381 [0,2,0,0,0,0|1,0,0]=3 15244 B15R0.366 CCCCCCCCCNCC(=O)NCC 2230a_100016988866_100011214924 [0,2,0,0,0,0|1,0,0]=3 15245 B15R0.366 CCCCCCCCCNCC(=O)NCC 34a_100000212291_100000183381 [0,2,0,0,0,0|1,0,0]=3 15246 B15R0.366 CCCCCCCCCNCC(=O)NCO 2230a_100000212291_100000185155 [0,2,0,0,0,0|2,0,0]=4 15247 B15R0.366 CCCCCCCCCNCC(=O)NCO 34a_100000212291_100000185155 [0,2,0,0,0,0|2,0,0]=4 15248 B15R0.366 CCCCCCCCCNCC(=O)OCC 2230a_100000212291_100000188475 [0,2,0,0,0,0|0,0,0]=2 15249 B15R0.366 CCCCCCCCCNCC(=O)OCC 34a_100000212291_100000188475 [0,2,0,0,0,0|0,0,0]=2 15250 B15R0.366 CCCCCCCCCOCC(=O)CCC 7a_100000210712_100000747444 [0,2,0,0,0,0|1,0,0]=3 15251 B15R0.366 CCCCCCCCCOCC(=O)NCC 34a_100000210712_100000183381 [0,2,0,0,0,0|1,0,0]=3 15252 B15R0.366 CCCCCCCCCOCC(=O)NCC 7a_100000210712_100000183381 [0,2,0,0,0,0|1,0,0]=3 15253 B15R0.366 CCCCCCCCCOCC(=O)NCO 34a_100000210712_100000185155 [0,2,0,0,0,0|2,0,0]=4 15254 B15R0.366 CCCCCCCCCOCC(=O)NCO 7a_100000210712_100000185155 [0,2,0,0,0,0|2,0,0]=4 15255 B15R0.366 CCCCCCCCCOCC(=O)OCC 34a_100000210712_100000188475 [0,2,0,0,0,0|0,0,0]=2 15256 B15R0.366 CCCCCCCCCOCC(=O)OCC 7a_100000210712_100000188475 [0,2,0,0,0,0|0,0,0]=2 15257 B15R0.366 CCCCCCCCCSCC(=O)CCC 62a_100000747444_100000210670 [0,2,0,0,0,0|1,0,0]=3 15258 B15R0.366 CCCCCCCCCSCC(=O)NCC 62a_100000183381_100000210670 [0,2,0,0,0,0|1,0,0]=3 15259 B15R0.366 CCCCCCCCCSCC(=O)NCO 62a_100000185155_100000210670 [0,2,0,0,0,0|2,0,0]=4 15260 B15R0.366 CCCCCCCCCSCC(=O)OCC 62a_100000188475_100000210670 [0,2,0,0,0,0|0,0,0]=2 15261 B15R0.366 CCCCCCCCNCCC(=O)NCC 2230a_100000229939_100000737597 [0,2,0,0,0,0|1,0,0]=3 15262 B15R0.366 CCCCCCCCNCCC(=O)NCC 34a_100025743525_100000210759 [0,2,0,0,0,0|1,0,0]=3 15263 B15R0.366 CCCCCCCCNCCC(=O)OCC 2230a_100000229939_100011206558 [0,2,0,0,0,0|0,0,0]=2 15264 B15R0.366 CCCCCCCCNCCC(=O)OCC 34a_100000229939_100000765890 [0,2,0,0,0,0|0,0,0]=2 15265 B15R0.366 CCCCCCCCNCOC(=O)CCC 2230a_100000229939_100000034017 [0,2,0,0,0,0|1,0,0]=3 15266 B15R0.366 CCCCCCCCNCOC(=O)CCC 34a_100000229939_100000034017 [0,2,0,0,0,0|1,0,0]=3 15267 B15R0.366 CCCCCCCCOCCC(=O)NCC 7a_100000210232_100000737597 [0,2,0,0,0,0|1,0,0]=3 15268 B15R0.366 CCCCCCCCOCCC(=O)OCC 34a_100000210232_100000765890 [0,2,0,0,0,0|0,0,0]=2 15269 B15R0.366 CCCCCCCCOCCC(=O)OCC 7a_100000210232_100011206558 [0,2,0,0,0,0|0,0,0]=2 15270 B15R0.366 CCCCCCCCOCOC(=O)CCC 34a_100000210232_100000034017 [0,2,0,0,0,0|1,0,0]=3 15271 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000210759_100000737597 [0,2,0,0,0,0|1,0,0]=3 15272 B15R0.366 CCCCCCCCSCCC(=O)NCC 62a_100000737597_100000210317 [0,2,0,0,0,0|1,0,0]=3 15273 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000210759_100000765890 [0,2,0,0,0,0|0,0,0]=2 15274 B15R0.366 CCCCCCCCSCCC(=O)OCC 62a_100000765890_100000210317 [0,2,0,0,0,0|0,0,0]=2 15275 B15R0.366 CCCCCCCCSCOC(=O)CCC 62a_100000210759_100000034017 [0,2,0,0,0,0|1,0,0]=3 15276 B15R0.366 CCCCCCCCSCOC(=O)OCC 62a_100000210759_100000075025 [0,2,0,0,0,0|0,0,0]=2 15277 B15R0.366 CCCCCCCNC/C=C/C(=O)OCC 2230a_100000229938_100016267167 [0,2,0,0,0,0|0,0,1]=3 15278 B15R0.366 CCCCCCCNCCCC(=O)OCC 2230a_100000229938_100009991533 [0,2,0,0,0,0|0,0,0]=2 15279 B15R0.366 CCCCCCCOC/C=C/C(=O)OCC 34a_100000210272_100016267167 [0,2,0,0,0,0|0,0,1]=3 15280 B15R0.366 CCCCCCCOC/C=C/C(=O)OCC 7a_100000210272_100016267167 [0,2,0,0,0,0|0,0,1]=3 15281 B15R0.366 CCCCCCCOCCCC(=O)OCC 34a_100000210272_100009991533 [0,2,0,0,0,0|0,0,0]=2 15282 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100000210272_100011215271 [0,2,0,0,0,0|0,0,0]=2 15283 B15R0.366 CCCCCCCOCCCC(=O)OCC 7a_100012001163_100000210614 [0,2,0,0,0,0|0,0,0]=2 15284 B15R0.366 CCCCCCCOCCNC(=O)OCC 34a_100000158857_100000210614 [0,2,0,0,0,0|0,0,0]=2 15285 B15R0.366 CCCCCCCOCCNC(=O)OCC 7a_100000210272_200011445536 [0,2,0,0,0,0|0,0,0]=2 15286 B15R0.366 CCCCCCCSC/C=C/C(=O)OCC 62a_100000210614_100016267167 [0,2,0,0,0,0|0,0,1]=3 15287 B15R0.366 CCCCCCCSC/C=C/C(=O)OCC 62a_100016267167_100000210316 [0,2,0,0,0,0|0,0,1]=3 15288 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100000210614_100009991533 [0,2,0,0,0,0|0,0,0]=2 15289 B15R0.366 CCCCCCCSCCCC(=O)OCC 62a_100009991533_100000210316 [0,2,0,0,0,0|0,0,0]=2 15290 B15R0.366 CCCCCCCSCCNC(=O)OCC 62a_100000210614_200011445536 [0,2,0,0,0,0|0,0,0]=2 15291 B15R0.366 CCCCCCNCCCCC(=O)OCC 2230a_100000210581_100000750268 [0,2,0,0,0,0|0,0,0]=2 15292 B15R0.366 CCCCCCNCCOCC(=O)OCC 2230a_100000210581_100000088970 [0,2,0,0,0,0|0,0,0]=2 15293 B15R0.366 CCCCCCOCCCCC(=O)OCC 34a_100000210259_100000750268 [0,2,0,0,0,0|0,0,0]=2 15294 B15R0.366 CCCCCCOCCCCC(=O)OCC 7a_100000210259_100000750268 [0,2,0,0,0,0|0,0,0]=2 15295 B15R0.366 CCCCCCOCCOCC(=O)CCC 7a_100000691444_100000747444 [0,2,0,0,0,0|1,0,0]=3 15296 B15R0.366 CCCCCCOCCOCC(=O)NCC 34a_100000691444_100000183381 [0,2,0,0,0,0|1,0,0]=3 15297 B15R0.366 CCCCCCOCCOCC(=O)NCC 7a_100000691444_100000183381 [0,2,0,0,0,0|1,0,0]=3 15298 B15R0.366 CCCCCCOCCOCC(=O)NCO 34a_100000691444_100000185155 [0,2,0,0,0,0|2,0,0]=4 15299 B15R0.366 CCCCCCOCCOCC(=O)NCO 7a_100000691444_100000185155 [0,2,0,0,0,0|2,0,0]=4 15300 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000210259_100000088970 [0,2,0,0,0,0|0,0,0]=2 15301 B15R0.366 CCCCCCOCCOCC(=O)OCC 34a_100000691444_100000188475 [0,2,0,0,0,0|0,0,0]=2 15302 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000210259_100000088970 [0,2,0,0,0,0|0,0,0]=2 15303 B15R0.366 CCCCCCOCCOCC(=O)OCC 7a_100000691444_100000188475 [0,2,0,0,0,0|0,0,0]=2 15304 B15R0.366 CCCCCCOCCSCC(=O)OCC 7a_200000230590_100000210314 [0,2,0,0,0,0|0,0,0]=2 15305 B15R0.366 CCCCCCSCC=NNC(=O)OCC 62a_100000210314_100015372823 [0,2,0,0,0,0|1,0,1]=4 15306 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000210314_100000750268 [0,2,0,0,0,0|0,0,0]=2 15307 B15R0.366 CCCCCCSCCCCC(=O)OCC 62a_100000750268_100000210757 [0,2,0,0,0,0|0,0,0]=2 15308 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000088970_100000210757 [0,2,0,0,0,0|0,0,0]=2 15309 B15R0.366 CCCCCCSCCOCC(=O)OCC 62a_100000210314_100000088970 [0,2,0,0,0,0|0,0,0]=2 15310 B15R0.366 CCCCCNCCCCCC(=O)OCC 2230a_100000209983_100000755133 [0,2,0,0,0,0|0,0,0]=2 15311 B15R0.366 CCCCCNCCCOCC(=O)OCC 2230a_100000209983_100009893628 [0,2,0,0,0,0|0,0,0]=2 15312 B15R0.366 CCCCCNCCOCCC(=O)OCC 34a_100000224656_100000765890 [0,2,0,0,0,0|0,0,0]=2 15313 B15R0.366 CCCCCNCCOCOC(=O)CCC 34a_100000224656_100000034017 [0,2,0,0,0,0|2,0,0]=4 15314 B15R0.366 CCCCCOCCCCCC(=O)OCC 34a_100000210253_100000755133 [0,2,0,0,0,0|0,0,0]=2 15315 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100000210253_100000755133 [0,2,0,0,0,0|0,0,0]=2 15316 B15R0.366 CCCCCOCCCCCC(=O)OCC 7a_100011214988_100000210326 [0,2,0,0,0,0|0,0,0]=2 15317 B15R0.366 CCCCCOCCCOCC(=O)OCC 34a_100000210253_100009893628 [0,2,0,0,0,0|0,0,0]=2 15318 B15R0.366 CCCCCOCCCOCC(=O)OCC 7a_100000210253_100009893628 [0,2,0,0,0,0|0,0,0]=2 15319 B15R0.366 CCCCCOCCOCCC(=O)NCC 7a_100011215259_100000737597 [0,2,0,0,0,0|1,0,0]=3 15320 B15R0.366 CCCCCOCCOCCC(=O)OCC 34a_100011215259_100000765890 [0,2,0,0,0,0|0,0,0]=2 15321 B15R0.366 CCCCCOCCOCCC(=O)OCC 7a_100011215259_100011206558 [0,2,0,0,0,0|0,0,0]=2 15322 B15R0.366 CCCCCOCCOCOC(=O)CCC 34a_100011215259_100000034017 [0,2,0,0,0,0|2,0,0]=4 15323 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000210326_100000755133 [0,2,0,0,0,0|0,0,0]=2 15324 B15R0.366 CCCCCSCCCCCC(=O)OCC 62a_100000755133_100000210326 [0,2,0,0,0,0|0,0,0]=2 15325 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100000210326_100009893628 [0,2,0,0,0,0|0,0,0]=2 15326 B15R0.366 CCCCCSCCCOCC(=O)OCC 62a_100009893628_100000210326 [0,2,0,0,0,0|0,0,0]=2 15327 B15R0.366 CCCCNCCCCCCC(=O)OCC 2230a_100000102301_100009814379 [0,2,0,0,0,0|0,0,0]=2 15328 B15R0.366 CCCCNCCCCCCC(=O)OCC 7a_106832991798_100009814379 [0,2,0,0,0,0|0,0,0]=2 15329 B15R0.366 CCCCNCCCCOCC(=O)NCC 34a_200011216965_100000183381 [0,2,0,0,0,0|1,0,0]=3 15330 B15R0.366 CCCCNCCCCOCC(=O)NCO 34a_200011216965_100000185155 [0,2,0,0,0,0|2,0,0]=4 15331 B15R0.366 CCCCNCCCCOCC(=O)OCC 34a_200011216965_100000188475 [0,2,0,0,0,0|0,0,0]=2 15332 B15R0.366 CCCCNN=CCCCCC(=O)OCC 4a_100025702795_100012182868 [0,2,0,0,0,0|0,0,1]=3 15333 B15R0.366 CCCCOCCCCCCC(=O)OCC 34a_100000210227_100009814379 [0,2,0,0,0,0|0,0,0]=2 15334 B15R0.366 CCCCOCCCCCCC(=O)OCC 7a_100000210227_100009814379 [0,2,0,0,0,0|0,0,0]=2 15335 B15R0.366 CCCCOCCCCOCC(=O)CCC 7a_200000760531_100000747444 [0,2,0,0,0,0|1,0,0]=3 15336 B15R0.366 CCCCOCCCCOCC(=O)NCC 34a_200000760531_100000183381 [0,2,0,0,0,0|1,0,0]=3 15337 B15R0.366 CCCCOCCCCOCC(=O)NCC 7a_200000760531_100000183381 [0,2,0,0,0,0|1,0,0]=3 15338 B15R0.366 CCCCOCCCCOCC(=O)NCO 34a_200000760531_100000185155 [0,2,0,0,0,0|2,0,0]=4 15339 B15R0.366 CCCCOCCCCOCC(=O)NCO 7a_200000760531_100000185155 [0,2,0,0,0,0|2,0,0]=4 15340 B15R0.366 CCCCOCCCCOCC(=O)OCC 34a_200000760531_100000188475 [0,2,0,0,0,0|0,0,0]=2 15341 B15R0.366 CCCCOCCCCOCC(=O)OCC 7a_200000760531_100000188475 [0,2,0,0,0,0|0,0,0]=2 15342 B15R0.366 CCCCOCCCNCCC(=O)NCC 2230a_200000211371_100000737597 [0,2,0,0,0,0|1,0,0]=3 15343 B15R0.366 CCCCOCCCNCCC(=O)OCC 2230a_200000211371_100011206558 [0,2,0,0,0,0|0,0,0]=2 15344 B15R0.366 CCCCOCCCNCCC(=O)OCC 34a_200000211371_100000765890 [0,2,0,0,0,0|0,0,0]=2 15345 B15R0.366 CCCCOCCCNCOC(=O)CCC 2230a_200000211371_100000034017 [0,2,0,0,0,0|2,0,0]=4 15346 B15R0.366 CCCCOCCCNCOC(=O)CCC 34a_200000211371_100000034017 [0,2,0,0,0,0|2,0,0]=4 15347 B15R0.366 CCCCOCCCOCCC(=O)NCC 7a_200011215613_100000737597 [0,2,0,0,0,0|1,0,0]=3 15348 B15R0.366 CCCCOCCCOCCC(=O)OCC 34a_200011215613_100000765890 [0,2,0,0,0,0|0,0,0]=2 15349 B15R0.366 CCCCOCCCOCCC(=O)OCC 7a_200011215613_100011206558 [0,2,0,0,0,0|0,0,0]=2 15350 B15R0.366 CCCCOCCCOCOC(=O)CCC 34a_200011215613_100000034017 [0,2,0,0,0,0|2,0,0]=4 15351 B15R0.366 CCCCOCCOC/C=C/C(=O)OCC 34a_100000210238_100016267167 [0,2,0,0,0,0|0,0,2]=4 15352 B15R0.366 CCCCOCCOC/C=C/C(=O)OCC 7a_100000210238_100016267167 [0,2,0,0,0,0|0,0,2]=4 15353 B15R0.366 CCCCOCCOCCCC(=O)OCC 34a_100000210238_100009991533 [0,2,0,0,0,0|0,0,0]=2 15354 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100000210238_100011215271 [0,2,0,0,0,0|0,0,0]=2 15355 B15R0.366 CCCCOCCOCCCC(=O)OCC 7a_100012001163_100000743108 [0,2,0,0,0,0|0,0,0]=2 15356 B15R0.366 CCCCOCCOCCNC(=O)OCC 34a_100000158857_100000743108 [0,2,0,0,0,0|1,0,0]=3 15357 B15R0.366 CCCCOCCOCCNC(=O)OCC 7a_100000210238_200011445536 [0,2,0,0,0,0|1,0,0]=3 15358 B15R0.366 CCCCOCCSC/C=C/C(=O)OCC 62a_100000743108_100016267167 [0,2,0,0,0,0|0,0,2]=4 15359 B15R0.366 CCCCOCCSC/C=C/C(=O)OCC 62a_100016267167_100000743108 [0,2,0,0,0,0|0,0,2]=4 15360 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100000743108_100009991533 [0,2,0,0,0,0|0,0,0]=2 15361 B15R0.366 CCCCOCCSCCCC(=O)OCC 62a_100009991533_100000743108 [0,2,0,0,0,0|0,0,0]=2 15362 B15R0.366 CCCCOCCSCCNC(=O)OCC 62a_100000743108_200011445536 [0,2,0,0,0,0|1,0,0]=3 15363 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100000750268_100011995733 [0,2,0,0,0,0|0,0,0]=2 15364 B15R0.366 CCCCOCSCCCCC(=O)OCC 62a_100011995733_100000750268 [0,2,0,0,0,0|0,0,0]=2 15365 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100000088970_100011995733 [0,2,0,0,0,0|1,0,0]=3 15366 B15R0.366 CCCCOCSCCOCC(=O)OCC 62a_100011995733_100000088970 [0,2,0,0,0,0|1,0,0]=3 15367 B15R0.366 CCCCSCCCCCCC(=O)OCC 62a_100000210211_100009814379 [0,2,0,0,0,0|0,0,0]=2 15368 B15R0.366 CCCCSCCNC/C=C/C(=O)OCC 2230a_100025743550_100016267167 [0,2,0,0,0,0|0,0,2]=4 15369 B15R0.366 CCCCSCCNCCCC(=O)OCC 2230a_100025743550_100009991533 [0,2,0,0,0,0|0,0,0]=2 15370 B15R0.366 CCCCSCCOC/C=C/C(=O)OCC 34a_200000230436_100016267167 [0,2,0,0,0,0|0,0,2]=4 15371 B15R0.366 CCCCSCCOC/C=C/C(=O)OCC 7a_200000230436_100016267167 [0,2,0,0,0,0|0,0,2]=4 15372 B15R0.366 CCCCSCCOCCCC(=O)OCC 34a_200000230436_100009991533 [0,2,0,0,0,0|0,0,0]=2 15373 B15R0.366 CCCCSCCOCCCC(=O)OCC 7a_200000230436_100011215271 [0,2,0,0,0,0|0,0,0]=2 15374 B15R0.366 CCCCSCCOCCNC(=O)OCC 7a_200000230436_200011445536 [0,2,0,0,0,0|1,0,0]=3 15375 B15R0.366 CCCNN=CCCCCCC(=O)OCC 4a_100000740057_100000085164 [0,2,0,0,0,0|0,0,1]=3 15376 B15R0.366 CCCOCCCCCCCC(=O)OCC 34a_100000210258_100009991516 [0,2,0,0,0,0|0,0,0]=2 15377 B15R0.366 CCCOCCCNC/C=C/C(=O)OCC 2230a_100011217757_100016267167 [0,2,0,0,0,0|0,0,2]=4 15378 B15R0.366 CCCOCCCNC/C=C/C(=O)OCC 34a_100011217757_100016267167 [0,2,0,0,0,0|0,0,2]=4 15379 B15R0.366 CCCOCCCNCCCC(=O)OCC 2230a_100011217757_100009991533 [0,2,0,0,0,0|0,0,0]=2 15380 B15R0.366 CCCOCCCNCCCC(=O)OCC 34a_100011217757_100009991533 [0,2,0,0,0,0|0,0,0]=2 15381 B15R0.366 CCCOCCNCCCCC(=O)OCC 2230a_100161115042_100000750268 [0,2,0,0,0,0|0,0,0]=2 15382 B15R0.366 CCCOCCNCCCCC(=O)OCC 34a_100161115042_100000750268 [0,2,0,0,0,0|0,0,0]=2 15383 B15R0.366 CCCOCCNCCOCC(=O)OCC 2230a_100161115042_100000088970 [0,2,0,0,0,0|1,0,0]=3 15384 B15R0.366 CCCOCCNCCOCC(=O)OCC 34a_100161115042_100000088970 [0,2,0,0,0,0|1,0,0]=3 15385 B15R0.366 CCCOCCOCCCCC(=O)OCC 34a_100000752267_100000750268 [0,2,0,0,0,0|0,0,0]=2 15386 B15R0.366 CCCOCCOCCCCC(=O)OCC 7a_100000752267_100000750268 [0,2,0,0,0,0|0,0,0]=2 15387 B15R0.366 CCCOCCOCCNCC(=O)CCC 2230a_200011904461_100000747444 [0,2,0,0,0,0|2,0,0]=4 15388 B15R0.366 CCCOCCOCCNCC(=O)NCC 2230a_200011904461_100000183381 [0,2,0,0,0,0|2,0,0]=4 15389 B15R0.366 CCCOCCOCCNCC(=O)NCC 34a_200011904461_100000183381 [0,2,0,0,0,0|2,0,0]=4 15390 B15R0.366 CCCOCCOCCNCC(=O)OCC 2230a_200011904461_100000188475 [0,2,0,0,0,0|1,0,0]=3 15391 B15R0.366 CCCOCCOCCNCC(=O)OCC 34a_200011904461_100000188475 [0,2,0,0,0,0|1,0,0]=3 15392 B15R0.366 CCCOCCOCCOCC(=O)OCC 34a_100000752267_100000088970 [0,2,0,0,0,0|1,0,0]=3 15393 B15R0.366 CCCOCCOCCOCC(=O)OCC 7a_100000752267_100000088970 [0,2,0,0,0,0|1,0,0]=3 15394 B15R0.366 CCCOCCOCCSCC(=O)OCC 7a_200000230590_100011215938 [0,2,0,0,0,0|1,0,0]=3 15395 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100000750268_100011215938 [0,2,0,0,0,0|0,0,0]=2 15396 B15R0.366 CCCOCCSCCCCC(=O)OCC 62a_100011215938_100000750268 [0,2,0,0,0,0|0,0,0]=2 15397 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100000088970_100011215938 [0,2,0,0,0,0|1,0,0]=3 15398 B15R0.366 CCCOCCSCCOCC(=O)OCC 62a_100011215938_100000088970 [0,2,0,0,0,0|1,0,0]=3 15399 B15R0.366 CCCSCCCCCCCC(=O)OCC 62a_100000210303_100009991516 [0,2,0,0,0,0|0,0,0]=2 15400 B15R0.366 CCCSCCNCCCCC(=O)OCC 2230a_100020603323_100000750268 [0,2,0,0,0,0|0,0,0]=2 15401 B15R0.366 CCCSCCNCCOCC(=O)OCC 2230a_100020603323_100000088970 [0,2,0,0,0,0|1,0,0]=3 15402 B15R0.366 CCCSCCOCCCCC(=O)OCC 34a_200000230433_100000750268 [0,2,0,0,0,0|0,0,0]=2 15403 B15R0.366 CCCSCCOCCCCC(=O)OCC 7a_200000230433_100000750268 [0,2,0,0,0,0|0,0,0]=2 15404 B15R0.366 CCCSCCOCCOCC(=O)OCC 34a_200000230433_100000088970 [0,2,0,0,0,0|1,0,0]=3 15405 B15R0.366 CCCSCCOCCOCC(=O)OCC 7a_200000230433_100000088970 [0,2,0,0,0,0|1,0,0]=3 15406 B15R0.366 CCNC(=O)CCCCCCCCCCO 240690a_100015525214_200000016029 [0,2,0,0,0,0|1,0,0]=3 15407 B15R0.366 CCNC(=O)CCNCCCCCCCO 2230a_100011996573_100000737597 [0,2,0,0,0,0|1,0,0]=3 15408 B15R0.366 CCNC(=O)CCNCCCCCCCO 34a_100025743525_100000760002 [0,2,0,0,0,0|1,0,0]=3 15409 B15R0.366 CCNC(=O)CCNCCCCCCOC 34a_100025743525_100011998445 [0,2,0,0,0,0|1,0,0]=3 15410 B15R0.366 CCNC(=O)CCNCCCOCCCO 2230a_100011310245_100000737597 [0,2,0,0,0,0|2,0,0]=4 15411 B15R0.366 CCNC(=O)CCNCCCOCCOC 2230a_100000206027_100000737597 [0,2,0,0,0,0|2,0,0]=4 15412 B15R0.366 CCNC(=O)CCNCCCOCCOC 34a_100025743525_100011216529 [0,2,0,0,0,0|2,0,0]=4 15413 B15R0.366 CCNC(=O)CCNCCOCCOCC 2230a_100102712874_100000737597 [0,2,0,0,0,0|2,0,0]=4 15414 B15R0.366 CCNC(=O)CCNCCOCCOCC 34a_100025743525_100011211534 [0,2,0,0,0,0|2,0,0]=4 15415 B15R0.366 CCNC(=O)CCOCCCCCCCBr 7a_100000760002_100000737597 [0,2,0,0,0,0|1,0,0]=3 15416 B15R0.366 CCNC(=O)CCOCCCCCCOC 7a_200012092642_100000737597 [0,2,0,0,0,0|1,0,0]=3 15417 B15R0.366 CCNC(=O)CCOCCOCCOCC 7a_100000210240_100000737597 [0,2,0,0,0,0|2,0,0]=4 15418 B15R0.366 CCNC(=O)CCSCCCCCCC#N 62a_100000737597_100009813337 [0,2,0,0,0,0|1,0,1]=4 15419 B15R0.366 CCNC(=O)CCSCCCCCCC#N 62a_100009813337_100000737597 [0,2,0,0,0,0|1,0,1]=4 15420 B15R0.366 CCNC(=O)CCSCCCCCCCO 62a_100000737597_100000760002 [0,2,0,0,0,0|1,0,0]=3 15421 B15R0.366 CCNC(=O)CCSCCCCCCCO 62a_100000760002_100000737597 [0,2,0,0,0,0|1,0,0]=3 15422 B15R0.366 CCNC(=O)CCSCCCCCCOC 62a_100000737597_100011998445 [0,2,0,0,0,0|1,0,0]=3 15423 B15R0.366 CCNC(=O)CCSCCCCCCOC 62a_100011998445_100000737597 [0,2,0,0,0,0|1,0,0]=3 15424 B15R0.366 CCNC(=O)CCSCCCOCCOC 62a_100000737597_100011216529 [0,2,0,0,0,0|2,0,0]=4 15425 B15R0.366 CCNC(=O)CCSCCCOCCOC 62a_100011216529_100000737597 [0,2,0,0,0,0|2,0,0]=4 15426 B15R0.366 CCNC(=O)CCSCCOCCOCC 62a_100000737597_100011211534 [0,2,0,0,0,0|2,0,0]=4 15427 B15R0.366 CCNC(=O)CCSCCOCCOCC 62a_100011211534_100000737597 [0,2,0,0,0,0|2,0,0]=4 15428 B15R0.366 CCNC(=O)CNCCCCCCCCO 2230a_100016988866_100000033203 [0,2,0,0,0,0|1,0,0]=3 15429 B15R0.366 CCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183381 [0,2,0,0,0,0|1,0,0]=3 15430 B15R0.366 CCNC(=O)CNCCCCCCCCO 34a_102515433106_100000183381 [0,2,0,0,0,0|1,0,0]=3 15431 B15R0.366 CCNC(=O)COCCCCCCCCBr 34a_100009813846_100000183381 [0,2,0,0,0,0|1,0,0]=3 15432 B15R0.366 CCNC(=O)COCCCCCCCCBr 7a_100009813846_100000183381 [0,2,0,0,0,0|1,0,0]=3 15433 B15R0.366 CCNC(=O)COCCCCCCCCCl 34a_100000033203_100000183381 [0,2,0,0,0,0|1,0,0]=3 15434 B15R0.366 CCNC(=O)COCCCCCCCCCl 7a_100000033203_100000183381 [0,2,0,0,0,0|1,0,0]=3 15435 B15R0.366 CCNC(=O)COCCCCCCCCN 34a_102515433106_100000183381 [0,2,0,0,0,0|1,0,0]=3 15436 B15R0.366 CCNC(=O)COCCCCCNCCN 34a_103619048469_100000183381 [0,2,0,0,0,0|2,0,0]=4 15437 B15R0.366 CCNC(=O)COCCCOCCCOC 34a_200011215475_100000183381 [0,2,0,0,0,0|2,0,0]=4 15438 B15R0.366 CCNC(=O)COCCCOCCCOC 7a_200011215475_100000183381 [0,2,0,0,0,0|2,0,0]=4 15439 B15R0.366 CCNC(=O)CSCCCCCCCCO 62a_100000033203_100000183381 [0,2,0,0,0,0|1,0,0]=3 15440 B15R0.366 CCNC(=O)CSCCCCCCCCO 62a_100000183381_100000033203 [0,2,0,0,0,0|1,0,0]=3 15441 B15R0.366 CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100015525214 [0,2,0,0,0,0|1,0,0]=3 15442 B15R0.366 CCNC(=O)NCCCCCCCCCO 2708a_100015525214_100000078944 [0,2,0,0,0,0|1,0,0]=3 15443 B15R0.366 CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100015525214 [0,2,0,0,0,0|1,0,0]=3 15444 B15R0.366 CCNC(=O)NCCCCCCCCCO 273464a_100015525214_100000078944 [0,2,0,0,0,0|1,0,0]=3 15445 B15R0.366 CCNC(=O)NCCCCCCCCCO 512a_100000078944_100015525214 [0,2,0,0,0,0|1,0,0]=3 15446 B15R0.366 CCNC(=O)NCCCCCCCCCO 512a_100015525214_100000078944 [0,2,0,0,0,0|1,0,0]=3 15447 B15R0.366 CCNCCCCCCCCC(=O)OCC 2230a_100015525214_100010175975 [0,2,0,0,0,0|0,0,0]=2 15448 B15R0.366 CCOC(=O)/C=C/CNCCCCCCO 2230a_100000686447_100016267167 [0,2,0,0,0,0|0,0,2]=4 15449 B15R0.366 CCOC(=O)/C=C/CNCCCCCCO 34a_100000686447_100016267167 [0,2,0,0,0,0|0,0,2]=4 15450 B15R0.366 CCOC(=O)/C=C/CNCCCCCOC 2230a_100000747528_100016267167 [0,2,0,0,0,0|0,0,2]=4 15451 B15R0.366 CCOC(=O)/C=C/CNCCCCCOC 34a_100000747528_100016267167 [0,2,0,0,0,0|0,0,2]=4 15452 B15R0.366 CCOC(=O)/C=C/COCCCCCCBr 34a_100011215345_100016267167 [0,2,0,0,0,0|0,0,2]=4 15453 B15R0.366 CCOC(=O)/C=C/COCCCCCCBr 7a_100011215345_100016267167 [0,2,0,0,0,0|0,0,2]=4 15454 B15R0.366 CCOC(=O)/C=C/COCCCCCCCl 34a_100000766143_100016267167 [0,2,0,0,0,0|0,0,2]=4 15455 B15R0.366 CCOC(=O)/C=C/COCCCCCCCl 7a_100000766143_100016267167 [0,2,0,0,0,0|0,0,2]=4 15456 B15R0.366 CCOC(=O)/C=C/COCCCCCCF 34a_100000732779_100016267167 [0,2,0,0,0,0|0,0,2]=4 15457 B15R0.366 CCOC(=O)/C=C/COCCCCCCF 7a_100000732779_100016267167 [0,2,0,0,0,0|0,0,2]=4 15458 B15R0.366 CCOC(=O)/C=C/COCCCCCCN 34a_100000686447_100016267167 [0,2,0,0,0,0|0,0,2]=4 15459 B15R0.366 CCOC(=O)/C=C/COCCCCCNC 34a_100000722520_100016267167 [0,2,0,0,0,0|0,0,2]=4 15460 B15R0.366 CCOC(=O)/C=C/CSCCCCCCF 62a_100015922095_100016267167 [0,2,0,0,0,0|0,0,2]=4 15461 B15R0.366 CCOC(=O)/C=C/CSCCCCCCF 62a_100016267167_100015922095 [0,2,0,0,0,0|0,0,2]=4 15462 B15R0.366 CCOC(=O)/C=C/CSCCCCCCO 62a_100000766143_100016267167 [0,2,0,0,0,0|0,0,2]=4 15463 B15R0.366 CCOC(=O)/C=C/CSCCCCCCO 62a_100016267167_100000766143 [0,2,0,0,0,0|0,0,2]=4 15464 B15R0.366 CCOC(=O)CCCCCC=NNCCO 4a_100000210001_100000085164 [0,2,0,0,0,0|1,0,1]=4 15465 B15R0.366 CCOC(=O)CCCCCCCCCNC 2230a_106832991635_100009828014 [0,2,0,0,0,0|0,0,0]=2 15466 B15R0.366 CCOC(=O)CCCCCCCCCNC 34a_100102657272_100009828014 [0,2,0,0,0,0|0,0,0]=2 15467 B15R0.366 CCOC(=O)CCCCCCCCCNC 7a_106832991635_100009828014 [0,2,0,0,0,0|0,0,0]=2 15468 B15R0.366 CCOC(=O)CCCCCCCCCOC 34a_100138415774_100009828014 [0,2,0,0,0,0|0,0,0]=2 15469 B15R0.366 CCOC(=O)CCCCCCCCCSC 62a_200000210301_100009828014 [0,2,0,0,0,0|0,0,0]=2 15470 B15R0.366 CCOC(=O)CCCCCCCCCS[13CH3] 62a_200025704644_100009828014 [0,2,0,0,0,0|0,0,0]=2 15471 B15R0.366 CCOC(=O)CCCCCCCCSCC 62a_100000210202_100010175975 [0,2,0,0,0,0|0,0,0]=2 15472 B15R0.366 CCOC(=O)CCCCCCCCSCF 62a_100015361967_100010175975 [0,2,0,0,0,0|0,0,0]=2 15473 B15R0.366 CCOC(=O)CCCCCCCNCCF 34a_100000724931_100009991516 [0,2,0,0,0,0|0,0,0]=2 15474 B15R0.366 CCOC(=O)CCCCCCCNCCO 2230a_100016997473_100009991516 [0,2,0,0,0,0|0,0,0]=2 15475 B15R0.366 CCOC(=O)CCCCCCCNCCO 34a_100016990907_100009991516 [0,2,0,0,0,0|0,0,0]=2 15476 B15R0.366 CCOC(=O)CCCCCCCOCCBr 34a_100000211926_100009991516 [0,2,0,0,0,0|0,0,0]=2 15477 B15R0.366 CCOC(=O)CCCCCCCOCCN 34a_100000210304_100009991516 [0,2,0,0,0,0|0,0,0]=2 15478 B15R0.366 CCOC(=O)CCCCCCCSCC#N 62a_100011215382_100009991516 [0,2,0,0,0,0|0,0,1]=3 15479 B15R0.366 CCOC(=O)CCCCCCCSCC=O 62a_200015260668_100009991516 [0,2,0,0,0,0|0,0,1]=3 15480 B15R0.366 CCOC(=O)CCCCCCCSCCF 62a_100011217306_100009991516 [0,2,0,0,0,0|0,0,0]=2 15481 B15R0.366 CCOC(=O)CCCCCCCSCCO 62a_100000211926_100009991516 [0,2,0,0,0,0|0,0,0]=2 15482 B15R0.366 CCOC(=O)CCCCCCCSCOC 62a_100000766300_100009991516 [0,2,0,0,0,0|0,0,0]=2 15483 B15R0.366 CCOC(=O)CCCCCCCSCSC 62a_100011218213_100009991516 [0,2,0,0,0,0|0,0,0]=2 15484 B15R0.366 CCOC(=O)CCCCCCNCCCF 2230a_100015189416_100009814379 [0,2,0,0,0,0|0,0,0]=2 15485 B15R0.366 CCOC(=O)CCCCCCNCCCF 34a_100015189416_100009814379 [0,2,0,0,0,0|0,0,0]=2 15486 B15R0.366 CCOC(=O)CCCCCCNCCOC 2230a_100000209980_100009814379 [0,2,0,0,0,0|0,0,0]=2 15487 B15R0.366 CCOC(=O)CCCCCCNCCSC 2230a_100020590264_100009814379 [0,2,0,0,0,0|0,0,0]=2 15488 B15R0.366 CCOC(=O)CCCCCCOCCCBr 34a_100011217188_100009814379 [0,2,0,0,0,0|0,0,0]=2 15489 B15R0.366 CCOC(=O)CCCCCCOCCCCl 34a_100000230001_100009814379 [0,2,0,0,0,0|0,0,0]=2 15490 B15R0.366 CCOC(=O)CCCCCCOCCCF 34a_100000759539_100009814379 [0,2,0,0,0,0|0,0,0]=2 15491 B15R0.366 CCOC(=O)CCCCCCOCCCN 34a_100000182051_100009814379 [0,2,0,0,0,0|0,0,0]=2 15492 B15R0.366 CCOC(=O)CCCCCCOCCOC 34a_100000210237_100009814379 [0,2,0,0,0,0|0,0,0]=2 15493 B15R0.366 CCOC(=O)CCCCCCOCCON 34a_100000700252_100009814379 [0,2,0,0,0,0|1,0,0]=3 15494 B15R0.366 CCOC(=O)CCCCCCOCCSC 34a_100000230434_100009814379 [0,2,0,0,0,0|0,0,0]=2 15495 B15R0.366 CCOC(=O)CCCCCCOCCSC 7a_100000230434_100009814379 [0,2,0,0,0,0|0,0,0]=2 15496 B15R0.366 CCOC(=O)CCCCCCSCCC#N 62a_100011215226_100009814379 [0,2,0,0,0,0|0,0,1]=3 15497 B15R0.366 CCOC(=O)CCCCCCSCCCF 62a_100011934791_100009814379 [0,2,0,0,0,0|0,0,0]=2 15498 B15R0.366 CCOC(=O)CCCCCCSCCCO 62a_100011215043_100009814379 [0,2,0,0,0,0|0,0,0]=2 15499 B15R0.366 CCOC(=O)CCCCCCSCCOC 62a_100000233755_100009814379 [0,2,0,0,0,0|0,0,0]=2 15500 B15R0.366 CCOC(=O)CCCCCCSCCSC 62a_100000212216_100009814379 [0,2,0,0,0,0|0,0,0]=2 15501 B15R0.366 CCOC(=O)CCCCCCSCSC#N 62a_100000211825_100009814379 [0,2,0,0,0,0|1,0,1]=4 15502 B15R0.366 CCOC(=O)CCCCCNCCCCO 2230a_100000750430_100000755133 [0,2,0,0,0,0|0,0,0]=2 15503 B15R0.366 CCOC(=O)CCCCCNCCCCO 34a_100000750430_100000755133 [0,2,0,0,0,0|0,0,0]=2 15504 B15R0.366 CCOC(=O)CCCCCNCCCOC 34a_100150723488_100000755133 [0,2,0,0,0,0|0,0,0]=2 15505 B15R0.366 CCOC(=O)CCCCCNCCCSC 2230a_100000749238_100000755133 [0,2,0,0,0,0|0,0,0]=2 15506 B15R0.366 CCOC(=O)CCCCCNCCSCC 2230a_100000106463_100000755133 [0,2,0,0,0,0|0,0,0]=2 15507 B15R0.366 CCOC(=O)CCCCCOCC#CCCl 34a_200000047223_100000755133 [0,2,0,0,0,0|0,0,2]=4 15508 B15R0.366 CCOC(=O)CCCCCOCC#CCO 7a_100011214988_200000047223 [0,2,0,0,0,0|0,0,2]=4 15509 B15R0.366 CCOC(=O)CCCCCOCCCC#N 7a_100011214988_100000687738 [0,2,0,0,0,0|0,0,1]=3 15510 B15R0.366 CCOC(=O)CCCCCOCCCC=O 7a_100011214988_200011292268 [0,2,0,0,0,0|0,0,1]=3 15511 B15R0.366 CCOC(=O)CCCCCOCCCCBr 34a_100011216708_100000755133 [0,2,0,0,0,0|0,0,0]=2 15512 B15R0.366 CCOC(=O)CCCCCOCCCCCl 34a_100000210776_100000755133 [0,2,0,0,0,0|0,0,0]=2 15513 B15R0.366 CCOC(=O)CCCCCOCCCCCl 7a_100000210776_100000755133 [0,2,0,0,0,0|0,0,0]=2 15514 B15R0.366 CCOC(=O)CCCCCOCCCCF 34a_100011995726_100000755133 [0,2,0,0,0,0|0,0,0]=2 15515 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011214988_100000729493 [0,2,0,0,0,0|0,0,0]=2 15516 B15R0.366 CCOC(=O)CCCCCOCCCCF 7a_100011995726_100000755133 [0,2,0,0,0,0|0,0,0]=2 15517 B15R0.366 CCOC(=O)CCCCCOCCCCI 34a_200012148704_100000755133 [0,2,0,0,0,0|0,0,0]=2 15518 B15R0.366 CCOC(=O)CCCCCOCCCCN 34a_100000750430_100000755133 [0,2,0,0,0,0|0,0,0]=2 15519 B15R0.366 CCOC(=O)CCCCCOCCCCO 7a_100011214988_100000210776 [0,2,0,0,0,0|0,0,0]=2 15520 B15R0.366 CCOC(=O)CCCCCOCCCNC 34a_100000213112_100000755133 [0,2,0,0,0,0|0,0,0]=2 15521 B15R0.366 CCOC(=O)CCCCCOCCCOC 34a_100000740835_100000755133 [0,2,0,0,0,0|0,0,0]=2 15522 B15R0.366 CCOC(=O)CCCCCOCCCOC 7a_100011214988_100000740836 [0,2,0,0,0,0|0,0,0]=2 15523 B15R0.366 CCOC(=O)CCCCCOCCCSC 34a_100000690336_100000755133 [0,2,0,0,0,0|0,0,0]=2 15524 B15R0.366 CCOC(=O)CCCCCOCCCSC 7a_100000690336_100000755133 [0,2,0,0,0,0|0,0,0]=2 15525 B15R0.366 CCOC(=O)CCCCCOCCSCC 34a_100000212035_100000755133 [0,2,0,0,0,0|0,0,0]=2 15526 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100000212035_100000755133 [0,2,0,0,0,0|0,0,0]=2 15527 B15R0.366 CCOC(=O)CCCCCOCCSCC 7a_100011214988_100000757381 [0,2,0,0,0,0|0,0,0]=2 15528 B15R0.366 CCOC(=O)CCCCCSCC#CCO 62a_100000755133_200000047223 [0,2,0,0,0,0|0,0,2]=4 15529 B15R0.366 CCOC(=O)CCCCCSCC#CCO 62a_200000047223_100000755133 [0,2,0,0,0,0|0,0,2]=4 15530 B15R0.366 CCOC(=O)CCCCCSCCCC#N 62a_100000687738_100000755133 [0,2,0,0,0,0|0,0,1]=3 15531 B15R0.366 CCOC(=O)CCCCCSCCCC#N 62a_100000755133_100000687738 [0,2,0,0,0,0|0,0,1]=3 15532 B15R0.366 CCOC(=O)CCCCCSCCCC=O 62a_100000755133_200011292268 [0,2,0,0,0,0|0,0,1]=3 15533 B15R0.366 CCOC(=O)CCCCCSCCCC=O 62a_200011292268_100000755133 [0,2,0,0,0,0|0,0,1]=3 15534 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000729493_100000755133 [0,2,0,0,0,0|0,0,0]=2 15535 B15R0.366 CCOC(=O)CCCCCSCCCCF 62a_100000755133_100000729493 [0,2,0,0,0,0|0,0,0]=2 15536 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000210776_100000755133 [0,2,0,0,0,0|0,0,0]=2 15537 B15R0.366 CCOC(=O)CCCCCSCCCCO 62a_100000755133_100000210776 [0,2,0,0,0,0|0,0,0]=2 15538 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000709357_100000755133 [0,2,0,0,0,0|0,0,0]=2 15539 B15R0.366 CCOC(=O)CCCCCSCCCOC 62a_100000755133_100000709357 [0,2,0,0,0,0|0,0,0]=2 15540 B15R0.366 CCOC(=O)CCCCCSCCSC#N 62a_100000034367_100000755133 [0,2,0,0,0,0|1,0,1]=4 15541 B15R0.366 CCOC(=O)CCCCCSCCSC#N 62a_100000755133_100000034367 [0,2,0,0,0,0|1,0,1]=4 15542 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000755133_100000757381 [0,2,0,0,0,0|0,0,0]=2 15543 B15R0.366 CCOC(=O)CCCCCSCCSCC 62a_100000757381_100000755133 [0,2,0,0,0,0|0,0,0]=2 15544 B15R0.366 CCOC(=O)CCCCNCCCCCO 2230a_100000762737_100000750268 [0,2,0,0,0,0|0,0,0]=2 15545 B15R0.366 CCOC(=O)CCCCNCCCCCO 34a_100000762737_100000750268 [0,2,0,0,0,0|0,0,0]=2 15546 B15R0.366 CCOC(=O)CCCCNCCCN=[N+]=[N-] 2230a_100000744732_100000750268 [0,2,0,0,0,0|2,0,0]=4 15547 B15R0.366 CCOC(=O)CCCCNCCOCCO 2230a_100000211614_100000750268 [0,2,0,0,0,0|1,0,0]=3 15548 B15R0.366 CCOC(=O)CCCCNCCOCCO 34a_100000211614_100000750268 [0,2,0,0,0,0|1,0,0]=3 15549 B15R0.366 CCOC(=O)CCCCNCCSCCO 2230a_100011219999_100000750268 [0,2,0,0,0,0|1,0,0]=3 15550 B15R0.366 CCOC(=O)CCCCOCCCCCBr 34a_100000746331_100000750268 [0,2,0,0,0,0|0,0,0]=2 15551 B15R0.366 CCOC(=O)CCCCOCCCCCBr 7a_100000746331_100000750268 [0,2,0,0,0,0|0,0,0]=2 15552 B15R0.366 CCOC(=O)CCCCOCCCCCCl 34a_100000746330_100000750268 [0,2,0,0,0,0|0,0,0]=2 15553 B15R0.366 CCOC(=O)CCCCOCCCCCCl 7a_100000746330_100000750268 [0,2,0,0,0,0|0,0,0]=2 15554 B15R0.366 CCOC(=O)CCCCOCCCCCI 34a_200012148887_100000750268 [0,2,0,0,0,0|0,0,0]=2 15555 B15R0.366 CCOC(=O)CCCCOCCCCCI 7a_200012148887_100000750268 [0,2,0,0,0,0|0,0,0]=2 15556 B15R0.366 CCOC(=O)CCCCOCCCCCN 34a_100000762737_100000750268 [0,2,0,0,0,0|0,0,0]=2 15557 B15R0.366 CCOC(=O)CCCCOCCCCOC 34a_100000740925_100000750268 [0,2,0,0,0,0|0,0,0]=2 15558 B15R0.366 CCOC(=O)CCCCOCCCCSC 34a_100011217163_100000750268 [0,2,0,0,0,0|0,0,0]=2 15559 B15R0.366 CCOC(=O)CCCCOCCCCSC 7a_100011217163_100000750268 [0,2,0,0,0,0|0,0,0]=2 15560 B15R0.366 CCOC(=O)CCCCOCCCSCC 34a_100011216438_100000750268 [0,2,0,0,0,0|0,0,0]=2 15561 B15R0.366 CCOC(=O)CCCCOCCCSCC 7a_100011216438_100000750268 [0,2,0,0,0,0|0,0,0]=2 15562 B15R0.366 CCOC(=O)CCCCOCCOCCBr 34a_100000692535_100000750268 [0,2,0,0,0,0|1,0,0]=3 15563 B15R0.366 CCOC(=O)CCCCOCCOCCBr 7a_100000692535_100000750268 [0,2,0,0,0,0|1,0,0]=3 15564 B15R0.366 CCOC(=O)CCCCOCCOCCCl 34a_100011215305_100000750268 [0,2,0,0,0,0|1,0,0]=3 15565 B15R0.366 CCOC(=O)CCCCOCCOCCCl 7a_100011215305_100000750268 [0,2,0,0,0,0|1,0,0]=3 15566 B15R0.366 CCOC(=O)CCCCOCCOCCF 34a_200015357709_100000750268 [0,2,0,0,0,0|1,0,0]=3 15567 B15R0.366 CCOC(=O)CCCCOCCOCCF 7a_200015357709_100000750268 [0,2,0,0,0,0|1,0,0]=3 15568 B15R0.366 CCOC(=O)CCCCOCCOCCI 34a_100012149058_100000750268 [0,2,0,0,0,0|1,0,0]=3 15569 B15R0.366 CCOC(=O)CCCCOCCOCCI 7a_100012149058_100000750268 [0,2,0,0,0,0|1,0,0]=3 15570 B15R0.366 CCOC(=O)CCCCOCCOCCN 34a_100000211614_100000750268 [0,2,0,0,0,0|1,0,0]=3 15571 B15R0.366 CCOC(=O)CCCCSCCCCC#N 62a_100000750268_100000211819 [0,2,0,0,0,0|0,0,1]=3 15572 B15R0.366 CCOC(=O)CCCCSCCCCC#N 62a_100011219923_100000750268 [0,2,0,0,0,0|0,0,1]=3 15573 B15R0.366 CCOC(=O)CCCCSCCCCC=O 62a_100000139335_100000750268 [0,2,0,0,0,0|0,0,1]=3 15574 B15R0.366 CCOC(=O)CCCCSCCCCC=O 62a_100000750268_100000139335 [0,2,0,0,0,0|0,0,1]=3 15575 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000729378_100000750268 [0,2,0,0,0,0|0,0,0]=2 15576 B15R0.366 CCOC(=O)CCCCSCCCCCF 62a_100000750268_100000729378 [0,2,0,0,0,0|0,0,0]=2 15577 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000746330_100000750268 [0,2,0,0,0,0|0,0,0]=2 15578 B15R0.366 CCOC(=O)CCCCSCCCCCO 62a_100000750268_100000746330 [0,2,0,0,0,0|0,0,0]=2 15579 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000730899_100000750268 [0,2,0,0,0,0|0,0,0]=2 15580 B15R0.366 CCOC(=O)CCCCSCCCCOC 62a_100000750268_100000730899 [0,2,0,0,0,0|0,0,0]=2 15581 B15R0.366 CCOC(=O)CCCCSCCOCC#N 62a_100000750268_200000047693 [0,2,0,0,0,0|1,0,1]=4 15582 B15R0.366 CCOC(=O)CCCCSCCOCC#N 62a_200000047693_100000750268 [0,2,0,0,0,0|1,0,1]=4 15583 B15R0.366 CCOC(=O)CCCCSCCOCCO 62a_100000750268_100011215305 [0,2,0,0,0,0|1,0,0]=3 15584 B15R0.366 CCOC(=O)CCCCSCCOCCO 62a_100011215305_100000750268 [0,2,0,0,0,0|1,0,0]=3 15585 B15R0.366 CCOC(=O)CCCCSCOCCOC 62a_100000231047_100000750268 [0,2,0,0,0,0|1,0,0]=3 15586 B15R0.366 CCOC(=O)CCCCSCOCCOC 62a_100000750268_100000231047 [0,2,0,0,0,0|1,0,0]=3 15587 B15R0.366 CCOC(=O)CCCNCCCCCCO 2230a_100000686447_100009991533 [0,2,0,0,0,0|0,0,0]=2 15588 B15R0.366 CCOC(=O)CCCNCCCCCCO 34a_100000686447_100009991533 [0,2,0,0,0,0|0,0,0]=2 15589 B15R0.366 CCOC(=O)CCCNCCCCCOC 2230a_100000747528_100009991533 [0,2,0,0,0,0|0,0,0]=2 15590 B15R0.366 CCOC(=O)CCCNCCCCCOC 34a_100000747528_100009991533 [0,2,0,0,0,0|0,0,0]=2 15591 B15R0.366 CCOC(=O)CCCNCCCCN=[N+]=[N-] 2230a_100000101370_100009991533 [0,2,0,0,0,0|2,0,0]=4 15592 B15R0.366 CCOC(=O)CCCNCCOCCOC 2230a_100000745349_100009991533 [0,2,0,0,0,0|1,0,0]=3 15593 B15R0.366 CCOC(=O)CCCNCCOCCOC 34a_100000745349_100009991533 [0,2,0,0,0,0|1,0,0]=3 15594 B15R0.366 CCOC(=O)CCCOCCCCCC#N 7a_100012001163_100009813376 [0,2,0,0,0,0|0,0,1]=3 15595 B15R0.366 CCOC(=O)CCCOCCCCCC=O 7a_100012001163_100000139337 [0,2,0,0,0,0|0,0,1]=3 15596 B15R0.366 CCOC(=O)CCCOCCCCCCBr 34a_100011215345_100009991533 [0,2,0,0,0,0|0,0,0]=2 15597 B15R0.366 CCOC(=O)CCCOCCCCCCBr 7a_100011215345_100011215271 [0,2,0,0,0,0|0,0,0]=2 15598 B15R0.366 CCOC(=O)CCCOCCCCCCCl 34a_100000766143_100009991533 [0,2,0,0,0,0|0,0,0]=2 15599 B15R0.366 CCOC(=O)CCCOCCCCCCCl 7a_100000766143_100011215271 [0,2,0,0,0,0|0,0,0]=2 15600 B15R0.366 CCOC(=O)CCCOCCCCCCF 34a_100000732779_100009991533 [0,2,0,0,0,0|0,0,0]=2 15601 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100000732779_100011215271 [0,2,0,0,0,0|0,0,0]=2 15602 B15R0.366 CCOC(=O)CCCOCCCCCCF 7a_100012001163_100015922095 [0,2,0,0,0,0|0,0,0]=2 15603 B15R0.366 CCOC(=O)CCCOCCCCCCN 34a_100000686447_100009991533 [0,2,0,0,0,0|0,0,0]=2 15604 B15R0.366 CCOC(=O)CCCOCCCCCCO 7a_100012001163_100000766143 [0,2,0,0,0,0|0,0,0]=2 15605 B15R0.366 CCOC(=O)CCCOCCCCCNC 34a_100000722520_100009991533 [0,2,0,0,0,0|0,0,0]=2 15606 B15R0.366 CCOC(=O)CCCOCCOCCNC 34a_100000228057_100009991533 [0,2,0,0,0,0|1,0,0]=3 15607 B15R0.366 CCOC(=O)CCCOCCOCCOC 34a_100011215163_100009991533 [0,2,0,0,0,0|1,0,0]=3 15608 B15R0.366 CCOC(=O)CCCOCCOCCOC 7a_100011215163_100011215271 [0,2,0,0,0,0|1,0,0]=3 15609 B15R0.366 CCOC(=O)CCCOCCOCCOC 7a_100012001163_100000695917 [0,2,0,0,0,0|1,0,0]=3 15610 B15R0.366 CCOC(=O)CCCSCCCCCC#N 62a_100009813376_100009991533 [0,2,0,0,0,0|0,0,1]=3 15611 B15R0.366 CCOC(=O)CCCSCCCCCC#N 62a_100009991533_100009813376 [0,2,0,0,0,0|0,0,1]=3 15612 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100000139337_100009991533 [0,2,0,0,0,0|0,0,1]=3 15613 B15R0.366 CCOC(=O)CCCSCCCCCC=O 62a_100009991533_100000139337 [0,2,0,0,0,0|0,0,1]=3 15614 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100009991533_100015922095 [0,2,0,0,0,0|0,0,0]=2 15615 B15R0.366 CCOC(=O)CCCSCCCCCCF 62a_100015922095_100009991533 [0,2,0,0,0,0|0,0,0]=2 15616 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100000766143_100009991533 [0,2,0,0,0,0|0,0,0]=2 15617 B15R0.366 CCOC(=O)CCCSCCCCCCO 62a_100009991533_100000766143 [0,2,0,0,0,0|0,0,0]=2 15618 B15R0.366 CCOC(=O)CCCSCCOCCOC 62a_100000695917_100009991533 [0,2,0,0,0,0|1,0,0]=3 15619 B15R0.366 CCOC(=O)CCCSCCOCCOC 62a_100009991533_100000695917 [0,2,0,0,0,0|1,0,0]=3 15620 B15R0.366 CCOC(=O)CCNCCCCCCCO 2230a_100011996573_100011206558 [0,2,0,0,0,0|0,0,0]=2 15621 B15R0.366 CCOC(=O)CCNCCCCCCCO 34a_100011996573_100000765890 [0,2,0,0,0,0|0,0,0]=2 15622 B15R0.366 CCOC(=O)CCNCCCOCCCO 2230a_100011310245_100011206558 [0,2,0,0,0,0|1,0,0]=3 15623 B15R0.366 CCOC(=O)CCNCCCOCCCO 34a_100011310245_100000765890 [0,2,0,0,0,0|1,0,0]=3 15624 B15R0.366 CCOC(=O)CCNCCCOCCOC 2230a_100000206027_100011206558 [0,2,0,0,0,0|1,0,0]=3 15625 B15R0.366 CCOC(=O)CCNCCCOCCOC 34a_100000206027_100000765890 [0,2,0,0,0,0|1,0,0]=3 15626 B15R0.366 CCOC(=O)CCOCCCCCCCBr 34a_100000760002_100000765890 [0,2,0,0,0,0|0,0,0]=2 15627 B15R0.366 CCOC(=O)CCOCCCCCCCBr 7a_100000760002_100011206558 [0,2,0,0,0,0|0,0,0]=2 15628 B15R0.366 CCOC(=O)CCOCCCCCCCN 34a_100011996573_100000765890 [0,2,0,0,0,0|0,0,0]=2 15629 B15R0.366 CCOC(=O)CCOCCCCCCOC 34a_200012092642_100000765890 [0,2,0,0,0,0|0,0,0]=2 15630 B15R0.366 CCOC(=O)CCOCCCCCCOC 7a_200012092642_100011206558 [0,2,0,0,0,0|0,0,0]=2 15631 B15R0.366 CCOC(=O)CCOCCCOCCCN 34a_100011310245_100000765890 [0,2,0,0,0,0|1,0,0]=3 15632 B15R0.366 CCOC(=O)CCOCCOCCOCF 34a_100010737887_100015361967 [0,2,0,0,0,0|2,0,0]=4 15633 B15R0.366 CCOC(=O)CCOCCOCCOCF 7a_100010737887_100015361967 [0,2,0,0,0,0|2,0,0]=4 15634 B15R0.366 CCOC(=O)CCSCCCCCCC#N 62a_100000765890_100009813337 [0,2,0,0,0,0|0,0,1]=3 15635 B15R0.366 CCOC(=O)CCSCCCCCCC#N 62a_100009813337_100000765890 [0,2,0,0,0,0|0,0,1]=3 15636 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000760002_100000765890 [0,2,0,0,0,0|0,0,0]=2 15637 B15R0.366 CCOC(=O)CCSCCCCCCCO 62a_100000765890_100000760002 [0,2,0,0,0,0|0,0,0]=2 15638 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100000765890_100011998445 [0,2,0,0,0,0|0,0,0]=2 15639 B15R0.366 CCOC(=O)CCSCCCCCCOC 62a_100011998445_100000765890 [0,2,0,0,0,0|0,0,0]=2 15640 B15R0.366 CCOC(=O)CCSCCCOCCOC 62a_100000765890_100011216529 [0,2,0,0,0,0|1,0,0]=3 15641 B15R0.366 CCOC(=O)CCSCCCOCCOC 62a_100011216529_100000765890 [0,2,0,0,0,0|1,0,0]=3 15642 B15R0.366 CCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000188475 [0,2,0,0,0,0|0,0,0]=2 15643 B15R0.366 CCOC(=O)CNCCCCCCCCO 34a_102515433106_100000188475 [0,2,0,0,0,0|0,0,0]=2 15644 B15R0.366 CCOC(=O)CNCCCCCCN=[N+]=[N-] 2230a_200000049180_100000188475 [0,2,0,0,0,0|2,0,0]=4 15645 B15R0.366 CCOC(=O)CNCCOCCOCCO 2230a_100011998139_100000188475 [0,2,0,0,0,0|2,0,0]=4 15646 B15R0.366 CCOC(=O)CNCCOCCOCCO 34a_100011998139_100000188475 [0,2,0,0,0,0|2,0,0]=4 15647 B15R0.366 CCOC(=O)COCCCCCCCCBr 34a_100009813846_100000188475 [0,2,0,0,0,0|0,0,0]=2 15648 B15R0.366 CCOC(=O)COCCCCCCCCBr 7a_100009813846_100000188475 [0,2,0,0,0,0|0,0,0]=2 15649 B15R0.366 CCOC(=O)COCCCCCCCCCl 34a_100000033203_100000188475 [0,2,0,0,0,0|0,0,0]=2 15650 B15R0.366 CCOC(=O)COCCCCCCCCCl 7a_100000033203_100000188475 [0,2,0,0,0,0|0,0,0]=2 15651 B15R0.366 CCOC(=O)COCCCCCCCCN 34a_102515433106_100000188475 [0,2,0,0,0,0|0,0,0]=2 15652 B15R0.366 CCOC(=O)COCCCCCNCCN 34a_103619048469_100000188475 [0,2,0,0,0,0|1,0,0]=3 15653 B15R0.366 CCOC(=O)COCCCNCCCCO 2230a_100000750430_100009893628 [0,2,0,0,0,0|1,0,0]=3 15654 B15R0.366 CCOC(=O)COCCCNCCCCO 34a_100000750430_100009893628 [0,2,0,0,0,0|1,0,0]=3 15655 B15R0.366 CCOC(=O)COCCCNCCCOC 34a_100150723488_100009893628 [0,2,0,0,0,0|1,0,0]=3 15656 B15R0.366 CCOC(=O)COCCCNCCCSC 2230a_100000749238_100009893628 [0,2,0,0,0,0|1,0,0]=3 15657 B15R0.366 CCOC(=O)COCCCNCCSCC 2230a_100000106463_100009893628 [0,2,0,0,0,0|1,0,0]=3 15658 B15R0.366 CCOC(=O)COCCCOCCCCBr 34a_100011216708_100009893628 [0,2,0,0,0,0|1,0,0]=3 15659 B15R0.366 CCOC(=O)COCCCOCCCCCl 34a_100000210776_100009893628 [0,2,0,0,0,0|1,0,0]=3 15660 B15R0.366 CCOC(=O)COCCCOCCCCCl 7a_100000210776_100009893628 [0,2,0,0,0,0|1,0,0]=3 15661 B15R0.366 CCOC(=O)COCCCOCCCCF 34a_100011995726_100009893628 [0,2,0,0,0,0|1,0,0]=3 15662 B15R0.366 CCOC(=O)COCCCOCCCCF 7a_100011995726_100009893628 [0,2,0,0,0,0|1,0,0]=3 15663 B15R0.366 CCOC(=O)COCCCOCCCCI 34a_200012148704_100009893628 [0,2,0,0,0,0|1,0,0]=3 15664 B15R0.366 CCOC(=O)COCCCOCCCCN 34a_100000750430_100009893628 [0,2,0,0,0,0|1,0,0]=3 15665 B15R0.366 CCOC(=O)COCCCOCCCNC 34a_100000213112_100009893628 [0,2,0,0,0,0|1,0,0]=3 15666 B15R0.366 CCOC(=O)COCCCOCCCOC 34a_100000740835_100009893628 [0,2,0,0,0,0|1,0,0]=3 15667 B15R0.366 CCOC(=O)COCCCOCCCOC 34a_200011215475_100000188475 [0,2,0,0,0,0|1,0,0]=3 15668 B15R0.366 CCOC(=O)COCCCOCCCOC 7a_200011215475_100000188475 [0,2,0,0,0,0|1,0,0]=3 15669 B15R0.366 CCOC(=O)COCCCOCCCSC 34a_100000690336_100009893628 [0,2,0,0,0,0|1,0,0]=3 15670 B15R0.366 CCOC(=O)COCCCOCCCSC 7a_100000690336_100009893628 [0,2,0,0,0,0|1,0,0]=3 15671 B15R0.366 CCOC(=O)COCCCOCCSCC 34a_100000212035_100009893628 [0,2,0,0,0,0|1,0,0]=3 15672 B15R0.366 CCOC(=O)COCCCOCCSCC 7a_100000212035_100009893628 [0,2,0,0,0,0|1,0,0]=3 15673 B15R0.366 CCOC(=O)COCCCSCCCC#N 62a_100000687738_100009893628 [0,2,0,0,0,0|1,0,1]=4 15674 B15R0.366 CCOC(=O)COCCCSCCCC#N 62a_100009893628_100000687738 [0,2,0,0,0,0|1,0,1]=4 15675 B15R0.366 CCOC(=O)COCCCSCCCC=O 62a_100009893628_200011292268 [0,2,0,0,0,0|1,0,1]=4 15676 B15R0.366 CCOC(=O)COCCCSCCCC=O 62a_200011292268_100009893628 [0,2,0,0,0,0|1,0,1]=4 15677 B15R0.366 CCOC(=O)COCCCSCCCCF 62a_100000729493_100009893628 [0,2,0,0,0,0|1,0,0]=3 15678 B15R0.366 CCOC(=O)COCCCSCCCCF 62a_100009893628_100000729493 [0,2,0,0,0,0|1,0,0]=3 15679 B15R0.366 CCOC(=O)COCCCSCCCCO 62a_100000210776_100009893628 [0,2,0,0,0,0|1,0,0]=3 15680 B15R0.366 CCOC(=O)COCCCSCCCCO 62a_100009893628_100000210776 [0,2,0,0,0,0|1,0,0]=3 15681 B15R0.366 CCOC(=O)COCCCSCCCOC 62a_100000709357_100009893628 [0,2,0,0,0,0|1,0,0]=3 15682 B15R0.366 CCOC(=O)COCCCSCCCOC 62a_100009893628_100000709357 [0,2,0,0,0,0|1,0,0]=3 15683 B15R0.366 CCOC(=O)COCCCSCCSCC 62a_100000757381_100009893628 [0,2,0,0,0,0|1,0,0]=3 15684 B15R0.366 CCOC(=O)COCCCSCCSCC 62a_100009893628_100000757381 [0,2,0,0,0,0|1,0,0]=3 15685 B15R0.366 CCOC(=O)COCCNCCCCCO 2230a_100000762737_100000088970 [0,2,0,0,0,0|1,0,0]=3 15686 B15R0.366 CCOC(=O)COCCNCCCCCO 34a_100000762737_100000088970 [0,2,0,0,0,0|1,0,0]=3 15687 B15R0.366 CCOC(=O)COCCNCCOCCO 2230a_100000211614_100000088970 [0,2,0,0,0,0|2,0,0]=4 15688 B15R0.366 CCOC(=O)COCCNCCOCCO 34a_100000211614_100000088970 [0,2,0,0,0,0|2,0,0]=4 15689 B15R0.366 CCOC(=O)COCCNCCSCCO 2230a_100011219999_100000088970 [0,2,0,0,0,0|2,0,0]=4 15690 B15R0.366 CCOC(=O)COCCOCCCCCBr 34a_100000746331_100000088970 [0,2,0,0,0,0|1,0,0]=3 15691 B15R0.366 CCOC(=O)COCCOCCCCCBr 7a_100000746331_100000088970 [0,2,0,0,0,0|1,0,0]=3 15692 B15R0.366 CCOC(=O)COCCOCCCCCCl 34a_100000746330_100000088970 [0,2,0,0,0,0|1,0,0]=3 15693 B15R0.366 CCOC(=O)COCCOCCCCCCl 7a_100000746330_100000088970 [0,2,0,0,0,0|1,0,0]=3 15694 B15R0.366 CCOC(=O)COCCOCCCCCI 34a_200012148887_100000088970 [0,2,0,0,0,0|1,0,0]=3 15695 B15R0.366 CCOC(=O)COCCOCCCCCI 7a_200012148887_100000088970 [0,2,0,0,0,0|1,0,0]=3 15696 B15R0.366 CCOC(=O)COCCOCCCCCN 34a_100000762737_100000088970 [0,2,0,0,0,0|1,0,0]=3 15697 B15R0.366 CCOC(=O)COCCOCCCCOC 34a_100000740925_100000088970 [0,2,0,0,0,0|1,0,0]=3 15698 B15R0.366 CCOC(=O)COCCOCCCCSC 34a_100011217163_100000088970 [0,2,0,0,0,0|1,0,0]=3 15699 B15R0.366 CCOC(=O)COCCOCCCCSC 7a_100011217163_100000088970 [0,2,0,0,0,0|1,0,0]=3 15700 B15R0.366 CCOC(=O)COCCOCCCSCC 34a_100011216438_100000088970 [0,2,0,0,0,0|1,0,0]=3 15701 B15R0.366 CCOC(=O)COCCOCCCSCC 7a_100011216438_100000088970 [0,2,0,0,0,0|1,0,0]=3 15702 B15R0.366 CCOC(=O)COCCOCCOCCBr 34a_100000692535_100000088970 [0,2,0,0,0,0|2,0,0]=4 15703 B15R0.366 CCOC(=O)COCCOCCOCCBr 34a_100010132937_100000188475 [0,2,0,0,0,0|2,0,0]=4 15704 B15R0.366 CCOC(=O)COCCOCCOCCBr 7a_100000692535_100000088970 [0,2,0,0,0,0|2,0,0]=4 15705 B15R0.366 CCOC(=O)COCCOCCOCCBr 7a_100010132937_100000188475 [0,2,0,0,0,0|2,0,0]=4 15706 B15R0.366 CCOC(=O)COCCOCCOCCCl 34a_100000032323_100000188475 [0,2,0,0,0,0|2,0,0]=4 15707 B15R0.366 CCOC(=O)COCCOCCOCCCl 34a_100011215305_100000088970 [0,2,0,0,0,0|2,0,0]=4 15708 B15R0.366 CCOC(=O)COCCOCCOCCCl 7a_100000032323_100000188475 [0,2,0,0,0,0|2,0,0]=4 15709 B15R0.366 CCOC(=O)COCCOCCOCCCl 7a_100011215305_100000088970 [0,2,0,0,0,0|2,0,0]=4 15710 B15R0.366 CCOC(=O)COCCOCCOCCF 34a_200015357709_100000088970 [0,2,0,0,0,0|2,0,0]=4 15711 B15R0.366 CCOC(=O)COCCOCCOCCF 7a_200015357709_100000088970 [0,2,0,0,0,0|2,0,0]=4 15712 B15R0.366 CCOC(=O)COCCOCCOCCI 34a_100012149058_100000088970 [0,2,0,0,0,0|2,0,0]=4 15713 B15R0.366 CCOC(=O)COCCOCCOCCI 7a_100012149058_100000088970 [0,2,0,0,0,0|2,0,0]=4 15714 B15R0.366 CCOC(=O)COCCOCCOCCN 34a_100000211614_100000088970 [0,2,0,0,0,0|2,0,0]=4 15715 B15R0.366 CCOC(=O)COCCOCCOCCN 34a_100011998139_100000188475 [0,2,0,0,0,0|2,0,0]=4 15716 B15R0.366 CCOC(=O)COCCSCCCCC#N 62a_100000088970_100000211819 [0,2,0,0,0,0|1,0,1]=4 15717 B15R0.366 CCOC(=O)COCCSCCCCC#N 62a_100011219923_100000088970 [0,2,0,0,0,0|1,0,1]=4 15718 B15R0.366 CCOC(=O)COCCSCCCCC=O 62a_100000088970_100000139335 [0,2,0,0,0,0|1,0,1]=4 15719 B15R0.366 CCOC(=O)COCCSCCCCC=O 62a_100000139335_100000088970 [0,2,0,0,0,0|1,0,1]=4 15720 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000088970_100000729378 [0,2,0,0,0,0|1,0,0]=3 15721 B15R0.366 CCOC(=O)COCCSCCCCCF 62a_100000729378_100000088970 [0,2,0,0,0,0|1,0,0]=3 15722 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000088970_100000746330 [0,2,0,0,0,0|1,0,0]=3 15723 B15R0.366 CCOC(=O)COCCSCCCCCO 62a_100000746330_100000088970 [0,2,0,0,0,0|1,0,0]=3 15724 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000088970_100000730899 [0,2,0,0,0,0|1,0,0]=3 15725 B15R0.366 CCOC(=O)COCCSCCCCOC 62a_100000730899_100000088970 [0,2,0,0,0,0|1,0,0]=3 15726 B15R0.366 CCOC(=O)COCCSCCOCCO 62a_100000088970_100011215305 [0,2,0,0,0,0|2,0,0]=4 15727 B15R0.366 CCOC(=O)COCCSCCOCCO 62a_100011215305_100000088970 [0,2,0,0,0,0|2,0,0]=4 15728 B15R0.366 CCOC(=O)COCCSCOCCOC 62a_100000088970_100000231047 [0,2,0,0,0,0|2,0,0]=4 15729 B15R0.366 CCOC(=O)COCCSCOCCOC 62a_100000231047_100000088970 [0,2,0,0,0,0|2,0,0]=4 15730 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000033203_100000188475 [0,2,0,0,0,0|0,0,0]=2 15731 B15R0.366 CCOC(=O)CSCCCCCCCCO 62a_100000188475_100000033203 [0,2,0,0,0,0|0,0,0]=2 15732 B15R0.366 CCOC(=O)CSCCOCCCCC#N 7a_200000230590_100000211819 [0,2,0,0,0,0|1,0,1]=4 15733 B15R0.366 CCOC(=O)CSCCOCCCCC=O 7a_200000230590_100000139335 [0,2,0,0,0,0|1,0,1]=4 15734 B15R0.366 CCOC(=O)CSCCOCCCCCF 7a_200000230590_100000729378 [0,2,0,0,0,0|1,0,0]=3 15735 B15R0.366 CCOC(=O)CSCCOCCCCCO 7a_200000230590_100000746330 [0,2,0,0,0,0|1,0,0]=3 15736 B15R0.366 CCOC(=O)CSCCOCCCCOC 7a_200000230590_100000730899 [0,2,0,0,0,0|1,0,0]=3 15737 B15R0.366 CCOC(=O)CSCCOCCOCCO 62a_100000032323_100000188475 [0,2,0,0,0,0|2,0,0]=4 15738 B15R0.366 CCOC(=O)CSCCOCCOCCO 62a_100000188475_100000032323 [0,2,0,0,0,0|2,0,0]=4 15739 B15R0.366 CCOC(=O)CSCCOCCOCCO 7a_200000230590_100011215305 [0,2,0,0,0,0|2,0,0]=4 15740 B15R0.366 CCOC(=O)NCCOCCCCCCBr 7a_100011215345_200011445536 [0,2,0,0,0,0|1,0,0]=3 15741 B15R0.366 CCOC(=O)NCCOCCCCCCCl 7a_100000766143_200011445536 [0,2,0,0,0,0|1,0,0]=3 15742 B15R0.366 CCOC(=O)NCCOCCCCCCF 34a_100000158857_100015922095 [0,2,0,0,0,0|1,0,0]=3 15743 B15R0.366 CCOC(=O)NCCOCCCCCCF 7a_100000732779_200011445536 [0,2,0,0,0,0|1,0,0]=3 15744 B15R0.366 CCOC(=O)NCCOCCCCCCO 34a_100000158857_100000766143 [0,2,0,0,0,0|1,0,0]=3 15745 B15R0.366 CCOC(=O)NCCOCCOCCOC 34a_100000158857_100000695917 [0,2,0,0,0,0|2,0,0]=4 15746 B15R0.366 CCOC(=O)NCCOCCOCCOC 7a_100011215163_200011445536 [0,2,0,0,0,0|2,0,0]=4 15747 B15R0.366 CCOC(=O)NCCSCCCCCC#N 62a_100009813376_200011445536 [0,2,0,0,0,0|1,0,1]=4 15748 B15R0.366 CCOC(=O)NCCSCCCCCC=O 62a_100000139337_200011445536 [0,2,0,0,0,0|1,0,1]=4 15749 B15R0.366 CCOC(=O)NCCSCCCCCCF 62a_100015922095_200011445536 [0,2,0,0,0,0|1,0,0]=3 15750 B15R0.366 CCOC(=O)NCCSCCCCCCO 62a_100000766143_200011445536 [0,2,0,0,0,0|1,0,0]=3 15751 B15R0.366 CCOC(=O)NCCSCCOCCOC 62a_100000695917_200011445536 [0,2,0,0,0,0|2,0,0]=4 15752 B15R0.366 CCOC(=O)OCSCCCCCCC#N 62a_100009813337_100000075025 [0,2,0,0,0,0|1,0,1]=4 15753 B15R0.366 CCOC(=O)OCSCCCCCCCO 62a_100000760002_100000075025 [0,2,0,0,0,0|1,0,0]=3 15754 B15R0.366 CCOC(=O)OCSCCCCCCOC 62a_100011998445_100000075025 [0,2,0,0,0,0|1,0,0]=3 15755 B15R0.366 CCOC(=O)OCSCCCOCCOC 62a_100011216529_100000075025 [0,2,0,0,0,0|2,0,0]=4 15756 B15R0.366 CCOCCCCCCCCC(=O)OCC 34a_100121572206_100010175975 [0,2,0,0,0,0|0,0,0]=2 15757 B15R0.366 CCOCCCNCCCCC(=O)OCC 2230a_100000210961_100000750268 [0,2,0,0,0,0|0,0,0]=2 15758 B15R0.366 CCOCCCNCCCCC(=O)OCC 34a_100000210961_100000750268 [0,2,0,0,0,0|0,0,0]=2 15759 B15R0.366 CCOCCCNCCOCC(=O)OCC 2230a_100000210961_100000088970 [0,2,0,0,0,0|1,0,0]=3 15760 B15R0.366 CCOCCCNCCOCC(=O)OCC 34a_100000210961_100000088970 [0,2,0,0,0,0|1,0,0]=3 15761 B15R0.366 CCOCCCOCCCCC(=O)OCC 34a_100000757476_100000750268 [0,2,0,0,0,0|0,0,0]=2 15762 B15R0.366 CCOCCCOCCCCC(=O)OCC 7a_100000757476_100000750268 [0,2,0,0,0,0|0,0,0]=2 15763 B15R0.366 CCOCCCOCCOCC(=O)OCC 34a_100000757476_100000088970 [0,2,0,0,0,0|1,0,0]=3 15764 B15R0.366 CCOCCCOCCOCC(=O)OCC 7a_100000757476_100000088970 [0,2,0,0,0,0|1,0,0]=3 15765 B15R0.366 CCOCCCOCCSCC(=O)OCC 7a_200000230590_100012232248 [0,2,0,0,0,0|1,0,0]=3 15766 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100000750268_100012232248 [0,2,0,0,0,0|0,0,0]=2 15767 B15R0.366 CCOCCCSCCCCC(=O)OCC 62a_100012232248_100000750268 [0,2,0,0,0,0|0,0,0]=2 15768 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100000088970_100012232248 [0,2,0,0,0,0|1,0,0]=3 15769 B15R0.366 CCOCCCSCCOCC(=O)OCC 62a_100012232248_100000088970 [0,2,0,0,0,0|1,0,0]=3 15770 B15R0.366 CCOCCNCCCCCC(=O)OCC 2230a_102516460346_100000755133 [0,2,0,0,0,0|0,0,0]=2 15771 B15R0.366 CCOCCNCCCCCC(=O)OCC 34a_102516460346_100000755133 [0,2,0,0,0,0|0,0,0]=2 15772 B15R0.366 CCOCCNCCCOCC(=O)OCC 2230a_102516460346_100009893628 [0,2,0,0,0,0|1,0,0]=3 15773 B15R0.366 CCOCCNCCCOCC(=O)OCC 34a_102516460346_100009893628 [0,2,0,0,0,0|1,0,0]=3 15774 B15R0.366 CCOCCOCCCCCC(=O)OCC 34a_100000210136_100000755133 [0,2,0,0,0,0|0,0,0]=2 15775 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100000210136_100000755133 [0,2,0,0,0,0|0,0,0]=2 15776 B15R0.366 CCOCCOCCCCCC(=O)OCC 7a_100011214988_100011215890 [0,2,0,0,0,0|0,0,0]=2 15777 B15R0.366 CCOCCOCCCOCC(=O)OCC 34a_100000210136_100009893628 [0,2,0,0,0,0|1,0,0]=3 15778 B15R0.366 CCOCCOCCCOCC(=O)OCC 7a_100000210136_100009893628 [0,2,0,0,0,0|1,0,0]=3 15779 B15R0.366 CCOCCOCCNCCC(=O)OCC 2230a_100102712874_100011206558 [0,2,0,0,0,0|1,0,0]=3 15780 B15R0.366 CCOCCOCCNCCC(=O)OCC 34a_100102712874_100000765890 [0,2,0,0,0,0|1,0,0]=3 15781 B15R0.366 CCOCCOCCOCCC(=O)OCC 34a_100000210240_100000765890 [0,2,0,0,0,0|1,0,0]=3 15782 B15R0.366 CCOCCOCCOCCC(=O)OCC 34a_100010737887_100000210202 [0,2,0,0,0,0|1,0,0]=3 15783 B15R0.366 CCOCCOCCOCCC(=O)OCC 7a_100000210240_100011206558 [0,2,0,0,0,0|1,0,0]=3 15784 B15R0.366 CCOCCOCCOCCC(=O)OCC 7a_100010737887_100000210202 [0,2,0,0,0,0|1,0,0]=3 15785 B15R0.366 CCOCCOCCSCCC(=O)OCC 62a_100000765890_100011211534 [0,2,0,0,0,0|1,0,0]=3 15786 B15R0.366 CCOCCOCCSCCC(=O)OCC 62a_100011211534_100000765890 [0,2,0,0,0,0|1,0,0]=3 15787 B15R0.366 CCOCCOCCSCOC(=O)OCC 62a_100011211534_100000075025 [0,2,0,0,0,0|2,0,0]=4 15788 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000210147_100000755133 [0,2,0,0,0,0|0,0,0]=2 15789 B15R0.366 CCOCCSCCCCCC(=O)OCC 62a_100000755133_100011215890 [0,2,0,0,0,0|0,0,0]=2 15790 B15R0.366 CCOCCSCCCOCC(=O)OCC 62a_100000210147_100009893628 [0,2,0,0,0,0|1,0,0]=3 15791 B15R0.366 CCOCCSCCCOCC(=O)OCC 62a_100009893628_100011215890 [0,2,0,0,0,0|1,0,0]=3 15792 B15R0.366 CCOCSCCCCCCC(=O)OCC 62a_100000739092_100009814379 [0,2,0,0,0,0|0,0,0]=2 15793 B15R0.366 CNNC(=O)CCCCCCCCCCO 22a_100016993582_200000016029 [0,2,0,0,0,0|2,0,0]=4 15794 B15R0.366 CNNC(=O)NCCCCCCCCCO 273464a_100000078944_100016993582 [0,2,0,0,0,0|2,0,0]=4 15795 B15R0.366 CNNC(=O)NCCCCCCCCCO 512a_100000078944_100016993582 [0,2,0,0,0,0|2,0,0]=4 15796 B15R0.366 CNNC(=O)NCCCCCCCCCO 512a_100016993582_100000078944 [0,2,0,0,0,0|2,0,0]=4 15797 B15R0.366 COCC(=O)CCCCCCCCCCO 1458a_100000210968_100009813290 [0,2,0,0,0,0|2,0,0]=4 15798 B15R0.366 COCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210968 [0,2,0,0,0,0|2,0,0]=4 15799 B15R0.366 CSCC(=O)CCCCCCCCCCO 1458a_100000184570_100009813290 [0,2,0,0,0,0|2,0,0]=4 15800 B15R0.366 CSCC(=O)NCCCCCCCCCO 240690a_100000078944_100000184570 [0,2,0,0,0,0|2,0,0]=4 15801 B15R0.366 NCCCCCCCCOCC(=O)NCO 34a_102515433106_100000185155 [0,2,0,0,0,0|2,0,0]=4 15802 B15R0.366 O=C(CCO)CCCCCCCCCCO 1458a_100011216618_100009813290 [0,2,0,0,0,0|2,0,0]=4 15803 B15R0.366 O=C(CCO)NCCCCCCCCCO 240690a_100000078944_100011216618 [0,2,0,0,0,0|2,0,0]=4 15804 B15R0.366 O=C(CNCCCCCCCCO)NCO 2230a_102515433106_100000185155 [0,2,0,0,0,0|2,0,0]=4 15805 B15R0.366 O=C(CNCCCCCCCCO)NCO 34a_102515433106_100000185155 [0,2,0,0,0,0|2,0,0]=4 15806 B15R0.366 O=C(COCCCCCCCCBr)NCO 34a_100009813846_100000185155 [0,2,0,0,0,0|2,0,0]=4 15807 B15R0.366 O=C(COCCCCCCCCBr)NCO 7a_100009813846_100000185155 [0,2,0,0,0,0|2,0,0]=4 15808 B15R0.366 O=C(COCCCCCCCCCl)NCO 34a_100000033203_100000185155 [0,2,0,0,0,0|2,0,0]=4 15809 B15R0.366 O=C(COCCCCCCCCCl)NCO 7a_100000033203_100000185155 [0,2,0,0,0,0|2,0,0]=4 15810 B15R0.366 O=C(CSCCCCCCCCO)NCO 62a_100000033203_100000185155 [0,2,0,0,0,0|2,0,0]=4 15811 B15R0.366 O=C(CSCCCCCCCCO)NCO 62a_100000185155_100000033203 [0,2,0,0,0,0|2,0,0]=4 15812 B15R0.384 C#CC(=O)CCCCCCCC(=O)OCC 1458a_100000211873_100009991516 [0,2,0,0,0,0|0,0,2]=4 15813 B15R0.384 C#CC(C)NCCCCCCC(=O)OCC 2230a_100000707721_100009814379 [0,2,0,0,0,0|1,0,0]=3 15814 B15R0.384 C#CC(C)NCCCCCCC(=O)OCC 34a_100000707721_100009814379 [0,2,0,0,0,0|1,0,0]=3 15815 B15R0.384 C#CC(C)SCCCCCCC(=O)OCC 62a_200000035995_100009814379 [0,2,0,0,0,0|1,0,0]=3 15816 B15R0.384 C#CC(O)CCCCCSCC(=O)OCC 62a_100000188475_200010408556 [0,2,0,0,0,0|0,0,2]=4 15817 B15R0.384 C#CC(O)CCCCCSCC(=O)OCC 62a_200010408556_100000188475 [0,2,0,0,0,0|0,0,2]=4 15818 B15R0.384 C#C[C@@H](C)OCCCCCCC(=O)OCC 34a_100009815206_100009814379 [0,2,0,0,0,0|1,0,0]=3 15819 B15R0.384 C#C[C@@H](C)OCCCCCCC(=O)OCC 7a_100009815206_100009814379 [0,2,0,0,0,0|1,0,0]=3 15820 B15R0.384 C=CC(=O)CCCCCCCC(=O)OCC 1458a_100000185746_100009991516 [0,2,0,0,0,0|0,0,2]=4 15821 B15R0.384 C=CC(C)COCCCCCC(=O)OCC 34a_100011215527_100000755133 [0,2,0,0,0,0|1,0,0]=3 15822 B15R0.384 C=CC(C)COCCCCCC(=O)OCC 7a_100011215527_100000755133 [0,2,0,0,0,0|1,0,0]=3 15823 B15R0.384 C=CC(C)COCCCOCC(=O)OCC 34a_100011215527_100009893628 [0,2,0,0,0,0|2,0,0]=4 15824 B15R0.384 C=CC(C)COCCCOCC(=O)OCC 7a_100011215527_100009893628 [0,2,0,0,0,0|2,0,0]=4 15825 B15R0.384 C=CC(C)OCCCCCCC(=O)OCC 34a_100000695699_100009814379 [0,2,0,0,0,0|1,0,0]=3 15826 B15R0.384 C=CC(C)SCCCCCCC(=O)OCC 62a_100011215867_100009814379 [0,2,0,0,0,0|1,0,0]=3 15827 B15R0.384 C=CC(O)COCCCCCC(=O)OCC 7a_100011214988_100000730141 [0,2,0,0,0,0|0,0,2]=4 15828 B15R0.384 C=CC(O)CSCCCCCC(=O)OCC 62a_100000730141_100000755133 [0,2,0,0,0,0|0,0,2]=4 15829 B15R0.384 C=CC(O)CSCCCCCC(=O)OCC 62a_100000755133_100000730141 [0,2,0,0,0,0|0,0,2]=4 15830 B15R0.384 C=C[C@H](N)COCCCCCC(=O)OCC 34a_100016989147_100000755133 [0,2,0,0,0,0|0,0,2]=4 15831 B15R0.384 CCC(C)CCCCCOCC(=O)NCO 7a_200000035636_100000185155 [0,2,0,0,0,0|2,0,0]=4 15832 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000033222_100000210303 [0,2,0,0,0,0|1,0,1]=4 15833 B15R0.384 CCCC(=O)CCCCCCCC(=O)OC 1458a_100000211992_100010004213 [0,2,0,0,0,0|1,0,1]=4 15834 B15R0.384 CCCC(=O)COCCCCCC(C)CC 7a_200000035636_100000747444 [0,2,0,0,0,0|1,0,0]=3 15835 B15R0.384 CCNC(=O)CCCCCCCC(=O)OC 11a_100015525214_100000033222 [0,2,0,0,0,0|1,0,1]=4 15836 B15R0.384 CCNC(=O)CCCCCCCC(=O)OC 240690a_100015525214_100000033222 [0,2,0,0,0,0|1,0,1]=4 15837 B15R0.384 CCNC(=O)COCCCCCC(C)CC 7a_200000035636_100000183381 [0,2,0,0,0,0|1,0,0]=3 15838 B15R0.384 CCOC(=O)/C=C/COCCCC(C)CC 7a_100011216074_100016267167 [0,2,0,0,0,0|0,0,2]=4 15839 B15R0.384 CCOC(=O)CCCCC=NNC(C)CC 4a_100000718999_100012182868 [0,2,0,0,0,0|1,0,1]=4 15840 B15R0.384 CCOC(=O)CCCCCCCC(=O)CC 1458a_100000210414_100009991516 [0,2,0,0,0,0|0,0,0]=2 15841 B15R0.384 CCOC(=O)CCCCCCCC(=O)CO 1458a_100000210174_100009991516 [0,2,0,0,0,0|0,0,1]=3 15842 B15R0.384 CCOC(=O)CCCCCCCN(C)CC 2230a_100000225621_100009991516 [0,2,0,0,0,0|0,0,0]=2 15843 B15R0.384 CCOC(=O)CCCCCCCN(C)CC 269982a_100000225621_100009991516 [0,2,0,0,0,0|0,0,0]=2 15844 B15R0.384 CCOC(=O)CCCCCCNC(=O)CC 188690a_100000741137_100000210414 [0,2,0,0,0,0|0,0,1]=3 15845 B15R0.384 CCOC(=O)CCCCCCNC(=O)CO 188690a_100000741137_100000210174 [0,2,0,0,0,0|1,0,1]=4 15846 B15R0.384 CCOC(=O)CCCCCCNC(C)C#N 2230a_100000737613_100009814379 [0,2,0,0,0,0|1,0,0]=3 15847 B15R0.384 CCOC(=O)CCCCCCNC(C)CC 2230a_100000209981_100009814379 [0,2,0,0,0,0|0,0,0]=2 15848 B15R0.384 CCOC(=O)CCCCCCN[C@H](C)CO 2230a_100000737577_100009814379 [0,2,0,0,0,0|1,0,0]=3 15849 B15R0.384 CCOC(=O)CCCCCCOC(C)C#N 34a_100011218135_100009814379 [0,2,0,0,0,0|1,0,0]=3 15850 B15R0.384 CCOC(=O)CCCCCCOC(C)CC 7a_100000210228_100009814379 [0,2,0,0,0,0|0,0,0]=2 15851 B15R0.384 CCOC(=O)CCCCCCOC(C)CF 34a_100016041109_100009814379 [0,2,0,0,0,0|1,0,0]=3 15852 B15R0.384 CCOC(=O)CCCCCCOC(C)CF 7a_100016041109_100009814379 [0,2,0,0,0,0|1,0,0]=3 15853 B15R0.384 CCOC(=O)CCCCCCOC(C)CN 34a_100000210904_100009814379 [0,2,0,0,0,0|1,0,0]=3 15854 B15R0.384 CCOC(=O)CCCCCCSC(C)C#N 62a_100000703298_100009814379 [0,2,0,0,0,0|1,0,0]=3 15855 B15R0.384 CCOC(=O)CCCCCCSC(C)CC 62a_100000758301_100009814379 [0,2,0,0,0,0|0,0,0]=2 15856 B15R0.384 CCOC(=O)CCCCCCSC(C)CO 62a_100012180447_100009814379 [0,2,0,0,0,0|1,0,0]=3 15857 B15R0.384 CCOC(=O)CCCCCCSC(C)OC 62a_100009879195_100009814379 [0,2,0,0,0,0|1,0,0]=3 15858 B15R0.384 CCOC(=O)CCCCCCSC(F)C#N 62a_200000117898_100009814379 [0,2,0,0,0,0|1,0,1]=4 15859 B15R0.384 CCOC(=O)CCCCCCS[C@H](C)CO 62a_100016084084_100009814379 [0,2,0,0,0,0|1,0,0]=3 15860 B15R0.384 CCOC(=O)CCCCCNCC(=O)NC 2230a_100000693194_100000755133 [0,2,0,0,0,0|1,0,1]=4 15861 B15R0.384 CCOC(=O)CCCCCNCC(C)CC 2230a_100020588543_100000755133 [0,2,0,0,0,0|0,0,0]=2 15862 B15R0.384 CCOC(=O)CCCCCNCC(C)CO 34a_100000744482_100000755133 [0,2,0,0,0,0|1,0,0]=3 15863 B15R0.384 CCOC(=O)CCCCCNCC(O)CC 2230a_100011218483_100000755133 [0,2,0,0,0,0|0,0,0]=2 15864 B15R0.384 CCOC(=O)CCCCCNC[C@@H](C)OC 2230a_100020591295_100000755133 [0,2,0,0,0,0|1,0,0]=3 15865 B15R0.384 CCOC(=O)CCCCCNC[C@@H](F)CO 34a_100015665980_100000755133 [0,2,0,0,0,0|1,0,0]=3 15866 B15R0.384 CCOC(=O)CCCCCNC[C@H](O)CO 2230a_100020644852_100000755133 [0,2,0,0,0,0|1,0,0]=3 15867 B15R0.384 CCOC(=O)CCCCCOCC(=O)CC 34a_100000725409_100000755133 [0,2,0,0,0,0|0,0,1]=3 15868 B15R0.384 CCOC(=O)CCCCCOCC(=O)CC 7a_100011214988_100000747405 [0,2,0,0,0,0|0,0,1]=3 15869 B15R0.384 CCOC(=O)CCCCCOCC(=O)NC 34a_100000750040_100000755133 [0,2,0,0,0,0|1,0,1]=4 15870 B15R0.384 CCOC(=O)CCCCCOCC(=O)NC 7a_100011214988_100000183359 [0,2,0,0,0,0|1,0,1]=4 15871 B15R0.384 CCOC(=O)CCCCCOCC(=O)OC 7a_100011214988_100000747449 [0,2,0,0,0,0|1,0,1]=4 15872 B15R0.384 CCOC(=O)CCCCCOCC(C)CC 7a_100011214988_100000748023 [0,2,0,0,0,0|0,0,0]=2 15873 B15R0.384 CCOC(=O)CCCCCOCC(C)CN 34a_100000744482_100000755133 [0,2,0,0,0,0|1,0,0]=3 15874 B15R0.384 CCOC(=O)CCCCCOCC(C)OC 34a_100000690652_100000755133 [0,2,0,0,0,0|1,0,0]=3 15875 B15R0.384 CCOC(=O)CCCCCOCC(Cl)CCl 34a_100000033668_100000755133 [0,2,0,0,0,0|1,0,0]=3 15876 B15R0.384 CCOC(=O)CCCCCOCC(O)CC 7a_100011214988_100011218378 [0,2,0,0,0,0|0,0,0]=2 15877 B15R0.384 CCOC(=O)CCCCCOCC(O)CO 7a_100011214988_100011219619 [0,2,0,0,0,0|1,0,0]=3 15878 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CC 7a_100009816381_100000755133 [0,2,0,0,0,0|0,0,0]=2 15879 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CC 7a_100011214988_100009816398 [0,2,0,0,0,0|0,0,0]=2 15880 B15R0.384 CCOC(=O)CCCCCOC[C@@H](C)CO 7a_100011214988_100000059175 [0,2,0,0,0,0|1,0,0]=3 15881 B15R0.384 CCOC(=O)CCCCCOC[C@@H](O)CF 7a_100011214988_100015614560 [0,2,0,0,0,0|1,0,0]=3 15882 B15R0.384 CCOC(=O)CCCCCOC[C@@H](O)CO 7a_100011214988_100009815848 [0,2,0,0,0,0|1,0,0]=3 15883 B15R0.384 CCOC(=O)CCCCCOC[C@H](F)CN 34a_100015665980_100000755133 [0,2,0,0,0,0|1,0,0]=3 15884 B15R0.384 CCOC(=O)CCCCCSCC(=O)CC 62a_100000747405_100000755133 [0,2,0,0,0,0|0,0,1]=3 15885 B15R0.384 CCOC(=O)CCCCCSCC(=O)CC 62a_100000755133_100000747405 [0,2,0,0,0,0|0,0,1]=3 15886 B15R0.384 CCOC(=O)CCCCCSCC(=O)NC 62a_100000183359_100000755133 [0,2,0,0,0,0|1,0,1]=4 15887 B15R0.384 CCOC(=O)CCCCCSCC(=O)NC 62a_100000755133_100000183359 [0,2,0,0,0,0|1,0,1]=4 15888 B15R0.384 CCOC(=O)CCCCCSCC(=O)OC 62a_100000747449_100000755133 [0,2,0,0,0,0|1,0,1]=4 15889 B15R0.384 CCOC(=O)CCCCCSCC(=O)OC 62a_100000755133_100000747449 [0,2,0,0,0,0|1,0,1]=4 15890 B15R0.384 CCOC(=O)CCCCCSCC(C)CC 62a_100000748023_100000755133 [0,2,0,0,0,0|0,0,0]=2 15891 B15R0.384 CCOC(=O)CCCCCSCC(C)CC 62a_100000755133_100000748023 [0,2,0,0,0,0|0,0,0]=2 15892 B15R0.384 CCOC(=O)CCCCCSCC(O)CC 62a_100000755133_100011218378 [0,2,0,0,0,0|0,0,0]=2 15893 B15R0.384 CCOC(=O)CCCCCSCC(O)CC 62a_100011218378_100000755133 [0,2,0,0,0,0|0,0,0]=2 15894 B15R0.384 CCOC(=O)CCCCCSCC(O)CO 62a_100000755133_100011219619 [0,2,0,0,0,0|1,0,0]=3 15895 B15R0.384 CCOC(=O)CCCCCSCC(O)CO 62a_100011219619_100000755133 [0,2,0,0,0,0|1,0,0]=3 15896 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CC 62a_100000755133_100009816398 [0,2,0,0,0,0|0,0,0]=2 15897 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CC 62a_100009816398_100000755133 [0,2,0,0,0,0|0,0,0]=2 15898 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CO 62a_100000059175_100000755133 [0,2,0,0,0,0|1,0,0]=3 15899 B15R0.384 CCOC(=O)CCCCCSC[C@@H](C)CO 62a_100000755133_100000059175 [0,2,0,0,0,0|1,0,0]=3 15900 B15R0.384 CCOC(=O)CCCCCSC[C@@H](O)CF 62a_100000755133_100015614560 [0,2,0,0,0,0|1,0,0]=3 15901 B15R0.384 CCOC(=O)CCCCCSC[C@@H](O)CF 62a_100015614560_100000755133 [0,2,0,0,0,0|1,0,0]=3 15902 B15R0.384 CCOC(=O)CCCCCSC[C@@H](O)CO 62a_100000755133_100009815848 [0,2,0,0,0,0|1,0,0]=3 15903 B15R0.384 CCOC(=O)CCCCCSC[C@@H](O)CO 62a_100009815848_100000755133 [0,2,0,0,0,0|1,0,0]=3 15904 B15R0.384 CCOC(=O)CCCCNCCC(=O)NC 2230a_100000738227_100000750268 [0,2,0,0,0,0|1,0,1]=4 15905 B15R0.384 CCOC(=O)CCCCNCCC(=O)NC 34a_100000738227_100000750268 [0,2,0,0,0,0|1,0,1]=4 15906 B15R0.384 CCOC(=O)CCCCNCCC(C)CC 2230a_100020591266_100000750268 [0,2,0,0,0,0|0,0,0]=2 15907 B15R0.384 CCOC(=O)CCCCNCCC(C)CO 2230a_106354213184_100000750268 [0,2,0,0,0,0|1,0,0]=3 15908 B15R0.384 CCOC(=O)CCCCNCCC(C)CO 34a_106354213184_100000750268 [0,2,0,0,0,0|1,0,0]=3 15909 B15R0.384 CCOC(=O)CCCCOCCC(=O)NC 34a_100000754576_100000750268 [0,2,0,0,0,0|1,0,1]=4 15910 B15R0.384 CCOC(=O)CCCCOCCC(C)CC 7a_100011215188_100000750268 [0,2,0,0,0,0|0,0,0]=2 15911 B15R0.384 CCOC(=O)CCCCOCCC(C)OC 7a_100000764861_100000750268 [0,2,0,0,0,0|1,0,0]=3 15912 B15R0.384 CCOC(=O)CCCCSCCC(=O)NC 62a_100000737683_100000750268 [0,2,0,0,0,0|1,0,1]=4 15913 B15R0.384 CCOC(=O)CCCCSCCC(=O)NC 62a_100000750268_100000737683 [0,2,0,0,0,0|1,0,1]=4 15914 B15R0.384 CCOC(=O)CCCCSCCC(=O)OC 62a_100000204255_100000750268 [0,2,0,0,0,0|1,0,1]=4 15915 B15R0.384 CCOC(=O)CCCCSCCC(=O)OC 62a_100000750268_100000204255 [0,2,0,0,0,0|1,0,1]=4 15916 B15R0.384 CCOC(=O)CCCNCCCC(=O)NC 2230a_100000740002_100009991533 [0,2,0,0,0,0|1,0,1]=4 15917 B15R0.384 CCOC(=O)CCCNCCCC(=O)NC 34a_100000740002_100009991533 [0,2,0,0,0,0|1,0,1]=4 15918 B15R0.384 CCOC(=O)CCCNCCNC(=O)CC 34a_100132302217_100009991533 [0,2,0,0,0,0|1,0,1]=4 15919 B15R0.384 CCOC(=O)CCCOCCCC(=O)NC 7a_100012001163_100000741757 [0,2,0,0,0,0|1,0,1]=4 15920 B15R0.384 CCOC(=O)CCCOCCCC(=O)OC 7a_100012001163_100011218270 [0,2,0,0,0,0|1,0,1]=4 15921 B15R0.384 CCOC(=O)CCCOCCCC(C)CC 7a_100011216074_100011215271 [0,2,0,0,0,0|0,0,0]=2 15922 B15R0.384 CCOC(=O)CCCOCCCN(C)CC 7a_100012001163_100015186262 [0,2,0,0,0,0|1,0,0]=3 15923 B15R0.384 CCOC(=O)CCCOCCC[C@@H](C)CN 34a_100160569302_100009991533 [0,2,0,0,0,0|1,0,0]=3 15924 B15R0.384 CCOC(=O)CCCOCCNC(=O)CC 34a_200000158885_100009991533 [0,2,0,0,0,0|1,0,1]=4 15925 B15R0.384 CCOC(=O)CCCOCCNC(=O)CC 7a_200000158885_100011215271 [0,2,0,0,0,0|1,0,1]=4 15926 B15R0.384 CCOC(=O)CCCOCCOC(=O)CC 7a_200000031056_100011215271 [0,2,0,0,0,0|1,0,1]=4 15927 B15R0.384 CCOC(=O)CCCSCCCC(=O)NC 62a_100000741757_100009991533 [0,2,0,0,0,0|1,0,1]=4 15928 B15R0.384 CCOC(=O)CCCSCCCC(=O)NC 62a_100009991533_100000741757 [0,2,0,0,0,0|1,0,1]=4 15929 B15R0.384 CCOC(=O)CCCSCCCC(=O)OC 62a_100009991533_100011218270 [0,2,0,0,0,0|1,0,1]=4 15930 B15R0.384 CCOC(=O)CCCSCCCC(=O)OC 62a_100011218270_100009991533 [0,2,0,0,0,0|1,0,1]=4 15931 B15R0.384 CCOC(=O)CCCSCCCN(C)CC 62a_100009991533_100015186262 [0,2,0,0,0,0|1,0,0]=3 15932 B15R0.384 CCOC(=O)CCOCCCCC(=O)OC 34a_100000059025_100000765890 [0,2,0,0,0,0|1,0,1]=4 15933 B15R0.384 CCOC(=O)CCOCCCCC(=O)OC 7a_100000059025_100011206558 [0,2,0,0,0,0|1,0,1]=4 15934 B15R0.384 CCOC(=O)CCSCCCCC(=O)OC 62a_100000204269_100000765890 [0,2,0,0,0,0|1,0,1]=4 15935 B15R0.384 CCOC(=O)CCSCCCCC(=O)OC 62a_100000765890_100000204269 [0,2,0,0,0,0|1,0,1]=4 15936 B15R0.384 CCOC(=O)COCCCCCC(=O)OC 34a_100000074720_100000188475 [0,2,0,0,0,0|1,0,1]=4 15937 B15R0.384 CCOC(=O)COCCCCCC(=O)OC 7a_100000074720_100000188475 [0,2,0,0,0,0|1,0,1]=4 15938 B15R0.384 CCOC(=O)COCCCCCC(C)CC 7a_200000035636_100000188475 [0,2,0,0,0,0|0,0,0]=2 15939 B15R0.384 CCOC(=O)COCCCNCC(C)CC 2230a_100020588543_100009893628 [0,2,0,0,0,0|1,0,0]=3 15940 B15R0.384 CCOC(=O)COCCCNCC(C)CO 34a_100000744482_100009893628 [0,2,0,0,0,0|2,0,0]=4 15941 B15R0.384 CCOC(=O)COCCCNCC(O)CC 2230a_100011218483_100009893628 [0,2,0,0,0,0|1,0,0]=3 15942 B15R0.384 CCOC(=O)COCCCNC[C@@H](C)OC 2230a_100020591295_100009893628 [0,2,0,0,0,0|2,0,0]=4 15943 B15R0.384 CCOC(=O)COCCCNC[C@@H](F)CO 34a_100015665980_100009893628 [0,2,0,0,0,0|2,0,0]=4 15944 B15R0.384 CCOC(=O)COCCCNC[C@H](O)CO 2230a_100020644852_100009893628 [0,2,0,0,0,0|2,0,0]=4 15945 B15R0.384 CCOC(=O)COCCCOCC(=O)CC 34a_100000725409_100009893628 [0,2,0,0,0,0|1,0,1]=4 15946 B15R0.384 CCOC(=O)COCCCOCC(C)CN 34a_100000744482_100009893628 [0,2,0,0,0,0|2,0,0]=4 15947 B15R0.384 CCOC(=O)COCCCOCC(C)OC 34a_100000690652_100009893628 [0,2,0,0,0,0|2,0,0]=4 15948 B15R0.384 CCOC(=O)COCCCOCC(Cl)CCl 34a_100000033668_100009893628 [0,2,0,0,0,0|2,0,0]=4 15949 B15R0.384 CCOC(=O)COCCCOC[C@@H](C)CC 7a_100009816381_100009893628 [0,2,0,0,0,0|1,0,0]=3 15950 B15R0.384 CCOC(=O)COCCCOC[C@H](F)CN 34a_100015665980_100009893628 [0,2,0,0,0,0|2,0,0]=4 15951 B15R0.384 CCOC(=O)COCCCSCC(=O)CC 62a_100000747405_100009893628 [0,2,0,0,0,0|1,0,1]=4 15952 B15R0.384 CCOC(=O)COCCCSCC(=O)CC 62a_100009893628_100000747405 [0,2,0,0,0,0|1,0,1]=4 15953 B15R0.384 CCOC(=O)COCCCSCC(C)CC 62a_100000748023_100009893628 [0,2,0,0,0,0|1,0,0]=3 15954 B15R0.384 CCOC(=O)COCCCSCC(C)CC 62a_100009893628_100000748023 [0,2,0,0,0,0|1,0,0]=3 15955 B15R0.384 CCOC(=O)COCCCSCC(O)CC 62a_100009893628_100011218378 [0,2,0,0,0,0|1,0,0]=3 15956 B15R0.384 CCOC(=O)COCCCSCC(O)CC 62a_100011218378_100009893628 [0,2,0,0,0,0|1,0,0]=3 15957 B15R0.384 CCOC(=O)COCCCSCC(O)CO 62a_100009893628_100011219619 [0,2,0,0,0,0|2,0,0]=4 15958 B15R0.384 CCOC(=O)COCCCSCC(O)CO 62a_100011219619_100009893628 [0,2,0,0,0,0|2,0,0]=4 15959 B15R0.384 CCOC(=O)COCCCSC[C@@H](C)CC 62a_100009816398_100009893628 [0,2,0,0,0,0|1,0,0]=3 15960 B15R0.384 CCOC(=O)COCCCSC[C@@H](C)CC 62a_100009893628_100009816398 [0,2,0,0,0,0|1,0,0]=3 15961 B15R0.384 CCOC(=O)COCCCSC[C@@H](C)CO 62a_100000059175_100009893628 [0,2,0,0,0,0|2,0,0]=4 15962 B15R0.384 CCOC(=O)COCCCSC[C@@H](C)CO 62a_100009893628_100000059175 [0,2,0,0,0,0|2,0,0]=4 15963 B15R0.384 CCOC(=O)COCCCSC[C@@H](O)CF 62a_100009893628_100015614560 [0,2,0,0,0,0|2,0,0]=4 15964 B15R0.384 CCOC(=O)COCCCSC[C@@H](O)CF 62a_100015614560_100009893628 [0,2,0,0,0,0|2,0,0]=4 15965 B15R0.384 CCOC(=O)COCCCSC[C@@H](O)CO 62a_100009815848_100009893628 [0,2,0,0,0,0|2,0,0]=4 15966 B15R0.384 CCOC(=O)COCCCSC[C@@H](O)CO 62a_100009893628_100009815848 [0,2,0,0,0,0|2,0,0]=4 15967 B15R0.384 CCOC(=O)COCCNCCC(C)CC 2230a_100020591266_100000088970 [0,2,0,0,0,0|1,0,0]=3 15968 B15R0.384 CCOC(=O)COCCNCCC(C)CO 2230a_106354213184_100000088970 [0,2,0,0,0,0|2,0,0]=4 15969 B15R0.384 CCOC(=O)COCCNCCC(C)CO 34a_106354213184_100000088970 [0,2,0,0,0,0|2,0,0]=4 15970 B15R0.384 CCOC(=O)COCCOCCC(C)CC 7a_100011215188_100000088970 [0,2,0,0,0,0|1,0,0]=3 15971 B15R0.384 CCOC(=O)COCCOCCC(C)OC 7a_100000764861_100000088970 [0,2,0,0,0,0|2,0,0]=4 15972 B15R0.384 CCOC(=O)CSCCCCCC(=O)OC 62a_100000188475_100009816466 [0,2,0,0,0,0|1,0,1]=4 15973 B15R0.384 CCOC(=O)CSCCCCCC(=O)OC 62a_100009816466_100000188475 [0,2,0,0,0,0|1,0,1]=4 15974 B15R0.384 CCOC(=O)NCCOCCCC(C)CC 7a_100011216074_200011445536 [0,2,0,0,0,0|1,0,0]=3 15975 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC 270084a_100015525214_200011217601 [0,2,0,0,0,0|2,0,0]=4 15976 B15R0.1157 CCCCCCCCCCS(=O)(=O)NCC 274078a_100015525214_200011217601 [0,2,0,0,0,0|2,0,0]=4 15977 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC 270084a_100000212291_100000211391 [0,2,0,0,0,0|2,0,0]=4 15978 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC 274078a_100000212291_100000211391 [0,2,0,0,0,0|2,0,0]=4 15979 B15R0.1157 CCCCCCCCCNS(=O)(=O)CCC 40a_100000212291_100000054278 [0,2,0,0,0,0|2,0,0]=4 15980 B15R0.1157 CCCCCCCCSC[Si](C)(C)OCC 62a_100000210759_200000065227 [0,2,0,0,0,0|1,1,0]=4 15981 B15R0.1157 CCCCCCCCSC[Si](C)(C)OCC 62a_200000065227_100000210317 [0,2,0,0,0,0|1,1,0]=4 15982 B15R0.1157 CCCCCCNCCC[Si](C)(C)OCC 2230a_100000210581_100000070546 [0,2,0,0,0,0|1,1,0]=4 15983 B15R0.1157 CCCCCCOCCC[Si](C)(C)OCC 34a_100000210259_100000070546 [0,2,0,0,0,0|1,1,0]=4 15984 B15R0.1157 CCCCCCOCCC[Si](C)(C)OCC 7a_100000210259_100000070546 [0,2,0,0,0,0|1,1,0]=4 15985 B15R0.1157 CCCCCCSCCC[Si](C)(C)OCC 62a_100000070546_100000210757 [0,2,0,0,0,0|1,1,0]=4 15986 B15R0.1157 CCCCCCSCCC[Si](C)(C)OCC 62a_100000210314_100000070546 [0,2,0,0,0,0|1,1,0]=4 15987 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000753159 [0,2,0,0,0,0|1,0,1]=4 15988 B15R0.2002 C#CCCC(=O)CCCCCCCCCC 1458a_100000692101_100000210319 [0,2,0,0,0,0|1,0,1]=4 15989 B15R0.2002 C#CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000753159 [0,2,0,0,0,0|1,0,1]=4 15990 B15R0.2002 C#CCCC(=O)CCCCCCCCCO 1458a_100000692101_100009813782 [0,2,0,0,0,0|1,0,1]=4 15991 B15R0.2002 C#CCCC(=O)CCOCCCCCCC 34a_100011064465_100000210614 [0,2,0,0,0,0|1,0,1]=4 15992 B15R0.2002 C#CCCC(=O)CCOCCCCCCC 7a_100011064465_100000210614 [0,2,0,0,0,0|1,0,1]=4 15993 B15R0.2002 C#CCCC(=O)COCCCCCCCC 1458a_100000759886_100000753159 [0,2,0,0,0,0|1,0,1]=4 15994 B15R0.2002 C#CCCC(=O)NCCCCCCCCC 11a_100000212291_100000692101 [0,2,0,0,0,0|1,0,1]=4 15995 B15R0.2002 C#CCCC(=O)NCCCCCCCCC 1626a_100000212291_100000692101 [0,2,0,0,0,0|1,0,1]=4 15996 B15R0.2002 C#CCCC(=O)NCCCCCCCCC 240690a_100000212291_100000692101 [0,2,0,0,0,0|1,0,1]=4 15997 B15R0.2002 C#CCCC(=O)NCCCCCCCCC 527a_100000212291_100000692101 [0,2,0,0,0,0|1,0,1]=4 15998 B15R0.2002 C#CCCCCCCCCC(=O)CCCC 1458a_100000029693_100000210211 [0,2,0,0,0,0|1,0,1]=4 15999 B15R0.2002 C#CCCCCCCCCC(=O)CCCF 1458a_100000029693_100011934791 [0,2,0,0,0,0|1,0,1]=4 16000 B15R0.2002 C#CCCCCCCCCC(=O)CCCO 1458a_100000029693_100011215043 [0,2,0,0,0,0|1,0,1]=4 16001 B15R0.2002 C#CCCCCCCCCC(=O)CCOC 1458a_100000029693_100000233755 [0,2,0,0,0,0|1,0,1]=4 16002 B15R0.2002 C#CCCCCCCCCC(=O)CCSC 1458a_100000029693_100000751147 [0,2,0,0,0,0|1,0,1]=4 16003 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 11a_100020643023_100000029693 [0,2,0,0,0,0|1,0,1]=4 16004 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000029693 [0,2,0,0,0,0|1,0,1]=4 16005 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000029693 [0,2,0,0,0,0|1,0,1]=4 16006 B15R0.2002 C#CCCCCCCCCC(=O)NCCC 527a_100020643023_100000029693 [0,2,0,0,0,0|1,0,1]=4 16007 B15R0.2002 C#CCCCCCCCCC(=O)NCCF 11a_100000724931_100000029693 [0,2,0,0,0,0|1,0,1]=4 16008 B15R0.2002 C#CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000029693 [0,2,0,0,0,0|1,0,1]=4 16009 B15R0.2002 C#CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000029693 [0,2,0,0,0,0|1,0,1]=4 16010 B15R0.2002 C#CCCCCCCCCC(=O)NCCF 527a_100000724931_100000029693 [0,2,0,0,0,0|1,0,1]=4 16011 B15R0.2002 C#CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000029693 [0,2,0,0,0,0|1,0,1]=4 16012 B15R0.2002 C#CCCCCCCCCC(=O)NCCO 527a_100000210304_100000029693 [0,2,0,0,0,0|1,0,1]=4 16013 B15R0.2002 C#CCCCCCCCCC(=O)NNCC 22a_100000756455_100000029693 [0,2,0,0,0,0|1,0,1]=4 16014 B15R0.2002 C#CCCCCCCOCC(=O)OCCC 34a_100011217361_200011215008 [0,2,0,0,0,0|0,0,2]=4 16015 B15R0.2002 C#CCCCCCCOCC(=O)OCCC 7a_100011217361_200011215008 [0,2,0,0,0,0|0,0,2]=4 16016 B15R0.2002 C#CCCCCCCSCC(=O)OCCC 62a_100012276617_200011215008 [0,2,0,0,0,0|0,0,2]=4 16017 B15R0.2002 C#CCCCCCCSCC(=O)OCCC 62a_200011215008_100012276617 [0,2,0,0,0,0|0,0,2]=4 16018 B15R0.2002 C#CCNC(=O)CCCCCCCCCC 11a_100000212058_100000210375 [0,2,0,0,0,0|1,0,1]=4 16019 B15R0.2002 C#CCNC(=O)CCCCCCCCCC 1626a_100000212058_100000210375 [0,2,0,0,0,0|1,0,1]=4 16020 B15R0.2002 C#CCNC(=O)CCCCCCCCCC 240690a_100000212058_100000210375 [0,2,0,0,0,0|1,0,1]=4 16021 B15R0.2002 C#CCNC(=O)CCCCCCCCCF 11a_100000212058_200009909015 [0,2,0,0,0,0|1,0,1]=4 16022 B15R0.2002 C#CCNC(=O)CCCCCCCCCF 240690a_100000212058_200009909015 [0,2,0,0,0,0|1,0,1]=4 16023 B15R0.2002 C#CCNC(=O)CCCCCCCCCF 527a_100000212058_200009909015 [0,2,0,0,0,0|1,0,1]=4 16024 B15R0.2002 C#CCNC(=O)CCCCCCCCCO 240690a_100000212058_100000032657 [0,2,0,0,0,0|1,0,1]=4 16025 B15R0.2002 C#CCNC(=O)CNCCCCCCCC 2230a_100000747989_100000210759 [0,2,0,0,0,0|1,0,1]=4 16026 B15R0.2002 C#CCNC(=O)CNCCCCCCCC 34a_100000747989_100000210759 [0,2,0,0,0,0|1,0,1]=4 16027 B15R0.2002 C#CCNC(=O)COCCCCCCCC 11a_100000212058_100000759886 [0,2,0,0,0,0|1,0,1]=4 16028 B15R0.2002 C#CCNC(=O)COCCCCCCCC 1626a_100000212058_100000759886 [0,2,0,0,0,0|1,0,1]=4 16029 B15R0.2002 C#CCNC(=O)COCCCCCCCC 240690a_100000212058_100000759886 [0,2,0,0,0,0|1,0,1]=4 16030 B15R0.2002 C#CCNC(=O)COCCCCCCCC 527a_100000212058_100000759886 [0,2,0,0,0,0|1,0,1]=4 16031 B15R0.2002 C#CCNC(=O)NCCCCCCCCC 2708a_100000212058_100000212291 [0,2,0,0,0,0|1,0,1]=4 16032 B15R0.2002 C#CCNC(=O)NCCCCCCCCC 2708a_100000212291_100000212058 [0,2,0,0,0,0|1,0,1]=4 16033 B15R0.2002 C#CCNC(=O)NCCCCCCCCC 273464a_100000212058_100000212291 [0,2,0,0,0,0|1,0,1]=4 16034 B15R0.2002 C#CCNC(=O)NCCCCCCCCC 273464a_100000212291_100000212058 [0,2,0,0,0,0|1,0,1]=4 16035 B15R0.2002 C#CCNC(=O)NCCCCCCCCC 512a_100000212058_100000212291 [0,2,0,0,0,0|1,0,1]=4 16036 B15R0.2002 C#CCNC(=O)NCCCCCCCCC 512a_100000212291_100000212058 [0,2,0,0,0,0|1,0,1]=4 16037 B15R0.2002 C/C=C/CC(=O)CCCCCCCCCC 1458a_100000210375_100102629194 [0,2,0,0,0,0|1,0,1]=4 16038 B15R0.2002 C/C=C/CC(=O)CCCCCCCCCF 1458a_200009909015_100102629194 [0,2,0,0,0,0|1,0,1]=4 16039 B15R0.2002 C/C=C/CC(=O)COCCCCCCCC 1458a_100000759886_100102629194 [0,2,0,0,0,0|1,0,1]=4 16040 B15R0.2002 C=C(CNCCCCCCCC)OCOC 34a_100000229939_100000042856 [0,2,0,0,0,0|1,0,0]=3 16041 B15R0.2002 C=C(CNCCCCCCCO)OCOC 34a_100011996573_100000042856 [0,2,0,0,0,0|2,0,0]=4 16042 B15R0.2002 C=C(CNCCCOCCCC)OCOC 34a_200000211371_100000042856 [0,2,0,0,0,0|2,0,0]=4 16043 B15R0.2002 C=C(COCCCCCCCBr)OCOC 34a_100000760002_100000042856 [0,2,0,0,0,0|2,0,0]=4 16044 B15R0.2002 C=C(COCCCCCCCC)OCOC 34a_100000210232_100000042856 [0,2,0,0,0,0|1,0,0]=3 16045 B15R0.2002 C=C(COCCCCCCCN)OCOC 34a_100011996573_100000042856 [0,2,0,0,0,0|2,0,0]=4 16046 B15R0.2002 C=C(COCCCCCCOC)OCOC 34a_200012092642_100000042856 [0,2,0,0,0,0|2,0,0]=4 16047 B15R0.2002 C=C(COCCCOCCCC)OCOC 34a_200011215613_100000042856 [0,2,0,0,0,0|2,0,0]=4 16048 B15R0.2002 C=C(COCCNCCCCC)OCOC 34a_100000224656_100000042856 [0,2,0,0,0,0|2,0,0]=4 16049 B15R0.2002 C=C(COCCOCCCCC)OCOC 34a_100011215259_100000042856 [0,2,0,0,0,0|2,0,0]=4 16050 B15R0.2002 C=C(CSCCCCCCCC)OCOC 62a_100000042856_100000210317 [0,2,0,0,0,0|1,0,0]=3 16051 B15R0.2002 C=C(CSCCCCCCCC)OCOC 62a_100000210759_100000042856 [0,2,0,0,0,0|1,0,0]=3 16052 B15R0.2002 C=C(CSCCCCCCCO)OCOC 62a_100000042856_100000760002 [0,2,0,0,0,0|2,0,0]=4 16053 B15R0.2002 C=C(CSCCCCCCCO)OCOC 62a_100000760002_100000042856 [0,2,0,0,0,0|2,0,0]=4 16054 B15R0.2002 C=C(CSCCCCCCOC)OCOC 62a_100000042856_100011998445 [0,2,0,0,0,0|2,0,0]=4 16055 B15R0.2002 C=C(CSCCCCCCOC)OCOC 62a_100011998445_100000042856 [0,2,0,0,0,0|2,0,0]=4 16056 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000210375_100000754431 [0,2,0,0,0,0|1,0,1]=4 16057 B15R0.2002 C=CCCC(=O)CCCCCCCCCC 1458a_100000749702_100000210319 [0,2,0,0,0,0|1,0,1]=4 16058 B15R0.2002 C=CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000754431 [0,2,0,0,0,0|1,0,1]=4 16059 B15R0.2002 C=CCCC(=O)CCCCCCCCCO 1458a_100000749702_100009813782 [0,2,0,0,0,0|1,0,1]=4 16060 B15R0.2002 C=CCCC(=O)COCCCCCCCC 1458a_100000759886_100000754431 [0,2,0,0,0,0|1,0,1]=4 16061 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 11a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 16062 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 1626a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 16063 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 240690a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 16064 B15R0.2002 C=CCCC(=O)NCCCCCCCCC 527a_100000212291_100000749702 [0,2,0,0,0,0|1,0,1]=4 16065 B15R0.2002 C=CCCCCCCCCC(=O)C#CCC 1458a_100011827653_100011933949 [0,2,0,0,0,0|1,0,1]=4 16066 B15R0.2002 C=CCCCCCCCCC(=O)C=CCC 1458a_100000212282_100011933949 [0,2,0,0,0,0|1,0,1]=4 16067 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000210183_100011933949 [0,2,0,0,0,0|1,0,1]=4 16068 B15R0.2002 C=CCCCCCCCCC(=O)CCCC 1458a_100000211349_100000210211 [0,2,0,0,0,0|1,0,1]=4 16069 B15R0.2002 C=CCCCCCCCCC(=O)CCCF 1458a_100000211349_100011934791 [0,2,0,0,0,0|1,0,1]=4 16070 B15R0.2002 C=CCCCCCCCCC(=O)CCCO 1458a_100000211349_100011215043 [0,2,0,0,0,0|1,0,1]=4 16071 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000211349_100000233755 [0,2,0,0,0,0|1,0,1]=4 16072 B15R0.2002 C=CCCCCCCCCC(=O)CCOC 1458a_100000749529_100011933949 [0,2,0,0,0,0|1,0,1]=4 16073 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000174002_100011933949 [0,2,0,0,0,0|1,0,1]=4 16074 B15R0.2002 C=CCCCCCCCCC(=O)CCSC 1458a_100000211349_100000751147 [0,2,0,0,0,0|1,0,1]=4 16075 B15R0.2002 C=CCCCCCCCCC(=O)COCC 1458a_100000211967_100011933949 [0,2,0,0,0,0|0,0,1]=3 16076 B15R0.2002 C=CCCCCCCCCC(=O)CSCC 1458a_100000230394_100011933949 [0,2,0,0,0,0|0,1,1]=4 16077 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 11a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 16078 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 1626a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 16079 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 240690a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 16080 B15R0.2002 C=CCCCCCCCCC(=O)NCCC 527a_100020643023_100000211349 [0,2,0,0,0,0|1,0,1]=4 16081 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 11a_100000724931_100000211349 [0,2,0,0,0,0|1,0,1]=4 16082 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 1626a_100000724931_100000211349 [0,2,0,0,0,0|1,0,1]=4 16083 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 240690a_100000724931_100000211349 [0,2,0,0,0,0|1,0,1]=4 16084 B15R0.2002 C=CCCCCCCCCC(=O)NCCF 527a_100000724931_100000211349 [0,2,0,0,0,0|1,0,1]=4 16085 B15R0.2002 C=CCCCCCCCCC(=O)NCCO 240690a_100000210304_100000211349 [0,2,0,0,0,0|1,0,1]=4 16086 B15R0.2002 C=CCCCCCCCCC(=O)NCCO 527a_100000210304_100000211349 [0,2,0,0,0,0|1,0,1]=4 16087 B15R0.2002 C=CCCCCCCCCC(=O)NNCC 22a_100000756455_100000211349 [0,2,0,0,0,0|1,0,1]=4 16088 B15R0.2002 C=CCCCCCCOCC(=O)OCCC 34a_200011216477_200011215008 [0,2,0,0,0,0|0,0,2]=4 16089 B15R0.2002 C=CCCCCCCOCC(=O)OCCC 7a_200011216477_200011215008 [0,2,0,0,0,0|0,0,2]=4 16090 B15R0.2002 C=CCCCCCCSCC(=O)OCCC 62a_100011215473_200011215008 [0,2,0,0,0,0|0,0,2]=4 16091 B15R0.2002 C=CCCCCCCSCC(=O)OCCC 62a_200011215008_100011215473 [0,2,0,0,0,0|0,0,2]=4 16092 B15R0.2002 C=CCNC(=O)CCCCCCCCCC 1626a_100020586998_100000210375 [0,2,0,0,0,0|1,0,1]=4 16093 B15R0.2002 C=CCNC(=O)CCCCCCCCCC 240690a_100020586998_100000210375 [0,2,0,0,0,0|1,0,1]=4 16094 B15R0.2002 C=CCNC(=O)CCCCCCCCCF 240690a_100020586998_200009909015 [0,2,0,0,0,0|1,0,1]=4 16095 B15R0.2002 C=CCNC(=O)CCCCCCCCCF 527a_100020586998_200009909015 [0,2,0,0,0,0|1,0,1]=4 16096 B15R0.2002 C=CCNC(=O)CCCCCCCCCO 240690a_100020586998_100000032657 [0,2,0,0,0,0|1,0,1]=4 16097 B15R0.2002 C=CCNC(=O)CCNCCCCCCC 2230a_100000229938_100011222895 [0,2,0,0,0,0|1,0,1]=4 16098 B15R0.2002 C=CCNC(=O)CCOCCCCCCC 7a_100000210272_100011222895 [0,2,0,0,0,0|1,0,1]=4 16099 B15R0.2002 C=CCNC(=O)CCSCCCCCCC 62a_100000210614_100011222895 [0,2,0,0,0,0|1,0,1]=4 16100 B15R0.2002 C=CCNC(=O)CCSCCCCCCC 62a_100011222895_100000210316 [0,2,0,0,0,0|1,0,1]=4 16101 B15R0.2002 C=CCNC(=O)CNCCCCCCCC 2230a_100000229939_100000183597 [0,2,0,0,0,0|1,0,1]=4 16102 B15R0.2002 C=CCNC(=O)COCCCCCCCC 1626a_100020586998_100000759886 [0,2,0,0,0,0|1,0,1]=4 16103 B15R0.2002 C=CCNC(=O)COCCCCCCCC 240690a_100020586998_100000759886 [0,2,0,0,0,0|1,0,1]=4 16104 B15R0.2002 C=CCNC(=O)COCCCCCCCC 527a_100020586998_100000759886 [0,2,0,0,0,0|1,0,1]=4 16105 B15R0.2002 C=CCNC(=O)COCCCCCCCC 7a_100000210232_100000183597 [0,2,0,0,0,0|1,0,1]=4 16106 B15R0.2002 C=CCNC(=O)CSCCCCCCCC 62a_100000183597_100000210317 [0,2,0,0,0,0|1,0,1]=4 16107 B15R0.2002 C=CCNC(=O)CSCCCCCCCC 62a_100000210759_100000183597 [0,2,0,0,0,0|1,0,1]=4 16108 B15R0.2002 C=CCNC(=O)NCCCCCCCCC 2708a_100000212291_100020586998 [0,2,0,0,0,0|1,0,1]=4 16109 B15R0.2002 C=CCNC(=O)NCCCCCCCCC 273464a_100000212291_100020586998 [0,2,0,0,0,0|1,0,1]=4 16110 B15R0.2002 C=CCNC(=O)NCCCCCCCCC 273464a_100020586998_100000212291 [0,2,0,0,0,0|1,0,1]=4 16111 B15R0.2002 C=CCNC(=O)NCCCCCCCCC 512a_100000212291_100020586998 [0,2,0,0,0,0|1,0,1]=4 16112 B15R0.2002 C=CCNC(=O)NCCCCCCCCC 512a_100020586998_100000212291 [0,2,0,0,0,0|1,0,1]=4 16113 B15R0.2002 C=CCOC(=O)CNCCCCCCCC 2230a_100000229939_100000033060 [0,2,0,0,0,0|0,0,1]=3 16114 B15R0.2002 C=CCOC(=O)CNCCCCCCCC 34a_100000229939_100000033060 [0,2,0,0,0,0|0,0,1]=3 16115 B15R0.2002 C=CCOC(=O)CNCCCCCCCO 2230a_100011996573_100000033060 [0,2,0,0,0,0|1,0,1]=4 16116 B15R0.2002 C=CCOC(=O)CNCCCCCCCO 34a_100011996573_100000033060 [0,2,0,0,0,0|1,0,1]=4 16117 B15R0.2002 C=CCOC(=O)CNCCCOCCCC 2230a_200000211371_100000033060 [0,2,0,0,0,0|1,0,1]=4 16118 B15R0.2002 C=CCOC(=O)CNCCCOCCCC 34a_200000211371_100000033060 [0,2,0,0,0,0|1,0,1]=4 16119 B15R0.2002 C=CCOC(=O)COCCCCCCCBr 34a_100000760002_100000033060 [0,2,0,0,0,0|1,0,1]=4 16120 B15R0.2002 C=CCOC(=O)COCCCCCCCBr 7a_100000760002_100000033060 [0,2,0,0,0,0|1,0,1]=4 16121 B15R0.2002 C=CCOC(=O)COCCCCCCCC 34a_100000210232_100000033060 [0,2,0,0,0,0|0,0,1]=3 16122 B15R0.2002 C=CCOC(=O)COCCCCCCCC 7a_100000210232_100000033060 [0,2,0,0,0,0|0,0,1]=3 16123 B15R0.2002 C=CCOC(=O)COCCCCCCCN 34a_100011996573_100000033060 [0,2,0,0,0,0|1,0,1]=4 16124 B15R0.2002 C=CCOC(=O)COCCCCCCOC 34a_200012092642_100000033060 [0,2,0,0,0,0|1,0,1]=4 16125 B15R0.2002 C=CCOC(=O)COCCCCCCOC 7a_200012092642_100000033060 [0,2,0,0,0,0|1,0,1]=4 16126 B15R0.2002 C=CCOC(=O)COCCCOCCCC 34a_200011215613_100000033060 [0,2,0,0,0,0|1,0,1]=4 16127 B15R0.2002 C=CCOC(=O)COCCCOCCCC 7a_200011215613_100000033060 [0,2,0,0,0,0|1,0,1]=4 16128 B15R0.2002 C=CCOC(=O)COCCNCCCCC 34a_100000224656_100000033060 [0,2,0,0,0,0|1,0,1]=4 16129 B15R0.2002 C=CCOC(=O)COCCOCCCCC 34a_100011215259_100000033060 [0,2,0,0,0,0|1,0,1]=4 16130 B15R0.2002 C=CCOC(=O)COCCOCCCCC 7a_100011215259_100000033060 [0,2,0,0,0,0|1,0,1]=4 16131 B15R0.2002 C=CCOC(=O)CSCCCCCCCC 62a_100000033060_100000210317 [0,2,0,0,0,0|0,0,1]=3 16132 B15R0.2002 C=CCOC(=O)CSCCCCCCCC 62a_100000210759_100000033060 [0,2,0,0,0,0|0,0,1]=3 16133 B15R0.2002 C=CCOC(=O)CSCCCCCCCO 62a_100000033060_100000760002 [0,2,0,0,0,0|1,0,1]=4 16134 B15R0.2002 C=CCOC(=O)CSCCCCCCCO 62a_100000760002_100000033060 [0,2,0,0,0,0|1,0,1]=4 16135 B15R0.2002 C=CCOC(=O)CSCCCCCCOC 62a_100000033060_100011998445 [0,2,0,0,0,0|1,0,1]=4 16136 B15R0.2002 C=CCOC(=O)CSCCCCCCOC 62a_100011998445_100000033060 [0,2,0,0,0,0|1,0,1]=4 16137 B15R0.2002 CC#CCC(=O)CCCCCCCCCC 1458a_100000210375_100000748600 [0,2,0,0,0,0|1,0,1]=4 16138 B15R0.2002 CC#CCC(=O)CCCCCCCCCF 1458a_200009909015_100000748600 [0,2,0,0,0,0|1,0,1]=4 16139 B15R0.2002 CC#CCC(=O)COCCCCCCCC 1458a_100000759886_100000748600 [0,2,0,0,0,0|1,0,1]=4 16140 B15R0.2002 CC#CCCCCCCCC(=O)CCCC 1458a_100000066323_100000210211 [0,2,0,0,0,0|1,0,1]=4 16141 B15R0.2002 CC#CCCCCCCCC(=O)CCCF 1458a_100000066323_100011934791 [0,2,0,0,0,0|1,0,1]=4 16142 B15R0.2002 CC#CCCCCCCCC(=O)CCCO 1458a_100000066323_100011215043 [0,2,0,0,0,0|1,0,1]=4 16143 B15R0.2002 CC#CCCCCCCCC(=O)CCOC 1458a_100000066323_100000233755 [0,2,0,0,0,0|1,0,1]=4 16144 B15R0.2002 CC#CCCCCCCCC(=O)CCSC 1458a_100000066323_100000751147 [0,2,0,0,0,0|1,0,1]=4 16145 B15R0.2002 CC#CCCCCCCCC(=O)NCCC 11a_100020643023_100000066323 [0,2,0,0,0,0|1,0,1]=4 16146 B15R0.2002 CC#CCCCCCCCC(=O)NCCC 1626a_100020643023_100000066323 [0,2,0,0,0,0|1,0,1]=4 16147 B15R0.2002 CC#CCCCCCCCC(=O)NCCC 240690a_100020643023_100000066323 [0,2,0,0,0,0|1,0,1]=4 16148 B15R0.2002 CC#CCCCCCCCC(=O)NCCC 527a_100020643023_100000066323 [0,2,0,0,0,0|1,0,1]=4 16149 B15R0.2002 CC#CCCCCCCCC(=O)NCCF 11a_100000724931_100000066323 [0,2,0,0,0,0|1,0,1]=4 16150 B15R0.2002 CC#CCCCCCCCC(=O)NCCF 1626a_100000724931_100000066323 [0,2,0,0,0,0|1,0,1]=4 16151 B15R0.2002 CC#CCCCCCCCC(=O)NCCF 240690a_100000724931_100000066323 [0,2,0,0,0,0|1,0,1]=4 16152 B15R0.2002 CC#CCCCCCCCC(=O)NCCF 527a_100000724931_100000066323 [0,2,0,0,0,0|1,0,1]=4 16153 B15R0.2002 CC#CCCCCCCCC(=O)NCCO 240690a_100000210304_100000066323 [0,2,0,0,0,0|1,0,1]=4 16154 B15R0.2002 CC#CCCCCCCCC(=O)NCCO 527a_100000210304_100000066323 [0,2,0,0,0,0|1,0,1]=4 16155 B15R0.2002 CC/C=C\CCCCOCC(=O)OCCC 34a_100016287862_200011215008 [0,2,0,0,0,0|0,0,2]=4 16156 B15R0.2002 CC/C=C\CCCCOCC(=O)OCCC 7a_100016287862_200011215008 [0,2,0,0,0,0|0,0,2]=4 16157 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100000210375_100000070051 [0,2,0,0,0,0|1,0,1]=4 16158 B15R0.2002 CC=CCC(=O)CCCCCCCCCC 1458a_100121576822_100000210319 [0,2,0,0,0,0|1,0,1]=4 16159 B15R0.2002 CC=CCC(=O)CCCCCCCCCF 1458a_200009909015_100000070051 [0,2,0,0,0,0|1,0,1]=4 16160 B15R0.2002 CC=CCC(=O)CCCCCCCCCO 1458a_100121576822_100009813782 [0,2,0,0,0,0|1,0,1]=4 16161 B15R0.2002 CC=CCC(=O)COCCCCCCCC 1458a_100000759886_100000070051 [0,2,0,0,0,0|1,0,1]=4 16162 B15R0.2002 CC=CCC(=O)NCCCCCCCCC 11a_100000212291_100121576822 [0,2,0,0,0,0|1,0,1]=4 16163 B15R0.2002 CC=CCC(=O)NCCCCCCCCC 1626a_100000212291_100121576822 [0,2,0,0,0,0|1,0,1]=4 16164 B15R0.2002 CC=CCC(=O)NCCCCCCCCC 240690a_100000212291_100121576822 [0,2,0,0,0,0|1,0,1]=4 16165 B15R0.2002 CC=CCC(=O)NCCCCCCCCC 527a_100000212291_100121576822 [0,2,0,0,0,0|1,0,1]=4 16166 B15R0.2002 CCC#CC(=O)CCCCCCCCCC 1458a_100011827653_100000210319 [0,2,0,0,0,0|1,0,0]=3 16167 B15R0.2002 CCC#CC(=O)CCCCCCCCCO 1458a_100011827653_100009813782 [0,2,0,0,0,0|1,0,0]=3 16168 B15R0.2002 CCC#CCCCCCCC(=O)C#CCC 1458a_100011827653_200000036426 [0,2,0,0,0,0|1,0,1]=4 16169 B15R0.2002 CCC#CCCCCCCC(=O)C=CCC 1458a_100000212282_200000036426 [0,2,0,0,0,0|1,0,1]=4 16170 B15R0.2002 CCC#CCCCCCCC(=O)CCCC 1458a_100000210183_200000036426 [0,2,0,0,0,0|1,0,1]=4 16171 B15R0.2002 CCC#CCCCCCCC(=O)CCOC 1458a_100000749529_200000036426 [0,2,0,0,0,0|1,0,1]=4 16172 B15R0.2002 CCC#CCCCCCCC(=O)CCSC 1458a_100000174002_200000036426 [0,2,0,0,0,0|1,0,1]=4 16173 B15R0.2002 CCC#CCCCCCCC(=O)COCC 1458a_100000211967_200000036426 [0,2,0,0,0,0|0,0,1]=3 16174 B15R0.2002 CCC#CCCCCCCC(=O)CSCC 1458a_100000230394_200000036426 [0,2,0,0,0,0|0,1,1]=4 16175 B15R0.2002 CCC=CC(=O)CCCCCCCCCC 1458a_100000212282_100000210319 [0,2,0,0,0,0|1,0,0]=3 16176 B15R0.2002 CCC=CC(=O)CCCCCCCCCO 1458a_100000212282_100009813782 [0,2,0,0,0,0|1,0,0]=3 16177 B15R0.2002 CCC=CC(=O)NCCCCCCCCC 11a_100000212291_100000212282 [0,2,0,0,0,0|1,0,0]=3 16178 B15R0.2002 CCC=CC(=O)NCCCCCCCCC 1626a_100000212291_100000212282 [0,2,0,0,0,0|1,0,0]=3 16179 B15R0.2002 CCC=CC(=O)NCCCCCCCCC 240690a_100000212291_100000212282 [0,2,0,0,0,0|1,0,0]=3 16180 B15R0.2002 CCC=CC(=O)NCCCCCCCCO 240690a_102515433106_100000212282 [0,2,0,0,0,0|2,0,0]=4 16181 B15R0.2002 CCCC/C=C\CCOCC(=O)OCCC 34a_200016286491_200011215008 [0,2,0,0,0,0|0,0,2]=4 16182 B15R0.2002 CCCC/C=C\CCOCC(=O)OCCC 7a_200016286491_200011215008 [0,2,0,0,0,0|0,0,2]=4 16183 B15R0.2002 CCCCC#CCCOCC(=O)OCCC 34a_100000037610_200011215008 [0,2,0,0,0,0|0,0,2]=4 16184 B15R0.2002 CCCCC#CCCOCC(=O)OCCC 7a_100000037610_200011215008 [0,2,0,0,0,0|0,0,2]=4 16185 B15R0.2002 CCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210211 [0,2,0,0,0,0|1,0,0]=3 16186 B15R0.2002 CCCCC(=O)CCCCCCCCCO 1458a_100000210183_100009813782 [0,2,0,0,0,0|1,0,0]=3 16187 B15R0.2002 CCCCC(=O)NCCCCCCCCO 240690a_102515433106_100000210183 [0,2,0,0,0,0|2,0,0]=4 16188 B15R0.2002 CCCCC/C=C/COCC(=O)OCCC 34a_100016258190_200011215008 [0,2,0,0,0,0|0,0,2]=4 16189 B15R0.2002 CCCCC/C=C/COCC(=O)OCCC 7a_100016258190_200011215008 [0,2,0,0,0,0|0,0,2]=4 16190 B15R0.2002 CCCCCC#CCOCC(=O)OCCC 34a_200000033628_200011215008 [0,2,0,0,0,0|0,0,2]=4 16191 B15R0.2002 CCCCCC#CCOCC(=O)OCCC 7a_200000033628_200011215008 [0,2,0,0,0,0|0,0,2]=4 16192 B15R0.2002 CCCCCC#CCSCC(=O)OCCC 62a_100009816472_200011215008 [0,2,0,0,0,0|0,0,2]=4 16193 B15R0.2002 CCCCCC#CCSCC(=O)OCCC 62a_200011215008_100009816472 [0,2,0,0,0,0|0,0,2]=4 16194 B15R0.2002 CCCCCCCC=NNC(=O)COCC 4a_100000216846_100000210592 [0,2,0,0,0,0|1,0,1]=4 16195 B15R0.2002 CCCCCCCCC=CC(=O)CCCC 1458a_100015345288_100000210211 [0,2,0,0,0,0|1,0,1]=4 16196 B15R0.2002 CCCCCCCCC=CC(=O)CCCF 1458a_100015345288_100011934791 [0,2,0,0,0,0|1,0,1]=4 16197 B15R0.2002 CCCCCCCCC=CC(=O)CCCO 1458a_100015345288_100011215043 [0,2,0,0,0,0|1,0,1]=4 16198 B15R0.2002 CCCCCCCCC=CC(=O)CCOC 1458a_100015345288_100000233755 [0,2,0,0,0,0|1,0,1]=4 16199 B15R0.2002 CCCCCCCCC=CC(=O)CCSC 1458a_100015345288_100000751147 [0,2,0,0,0,0|1,0,1]=4 16200 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 11a_100020643023_100015345288 [0,2,0,0,0,0|1,0,1]=4 16201 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 1626a_100020643023_100015345288 [0,2,0,0,0,0|1,0,1]=4 16202 B15R0.2002 CCCCCCCCC=CC(=O)NCCC 240690a_100020643023_100015345288 [0,2,0,0,0,0|1,0,1]=4 16203 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 11a_100000724931_100015345288 [0,2,0,0,0,0|1,0,1]=4 16204 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 1626a_100000724931_100015345288 [0,2,0,0,0,0|1,0,1]=4 16205 B15R0.2002 CCCCCCCCC=CC(=O)NCCF 240690a_100000724931_100015345288 [0,2,0,0,0,0|1,0,1]=4 16206 B15R0.2002 CCCCCCCCC=CC(=O)NCCO 240690a_100000210304_100015345288 [0,2,0,0,0,0|1,0,1]=4 16207 B15R0.2002 CCCCCCCCC=CC(=O)NNCC 22a_100000756455_100015345288 [0,2,0,0,0,0|1,0,1]=4 16208 B15R0.2002 CCCCCCCCCCC(=NNCC)C 4a_100000756455_200011219864 [0,2,0,0,0,0|2,0,0]=4 16209 B15R0.2002 CCCCCCCCCCC(=O)C#CCO 1458a_100000049017_100000210319 [0,2,0,0,0,0|1,0,1]=4 16210 B15R0.2002 CCCCCCCCCCC(=O)C=COC 1458a_100016268678_100000210319 [0,2,0,0,0,0|1,0,1]=4 16211 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100000210375_100011215226 [0,2,0,0,0,0|1,0,1]=4 16212 B15R0.2002 CCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100000210319 [0,2,0,0,0,0|1,0,1]=4 16213 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100000210319 [0,2,0,0,0,0|1,0,0]=3 16214 B15R0.2002 CCCCCCCCCCC(=O)CCCC 1458a_100000210375_100000210211 [0,2,0,0,0,0|1,0,0]=3 16215 B15R0.2002 CCCCCCCCCCC(=O)CCCF 1458a_100000210375_100011934791 [0,2,0,0,0,0|1,0,0]=3 16216 B15R0.2002 CCCCCCCCCCC(=O)CCCO 1458a_100000210375_100011215043 [0,2,0,0,0,0|1,0,0]=3 16217 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000210375_100000233755 [0,2,0,0,0,0|1,0,0]=3 16218 B15R0.2002 CCCCCCCCCCC(=O)CCOC 1458a_100000749529_100000210319 [0,2,0,0,0,0|1,0,0]=3 16219 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000174002_100000210319 [0,2,0,0,0,0|1,0,0]=3 16220 B15R0.2002 CCCCCCCCCCC(=O)CCSC 1458a_100000210375_100000751147 [0,2,0,0,0,0|1,0,0]=3 16221 B15R0.2002 CCCCCCCCCCC(=O)COCC 1458a_100000211967_100000210319 [0,2,0,0,0,0|0,0,0]=2 16222 B15R0.2002 CCCCCCCCCCC(=O)CSCC 1458a_100000230394_100000210319 [0,2,0,0,0,0|0,1,0]=3 16223 B15R0.2002 CCCCCCCCCCC(=O)NCC#N 1626a_100000734998_100000210375 [0,2,0,0,0,0|1,0,1]=4 16224 B15R0.2002 CCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210375 [0,2,0,0,0,0|1,0,0]=3 16225 B15R0.2002 CCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210375 [0,2,0,0,0,0|1,0,0]=3 16226 B15R0.2002 CCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210375 [0,2,0,0,0,0|1,0,0]=3 16227 B15R0.2002 CCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210375 [0,2,0,0,0,0|1,0,0]=3 16228 B15R0.2002 CCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210375 [0,2,0,0,0,0|1,0,0]=3 16229 B15R0.2002 CCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210375 [0,2,0,0,0,0|1,0,0]=3 16230 B15R0.2002 CCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210375 [0,2,0,0,0,0|1,0,0]=3 16231 B15R0.2002 CCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210375 [0,2,0,0,0,0|1,0,0]=3 16232 B15R0.2002 CCCCCCCCCCC(C)OCCC 34a_100011215000_100000210303 [0,2,0,0,0,0|1,0,1]=4 16233 B15R0.2002 CCCCCCCCCCC(C)OCCC 7a_100011215000_100000210303 [0,2,0,0,0,0|1,0,1]=4 16234 B15R0.2002 CCCCCCCCCCC(C)OCCF 34a_100011215000_100011217306 [0,2,0,0,0,0|1,0,1]=4 16235 B15R0.2002 CCCCCCCCCCC(C)OCCF 7a_100011215000_100011217306 [0,2,0,0,0,0|1,0,1]=4 16236 B15R0.2002 CCCCCCCCCCC(C)OCCO 34a_100011215000_100000211926 [0,2,0,0,0,0|1,0,1]=4 16237 B15R0.2002 CCCCCCCCCCC(C)OCCO 7a_100011215000_100000211926 [0,2,0,0,0,0|1,0,1]=4 16238 B15R0.2002 CCCCCCCCCCC(C)OCSC 34a_100011215000_100011218213 [0,2,0,0,0,0|1,0,1]=4 16239 B15R0.2002 CCCCCCCCCCN(C)COCC 269982a_100000207566_100000739092 [0,2,0,0,0,0|2,0,0]=4 16240 B15R0.2002 CCCCCCCCCNC(=O)C=COC 1626a_100000212291_100016268678 [0,2,0,0,0,0|1,0,1]=4 16241 B15R0.2002 CCCCCCCCCNC(=O)C=COC 240690a_100000212291_100016268678 [0,2,0,0,0,0|1,0,1]=4 16242 B15R0.2002 CCCCCCCCCNC(=O)CCC#N 11a_100000212291_100011934036 [0,2,0,0,0,0|1,0,1]=4 16243 B15R0.2002 CCCCCCCCCNC(=O)CCC#N 1626a_100000212291_100011934036 [0,2,0,0,0,0|1,0,1]=4 16244 B15R0.2002 CCCCCCCCCNC(=O)CCC#N 240690a_100000212291_100011934036 [0,2,0,0,0,0|1,0,1]=4 16245 B15R0.2002 CCCCCCCCCNC(=O)CCC#N 527a_100000212291_100011934036 [0,2,0,0,0,0|1,0,1]=4 16246 B15R0.2002 CCCCCCCCCNC(=O)CCCC 11a_100000212291_100000210183 [0,2,0,0,0,0|1,0,0]=3 16247 B15R0.2002 CCCCCCCCCNC(=O)CCCC 1626a_100000212291_100000210183 [0,2,0,0,0,0|1,0,0]=3 16248 B15R0.2002 CCCCCCCCCNC(=O)CCCC 240690a_100000212291_100000210183 [0,2,0,0,0,0|1,0,0]=3 16249 B15R0.2002 CCCCCCCCCNC(=O)CCCC 527a_100000212291_100000210183 [0,2,0,0,0,0|1,0,0]=3 16250 B15R0.2002 CCCCCCCCCNC(=O)CCOC 11a_100000212291_100000749529 [0,2,0,0,0,0|1,0,0]=3 16251 B15R0.2002 CCCCCCCCCNC(=O)CCOC 1626a_100000212291_100000749529 [0,2,0,0,0,0|1,0,0]=3 16252 B15R0.2002 CCCCCCCCCNC(=O)CCOC 240690a_100000212291_100000749529 [0,2,0,0,0,0|1,0,0]=3 16253 B15R0.2002 CCCCCCCCCNC(=O)CCOC 527a_100000212291_100000749529 [0,2,0,0,0,0|1,0,0]=3 16254 B15R0.2002 CCCCCCCCCNC(=O)CCSC 11a_100000212291_100000174002 [0,2,0,0,0,0|1,0,0]=3 16255 B15R0.2002 CCCCCCCCCNC(=O)CCSC 1626a_100000212291_100000174002 [0,2,0,0,0,0|1,0,0]=3 16256 B15R0.2002 CCCCCCCCCNC(=O)CCSC 240690a_100000212291_100000174002 [0,2,0,0,0,0|1,0,0]=3 16257 B15R0.2002 CCCCCCCCCNC(=O)CCSC 527a_100000212291_100000174002 [0,2,0,0,0,0|1,0,0]=3 16258 B15R0.2002 CCCCCCCCCNC(=O)COCC 11a_100000212291_100000211967 [0,2,0,0,0,0|0,0,0]=2 16259 B15R0.2002 CCCCCCCCCNC(=O)COCC 1626a_100000212291_100000211967 [0,2,0,0,0,0|0,0,0]=2 16260 B15R0.2002 CCCCCCCCCNC(=O)COCC 240690a_100000212291_100000211967 [0,2,0,0,0,0|0,0,0]=2 16261 B15R0.2002 CCCCCCCCCNC(=O)COCC 527a_100000212291_100000211967 [0,2,0,0,0,0|0,0,0]=2 16262 B15R0.2002 CCCCCCCCCNC(=O)CSCC 11a_100000212291_100000230394 [0,2,0,0,0,0|0,1,0]=3 16263 B15R0.2002 CCCCCCCCCNC(=O)CSCC 1626a_100000212291_100000230394 [0,2,0,0,0,0|0,1,0]=3 16264 B15R0.2002 CCCCCCCCCNC(=O)CSCC 240690a_100000212291_100000230394 [0,2,0,0,0,0|0,1,0]=3 16265 B15R0.2002 CCCCCCCCCNC(=O)CSCC 527a_100000212291_100000230394 [0,2,0,0,0,0|0,1,0]=3 16266 B15R0.2002 CCCCCCCCCNC(=O)NCC#N 2708a_100000734998_100000212291 [0,2,0,0,0,0|1,0,1]=4 16267 B15R0.2002 CCCCCCCCCNC(=O)NCC#N 273464a_100000212291_100000734998 [0,2,0,0,0,0|1,0,1]=4 16268 B15R0.2002 CCCCCCCCCNC(=O)NCC#N 273464a_100000734998_100000212291 [0,2,0,0,0,0|1,0,1]=4 16269 B15R0.2002 CCCCCCCCCNC(=O)NCC#N 512a_100000212291_100000734998 [0,2,0,0,0,0|1,0,1]=4 16270 B15R0.2002 CCCCCCCCCNC(=O)NCC#N 512a_100000734998_100000212291 [0,2,0,0,0,0|1,0,1]=4 16271 B15R0.2002 CCCCCCCCCNC(=O)NCCC 2708a_100000212291_100020643023 [0,2,0,0,0,0|1,0,0]=3 16272 B15R0.2002 CCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000212291 [0,2,0,0,0,0|1,0,0]=3 16273 B15R0.2002 CCCCCCCCCNC(=O)NCCC 273464a_100000212291_100020643023 [0,2,0,0,0,0|1,0,0]=3 16274 B15R0.2002 CCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000212291 [0,2,0,0,0,0|1,0,0]=3 16275 B15R0.2002 CCCCCCCCCNC(=O)NCCC 512a_100000212291_100020643023 [0,2,0,0,0,0|1,0,0]=3 16276 B15R0.2002 CCCCCCCCCNC(=O)NCCC 512a_100020643023_100000212291 [0,2,0,0,0,0|1,0,0]=3 16277 B15R0.2002 CCCCCCCCCNC(=O)NCCF 2708a_100000212291_100000724931 [0,2,0,0,0,0|1,0,0]=3 16278 B15R0.2002 CCCCCCCCCNC(=O)NCCF 273464a_100000212291_100000724931 [0,2,0,0,0,0|1,0,0]=3 16279 B15R0.2002 CCCCCCCCCNC(=O)NCCF 273464a_100000724931_100000212291 [0,2,0,0,0,0|1,0,0]=3 16280 B15R0.2002 CCCCCCCCCNC(=O)NCCF 512a_100000212291_100000724931 [0,2,0,0,0,0|1,0,0]=3 16281 B15R0.2002 CCCCCCCCCNC(=O)NCCO 2708a_100000212291_100000210304 [0,2,0,0,0,0|1,0,0]=3 16282 B15R0.2002 CCCCCCCCCNC(=O)NCCO 273464a_100000210304_100000212291 [0,2,0,0,0,0|1,0,0]=3 16283 B15R0.2002 CCCCCCCCCNC(=O)NCCO 273464a_100000212291_100000210304 [0,2,0,0,0,0|1,0,0]=3 16284 B15R0.2002 CCCCCCCCCNC(=O)NCCO 512a_100000212291_100000210304 [0,2,0,0,0,0|1,0,0]=3 16285 B15R0.2002 CCCCCCCCCNC(=O)NNCC 273464a_100000212291_100000756455 [0,2,0,0,0,0|1,0,0]=3 16286 B15R0.2002 CCCCCCCCCNC(=O)NNCC 512a_100000212291_100000756455 [0,2,0,0,0,0|1,0,0]=3 16287 B15R0.2002 CCCCCCCCCNC(=O)NNCC 512a_100000756455_100000212291 [0,2,0,0,0,0|1,0,0]=3 16288 B15R0.2002 CCCCCCCCCOC(C)COCC 34a_100000718985_100011214924 [0,2,0,0,0,0|1,0,1]=4 16289 B15R0.2002 CCCCCCCCCOC(C)COCC 7a_100000718985_100000210328 [0,2,0,0,0,0|1,0,1]=4 16290 B15R0.2002 CCCCCCCCNCC(=O)NCC#N 2230a_100000229939_100000736037 [0,2,0,0,0,0|1,0,1]=4 16291 B15R0.2002 CCCCCCCCNCC(=O)NCCC 2230a_100000174927_100000210759 [0,2,0,0,0,0|1,0,0]=3 16292 B15R0.2002 CCCCCCCCNCC(=O)NCCC 2230a_100000229939_100000183358 [0,2,0,0,0,0|1,0,0]=3 16293 B15R0.2002 CCCCCCCCNCC(=O)NCCC 34a_100000229939_100000183358 [0,2,0,0,0,0|1,0,0]=3 16294 B15R0.2002 CCCCCCCCNCC(=O)NCCF 2230a_100000725713_100000210759 [0,2,0,0,0,0|1,0,0]=3 16295 B15R0.2002 CCCCCCCCNCC(=O)OCCC 2230a_100000229939_200011215008 [0,2,0,0,0,0|0,0,0]=2 16296 B15R0.2002 CCCCCCCCNCC(=O)OCCC 34a_100000229939_200011215008 [0,2,0,0,0,0|0,0,0]=2 16297 B15R0.2002 CCCCCCCCNCC(C)OCCC 2230a_100015185124_100000210759 [0,2,0,0,0,0|1,0,1]=4 16298 B15R0.2002 CCCCCCCCNCC(C)OCCC 34a_100015185124_100000210759 [0,2,0,0,0,0|1,0,1]=4 16299 B15R0.2002 CCCCCCCCNCC(O)COCC 2230a_102515437182_100000210759 [0,2,0,0,0,0|0,0,2]=4 16300 B15R0.2002 CCCCCCCCNCC(O)COCC 34a_102515437182_100000210759 [0,2,0,0,0,0|0,0,2]=4 16301 B15R0.2002 CCCCCCCCOCC(=O)CCC#N 1458a_100000759886_100011215226 [0,2,0,0,0,0|1,0,1]=4 16302 B15R0.2002 CCCCCCCCOCC(=O)CCCC 1458a_100000759886_100000210211 [0,2,0,0,0,0|1,0,0]=3 16303 B15R0.2002 CCCCCCCCOCC(=O)CCCF 1458a_100000759886_100011934791 [0,2,0,0,0,0|1,0,0]=3 16304 B15R0.2002 CCCCCCCCOCC(=O)CCCO 1458a_100000759886_100011215043 [0,2,0,0,0,0|1,0,0]=3 16305 B15R0.2002 CCCCCCCCOCC(=O)CCOC 1458a_100000759886_100000233755 [0,2,0,0,0,0|1,0,0]=3 16306 B15R0.2002 CCCCCCCCOCC(=O)CCSC 1458a_100000759886_100000751147 [0,2,0,0,0,0|1,0,0]=3 16307 B15R0.2002 CCCCCCCCOCC(=O)NCC#N 1626a_100000734998_100000759886 [0,2,0,0,0,0|1,0,1]=4 16308 B15R0.2002 CCCCCCCCOCC(=O)NCC#N 527a_100000734998_100000759886 [0,2,0,0,0,0|1,0,1]=4 16309 B15R0.2002 CCCCCCCCOCC(=O)NCC#N 7a_100000210232_100000736037 [0,2,0,0,0,0|1,0,1]=4 16310 B15R0.2002 CCCCCCCCOCC(=O)NCCC 11a_100020643023_100000759886 [0,2,0,0,0,0|1,0,0]=3 16311 B15R0.2002 CCCCCCCCOCC(=O)NCCC 1626a_100020643023_100000759886 [0,2,0,0,0,0|1,0,0]=3 16312 B15R0.2002 CCCCCCCCOCC(=O)NCCC 240690a_100020643023_100000759886 [0,2,0,0,0,0|1,0,0]=3 16313 B15R0.2002 CCCCCCCCOCC(=O)NCCC 34a_100000210232_100000183358 [0,2,0,0,0,0|1,0,0]=3 16314 B15R0.2002 CCCCCCCCOCC(=O)NCCC 527a_100020643023_100000759886 [0,2,0,0,0,0|1,0,0]=3 16315 B15R0.2002 CCCCCCCCOCC(=O)NCCC 7a_100000210232_100000183358 [0,2,0,0,0,0|1,0,0]=3 16316 B15R0.2002 CCCCCCCCOCC(=O)NCCF 11a_100000724931_100000759886 [0,2,0,0,0,0|1,0,0]=3 16317 B15R0.2002 CCCCCCCCOCC(=O)NCCF 1626a_100000724931_100000759886 [0,2,0,0,0,0|1,0,0]=3 16318 B15R0.2002 CCCCCCCCOCC(=O)NCCF 240690a_100000724931_100000759886 [0,2,0,0,0,0|1,0,0]=3 16319 B15R0.2002 CCCCCCCCOCC(=O)NCCF 527a_100000724931_100000759886 [0,2,0,0,0,0|1,0,0]=3 16320 B15R0.2002 CCCCCCCCOCC(=O)NCCO 240690a_100000210304_100000759886 [0,2,0,0,0,0|1,0,0]=3 16321 B15R0.2002 CCCCCCCCOCC(=O)NCCO 527a_100000210304_100000759886 [0,2,0,0,0,0|1,0,0]=3 16322 B15R0.2002 CCCCCCCCOCC(=O)NNCC 22a_100000756455_100000759886 [0,2,0,0,0,0|1,0,0]=3 16323 B15R0.2002 CCCCCCCCOCC(=O)OCCC 34a_100000210232_200011215008 [0,2,0,0,0,0|0,0,0]=2 16324 B15R0.2002 CCCCCCCCOCC(=O)OCCC 7a_100000210232_200011215008 [0,2,0,0,0,0|0,0,0]=2 16325 B15R0.2002 CCCCCCCCOC[C@@H](C)OCOC 34a_100016172286_100000210759 [0,2,0,0,0,0|1,0,1]=4 16326 B15R0.2002 CCCCCCCCOC[C@@H](C)OCOC 7a_100016172286_100000210759 [0,2,0,0,0,0|1,0,1]=4 16327 B15R0.2002 CCCCCCCCSCC(=O)NCC#N 62a_100000210759_100000736037 [0,2,0,0,0,0|1,0,1]=4 16328 B15R0.2002 CCCCCCCCSCC(=O)NCC#N 62a_100000736037_100000210317 [0,2,0,0,0,0|1,0,1]=4 16329 B15R0.2002 CCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210317 [0,2,0,0,0,0|1,0,0]=3 16330 B15R0.2002 CCCCCCCCSCC(=O)NCCC 62a_100000210759_100000183358 [0,2,0,0,0,0|1,0,0]=3 16331 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_100000210759_200011215008 [0,2,0,0,0,0|0,0,0]=2 16332 B15R0.2002 CCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210317 [0,2,0,0,0,0|0,0,0]=2 16333 B15R0.2002 CCCCCCCOCOC(=O)OCCC 34a_100000210272_200000139673 [0,2,0,0,0,0|1,0,0]=3 16334 B15R0.2002 CCCCCCCOCOC(=O)OCCC 7a_100000210272_200000139673 [0,2,0,0,0,0|1,0,0]=3 16335 B15R0.2002 CCCCCCCSCOC(=O)OCCC 62a_100000210614_200000139673 [0,2,0,0,0,0|1,0,0]=3 16336 B15R0.2002 CCCCCCNCCCC(=O)NCCC 2230a_100000210581_100011194427 [0,2,0,0,0,0|1,0,0]=3 16337 B15R0.2002 CCCCCCOCCCC(=O)NCCC 7a_100000210259_100011194427 [0,2,0,0,0,0|1,0,0]=3 16338 B15R0.2002 CCCCCCSCCCC(=O)NCCC 62a_100000210314_100011194427 [0,2,0,0,0,0|1,0,0]=3 16339 B15R0.2002 CCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210757 [0,2,0,0,0,0|1,0,0]=3 16340 B15R0.2002 CCCCCNCCOCC(=O)NCCC 34a_100000224656_100000183358 [0,2,0,0,0,0|2,0,0]=4 16341 B15R0.2002 CCCCCNCCOCC(=O)OCCC 34a_100000224656_200011215008 [0,2,0,0,0,0|1,0,0]=3 16342 B15R0.2002 CCCCCOCCOCC(=O)NCCC 34a_100011215259_100000183358 [0,2,0,0,0,0|2,0,0]=4 16343 B15R0.2002 CCCCCOCCOCC(=O)NCCC 7a_100011215259_100000183358 [0,2,0,0,0,0|2,0,0]=4 16344 B15R0.2002 CCCCCOCCOCC(=O)OCCC 34a_100011215259_200011215008 [0,2,0,0,0,0|1,0,0]=3 16345 B15R0.2002 CCCCCOCCOCC(=O)OCCC 7a_100011215259_200011215008 [0,2,0,0,0,0|1,0,0]=3 16346 B15R0.2002 CCCCOCCCNCC(=O)NCCC 2230a_200000211371_100000183358 [0,2,0,0,0,0|2,0,0]=4 16347 B15R0.2002 CCCCOCCCNCC(=O)NCCC 34a_200000211371_100000183358 [0,2,0,0,0,0|2,0,0]=4 16348 B15R0.2002 CCCCOCCCNCC(=O)OCCC 2230a_200000211371_200011215008 [0,2,0,0,0,0|1,0,0]=3 16349 B15R0.2002 CCCCOCCCNCC(=O)OCCC 34a_200000211371_200011215008 [0,2,0,0,0,0|1,0,0]=3 16350 B15R0.2002 CCCCOCCCOCC(=O)NCCC 34a_200011215613_100000183358 [0,2,0,0,0,0|2,0,0]=4 16351 B15R0.2002 CCCCOCCCOCC(=O)NCCC 7a_200011215613_100000183358 [0,2,0,0,0,0|2,0,0]=4 16352 B15R0.2002 CCCCOCCCOCC(=O)OCCC 34a_200011215613_200011215008 [0,2,0,0,0,0|1,0,0]=3 16353 B15R0.2002 CCCCOCCCOCC(=O)OCCC 7a_200011215613_200011215008 [0,2,0,0,0,0|1,0,0]=3 16354 B15R0.2002 CCCCOCCOCOC(=O)OCCC 34a_100000210238_200000139673 [0,2,0,0,0,0|2,0,0]=4 16355 B15R0.2002 CCCCOCCOCOC(=O)OCCC 7a_100000210238_200000139673 [0,2,0,0,0,0|2,0,0]=4 16356 B15R0.2002 CCCCOCCSCOC(=O)OCCC 62a_100000743108_200000139673 [0,2,0,0,0,0|2,0,0]=4 16357 B15R0.2002 CCCCOCSCCCC(=O)NCCC 62a_100011194427_100011995733 [0,2,0,0,0,0|2,0,0]=4 16358 B15R0.2002 CCCCOCSCCCC(=O)NCCC 62a_100011995733_100011194427 [0,2,0,0,0,0|2,0,0]=4 16359 B15R0.2002 CCCCSCCOCOC(=O)OCCC 34a_200000230436_200000139673 [0,2,0,0,0,0|2,0,0]=4 16360 B15R0.2002 CCCCSCCOCOC(=O)OCCC 7a_200000230436_200000139673 [0,2,0,0,0,0|2,0,0]=4 16361 B15R0.2002 CCCNC(=O)CCCCCCCCCF 11a_100020643023_200009909015 [0,2,0,0,0,0|1,0,0]=3 16362 B15R0.2002 CCCNC(=O)CCCCCCCCCF 240690a_100020643023_200009909015 [0,2,0,0,0,0|1,0,0]=3 16363 B15R0.2002 CCCNC(=O)CCCCCCCCCF 527a_100020643023_200009909015 [0,2,0,0,0,0|1,0,0]=3 16364 B15R0.2002 CCCNC(=O)CCCCCCCCCO 240690a_100020643023_100000032657 [0,2,0,0,0,0|1,0,0]=3 16365 B15R0.2002 CCCNC(=O)CCCNCCCCCO 2230a_100000762737_100011194427 [0,2,0,0,0,0|2,0,0]=4 16366 B15R0.2002 CCCNC(=O)CCCNCCCOCC 2230a_100000210961_100011194427 [0,2,0,0,0,0|2,0,0]=4 16367 B15R0.2002 CCCNC(=O)CCCNCCOCCC 2230a_100161115042_100011194427 [0,2,0,0,0,0|2,0,0]=4 16368 B15R0.2002 CCCNC(=O)CCCNCCSCCC 2230a_100020603323_100011194427 [0,2,0,0,0,0|2,0,0]=4 16369 B15R0.2002 CCCNC(=O)CCCOCCCCCBr 7a_100000746331_100011194427 [0,2,0,0,0,0|2,0,0]=4 16370 B15R0.2002 CCCNC(=O)CCCOCCCCCCl 7a_100000746330_100011194427 [0,2,0,0,0,0|2,0,0]=4 16371 B15R0.2002 CCCNC(=O)CCCOCCCCCI 7a_200012148887_100011194427 [0,2,0,0,0,0|2,0,0]=4 16372 B15R0.2002 CCCNC(=O)CCCOCCCCSC 7a_100011217163_100011194427 [0,2,0,0,0,0|2,0,0]=4 16373 B15R0.2002 CCCNC(=O)CCCOCCCOCC 7a_100000757476_100011194427 [0,2,0,0,0,0|2,0,0]=4 16374 B15R0.2002 CCCNC(=O)CCCOCCCSCC 7a_100011216438_100011194427 [0,2,0,0,0,0|2,0,0]=4 16375 B15R0.2002 CCCNC(=O)CCCOCCOCCC 7a_100000752267_100011194427 [0,2,0,0,0,0|2,0,0]=4 16376 B15R0.2002 CCCNC(=O)CCCOCCSCCC 7a_200000230433_100011194427 [0,2,0,0,0,0|2,0,0]=4 16377 B15R0.2002 CCCNC(=O)CCCSCCCCCF 62a_100000729378_100011194427 [0,2,0,0,0,0|2,0,0]=4 16378 B15R0.2002 CCCNC(=O)CCCSCCCCCF 62a_100011194427_100000729378 [0,2,0,0,0,0|2,0,0]=4 16379 B15R0.2002 CCCNC(=O)CCCSCCCCCO 62a_100000746330_100011194427 [0,2,0,0,0,0|2,0,0]=4 16380 B15R0.2002 CCCNC(=O)CCCSCCCCCO 62a_100011194427_100000746330 [0,2,0,0,0,0|2,0,0]=4 16381 B15R0.2002 CCCNC(=O)CCCSCCCCOC 62a_100000730899_100011194427 [0,2,0,0,0,0|2,0,0]=4 16382 B15R0.2002 CCCNC(=O)CCCSCCCCOC 62a_100011194427_100000730899 [0,2,0,0,0,0|2,0,0]=4 16383 B15R0.2002 CCCNC(=O)CCCSCCCOCC 62a_100011194427_100012232248 [0,2,0,0,0,0|2,0,0]=4 16384 B15R0.2002 CCCNC(=O)CCCSCCCOCC 62a_100012232248_100011194427 [0,2,0,0,0,0|2,0,0]=4 16385 B15R0.2002 CCCNC(=O)CCCSCCOCCC 62a_100011194427_100011215938 [0,2,0,0,0,0|2,0,0]=4 16386 B15R0.2002 CCCNC(=O)CCCSCCOCCC 62a_100011215938_100011194427 [0,2,0,0,0,0|2,0,0]=4 16387 B15R0.2002 CCCNC(=O)CNCCCCCCCO 2230a_100000174927_100000760002 [0,2,0,0,0,0|2,0,0]=4 16388 B15R0.2002 CCCNC(=O)CNCCCCCCCO 2230a_100011996573_100000183358 [0,2,0,0,0,0|2,0,0]=4 16389 B15R0.2002 CCCNC(=O)CNCCCCCCCO 34a_100011996573_100000183358 [0,2,0,0,0,0|2,0,0]=4 16390 B15R0.2002 CCCNC(=O)CNCCCCCCOC 2230a_100000174927_100011998445 [0,2,0,0,0,0|2,0,0]=4 16391 B15R0.2002 CCCNC(=O)COCCCCCCCBr 34a_100000760002_100000183358 [0,2,0,0,0,0|2,0,0]=4 16392 B15R0.2002 CCCNC(=O)COCCCCCCCBr 7a_100000760002_100000183358 [0,2,0,0,0,0|2,0,0]=4 16393 B15R0.2002 CCCNC(=O)COCCCCCCCN 34a_100011996573_100000183358 [0,2,0,0,0,0|2,0,0]=4 16394 B15R0.2002 CCCNC(=O)COCCCCCCOC 34a_200012092642_100000183358 [0,2,0,0,0,0|2,0,0]=4 16395 B15R0.2002 CCCNC(=O)COCCCCCCOC 7a_200012092642_100000183358 [0,2,0,0,0,0|2,0,0]=4 16396 B15R0.2002 CCCNC(=O)CSCCCCCCCO 62a_100000183358_100000760002 [0,2,0,0,0,0|2,0,0]=4 16397 B15R0.2002 CCCNC(=O)CSCCCCCCCO 62a_100000760002_100000183358 [0,2,0,0,0,0|2,0,0]=4 16398 B15R0.2002 CCCNC(=O)CSCCCCCCOC 62a_100000183358_100011998445 [0,2,0,0,0,0|2,0,0]=4 16399 B15R0.2002 CCCNC(=O)CSCCCCCCOC 62a_100011998445_100000183358 [0,2,0,0,0,0|2,0,0]=4 16400 B15R0.2002 CCCNC(=O)NCCCCCCCCO 2708a_100020643023_102515433106 [0,2,0,0,0,0|2,0,0]=4 16401 B15R0.2002 CCCNC(=O)NCCCCCCCCO 2708a_102515433106_100020643023 [0,2,0,0,0,0|2,0,0]=4 16402 B15R0.2002 CCCNC(=O)NCCCCCCCCO 273464a_100020643023_102515433106 [0,2,0,0,0,0|2,0,0]=4 16403 B15R0.2002 CCCNC(=O)NCCCCCCCCO 273464a_102515433106_100020643023 [0,2,0,0,0,0|2,0,0]=4 16404 B15R0.2002 CCCNC(=O)NCCCCCCCCO 512a_100020643023_102515433106 [0,2,0,0,0,0|2,0,0]=4 16405 B15R0.2002 CCCNC(=O)NCCCCCCCCO 512a_102515433106_100020643023 [0,2,0,0,0,0|2,0,0]=4 16406 B15R0.2002 CCCOC(=O)CNCCCCCCCO 2230a_100011996573_200011215008 [0,2,0,0,0,0|1,0,0]=3 16407 B15R0.2002 CCCOC(=O)CNCCCCCCCO 34a_100011996573_200011215008 [0,2,0,0,0,0|1,0,0]=3 16408 B15R0.2002 CCCOC(=O)CNCCCOCCCO 2230a_100011310245_200011215008 [0,2,0,0,0,0|2,0,0]=4 16409 B15R0.2002 CCCOC(=O)CNCCCOCCCO 34a_100011310245_200011215008 [0,2,0,0,0,0|2,0,0]=4 16410 B15R0.2002 CCCOC(=O)CNCCCOCCOC 2230a_100000206027_200011215008 [0,2,0,0,0,0|2,0,0]=4 16411 B15R0.2002 CCCOC(=O)CNCCCOCCOC 34a_100000206027_200011215008 [0,2,0,0,0,0|2,0,0]=4 16412 B15R0.2002 CCCOC(=O)CNCCOCCOCC 2230a_100102712874_200011215008 [0,2,0,0,0,0|2,0,0]=4 16413 B15R0.2002 CCCOC(=O)CNCCOCCOCC 34a_100102712874_200011215008 [0,2,0,0,0,0|2,0,0]=4 16414 B15R0.2002 CCCOC(=O)COCCCCCCCBr 34a_100000760002_200011215008 [0,2,0,0,0,0|1,0,0]=3 16415 B15R0.2002 CCCOC(=O)COCCCCCCCBr 7a_100000760002_200011215008 [0,2,0,0,0,0|1,0,0]=3 16416 B15R0.2002 CCCOC(=O)COCCCCCCCN 34a_100011996573_200011215008 [0,2,0,0,0,0|1,0,0]=3 16417 B15R0.2002 CCCOC(=O)COCCCCCCOC 34a_200012092642_200011215008 [0,2,0,0,0,0|1,0,0]=3 16418 B15R0.2002 CCCOC(=O)COCCCCCCOC 7a_200012092642_200011215008 [0,2,0,0,0,0|1,0,0]=3 16419 B15R0.2002 CCCOC(=O)COCCCOCCCN 34a_100011310245_200011215008 [0,2,0,0,0,0|2,0,0]=4 16420 B15R0.2002 CCCOC(=O)COCCOCCOCC 34a_100000210240_200011215008 [0,2,0,0,0,0|2,0,0]=4 16421 B15R0.2002 CCCOC(=O)COCCOCCOCC 7a_100000210240_200011215008 [0,2,0,0,0,0|2,0,0]=4 16422 B15R0.2002 CCCOC(=O)CSCCCCCCC#N 62a_100009813337_200011215008 [0,2,0,0,0,0|1,0,1]=4 16423 B15R0.2002 CCCOC(=O)CSCCCCCCC#N 62a_200011215008_100009813337 [0,2,0,0,0,0|1,0,1]=4 16424 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_100000760002_200011215008 [0,2,0,0,0,0|1,0,0]=3 16425 B15R0.2002 CCCOC(=O)CSCCCCCCCO 62a_200011215008_100000760002 [0,2,0,0,0,0|1,0,0]=3 16426 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_100011998445_200011215008 [0,2,0,0,0,0|1,0,0]=3 16427 B15R0.2002 CCCOC(=O)CSCCCCCCOC 62a_200011215008_100011998445 [0,2,0,0,0,0|1,0,0]=3 16428 B15R0.2002 CCCOC(=O)CSCCCOCCOC 62a_100011216529_200011215008 [0,2,0,0,0,0|2,0,0]=4 16429 B15R0.2002 CCCOC(=O)CSCCCOCCOC 62a_200011215008_100011216529 [0,2,0,0,0,0|2,0,0]=4 16430 B15R0.2002 CCCOC(=O)CSCCOCCOCC 62a_100011211534_200011215008 [0,2,0,0,0,0|2,0,0]=4 16431 B15R0.2002 CCCOC(=O)CSCCOCCOCC 62a_200011215008_100011211534 [0,2,0,0,0,0|2,0,0]=4 16432 B15R0.2002 CCCOC(=O)OCNCCCCCCO 34a_100000686447_200000139673 [0,2,0,0,0,0|2,0,0]=4 16433 B15R0.2002 CCCOC(=O)OCNCCCCCOC 34a_100000747528_200000139673 [0,2,0,0,0,0|2,0,0]=4 16434 B15R0.2002 CCCOC(=O)OCOCCCCCCBr 34a_100011215345_200000139673 [0,2,0,0,0,0|2,0,0]=4 16435 B15R0.2002 CCCOC(=O)OCOCCCCCCBr 7a_100011215345_200000139673 [0,2,0,0,0,0|2,0,0]=4 16436 B15R0.2002 CCCOC(=O)OCOCCCCCCCl 34a_100000766143_200000139673 [0,2,0,0,0,0|2,0,0]=4 16437 B15R0.2002 CCCOC(=O)OCOCCCCCCCl 7a_100000766143_200000139673 [0,2,0,0,0,0|2,0,0]=4 16438 B15R0.2002 CCCOC(=O)OCOCCCCCCF 34a_100000732779_200000139673 [0,2,0,0,0,0|2,0,0]=4 16439 B15R0.2002 CCCOC(=O)OCOCCCCCCF 7a_100000732779_200000139673 [0,2,0,0,0,0|2,0,0]=4 16440 B15R0.2002 CCCOC(=O)OCOCCCCCCN 34a_100000686447_200000139673 [0,2,0,0,0,0|2,0,0]=4 16441 B15R0.2002 CCCOC(=O)OCOCCCCCNC 34a_100000722520_200000139673 [0,2,0,0,0,0|2,0,0]=4 16442 B15R0.2002 CCCOC(=O)OCSCCCCCCF 62a_100015922095_200000139673 [0,2,0,0,0,0|2,0,0]=4 16443 B15R0.2002 CCCOC(=O)OCSCCCCCCO 62a_100000766143_200000139673 [0,2,0,0,0,0|2,0,0]=4 16444 B15R0.2002 CCCOCCCNCOC(=O)OCCC 34a_100011217757_200000139673 [0,2,0,0,0,0|2,0,0]=4 16445 B15R0.2002 CCCOCCOCCNC(=O)COCC 11a_200011904461_100000211967 [0,2,0,0,0,0|2,0,0]=4 16446 B15R0.2002 CCCOCCOCCNC(=O)COCC 1626a_200011904461_100000211967 [0,2,0,0,0,0|2,0,0]=4 16447 B15R0.2002 CCCOCCOCCNC(=O)COCC 240690a_200011904461_100000211967 [0,2,0,0,0,0|2,0,0]=4 16448 B15R0.2002 CCNNC(=O)CCCCCCCCCF 22a_100000756455_200009909015 [0,2,0,0,0,0|1,0,0]=3 16449 B15R0.2002 CCNNC(=O)CCCCCCCCCO 22a_100000756455_100000032657 [0,2,0,0,0,0|1,0,0]=3 16450 B15R0.2002 CCNNC(=O)NCCCCCCCCO 273464a_102515433106_100000756455 [0,2,0,0,0,0|2,0,0]=4 16451 B15R0.2002 CCNNC(=O)NCCCCCCCCO 512a_100000756455_102515433106 [0,2,0,0,0,0|2,0,0]=4 16452 B15R0.2002 CCNNC(=O)NCCCCCCCCO 512a_102515433106_100000756455 [0,2,0,0,0,0|2,0,0]=4 16453 B15R0.2002 CCOCC(=O)CCCCCCCCCO 1458a_100000211967_100009813782 [0,2,0,0,0,0|0,0,0]=2 16454 B15R0.2002 CCOCC(=O)CCOCCOCCOC 1458a_100000211967_100013367474 [0,2,0,0,0,0|2,0,0]=4 16455 B15R0.2002 CCOCC(=O)NCCCCCCCCO 240690a_102515433106_100000211967 [0,2,0,0,0,0|1,0,0]=3 16456 B15R0.2002 CCSCC(=O)CCCCCCCCCO 1458a_100000230394_100009813782 [0,2,0,0,0,0|0,1,0]=3 16457 B15R0.2002 CCSCC(=O)NCCCCCCCCO 240690a_102515433106_100000230394 [0,2,0,0,0,0|1,1,0]=4 16458 B15R0.2002 COC=CC(=O)CCCCCCCCCO 1458a_100016268678_100009813782 [0,2,0,0,0,0|1,0,1]=4 16459 B15R0.2002 COCCC(=O)CCCCCCCCCF 1458a_200009909015_100000233755 [0,2,0,0,0,0|1,0,0]=3 16460 B15R0.2002 COCCC(=O)CCCCCCCCCO 1458a_100000749529_100009813782 [0,2,0,0,0,0|1,0,0]=3 16461 B15R0.2002 COCCC(=O)NCCCCCCCCO 240690a_102515433106_100000749529 [0,2,0,0,0,0|2,0,0]=4 16462 B15R0.2002 COCCCCCCNCC(=O)NCCF 2230a_100000725713_100011998445 [0,2,0,0,0,0|2,0,0]=4 16463 B15R0.2002 CSCCC(=O)CCCCCCCCCF 1458a_200009909015_100000751147 [0,2,0,0,0,0|1,0,0]=3 16464 B15R0.2002 CSCCC(=O)CCCCCCCCCO 1458a_100000174002_100009813782 [0,2,0,0,0,0|1,0,0]=3 16465 B15R0.2002 CSCCC(=O)NCCCCCCCCO 240690a_102515433106_100000174002 [0,2,0,0,0,0|2,0,0]=4 16466 B15R0.2002 N#CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011215226 [0,2,0,0,0,0|1,0,1]=4 16467 B15R0.2002 N#CCCC(=O)CCCCCCCCCO 1458a_100011934036_100009813782 [0,2,0,0,0,0|1,0,1]=4 16468 B15R0.2002 N#CCNC(=O)CCCCCCCCCF 527a_100000734998_200009909015 [0,2,0,0,0,0|1,0,1]=4 16469 B15R0.2002 O=C(C#CCO)CCCCCCCCCO 1458a_100000049017_100009813782 [0,2,0,0,0,0|1,0,1]=4 16470 B15R0.2002 O=C(CCCCCCCCCF)NCCF 11a_100000724931_200009909015 [0,2,0,0,0,0|1,0,0]=3 16471 B15R0.2002 O=C(CCCCCCCCCF)NCCF 240690a_100000724931_200009909015 [0,2,0,0,0,0|1,0,0]=3 16472 B15R0.2002 O=C(CCCCCCCCCF)NCCF 527a_100000724931_200009909015 [0,2,0,0,0,0|1,0,0]=3 16473 B15R0.2002 O=C(CCCCCCCCCF)NCCO 240690a_100000210304_200009909015 [0,2,0,0,0,0|1,0,0]=3 16474 B15R0.2002 O=C(CCCCCCCCCF)NCCO 527a_100000210304_200009909015 [0,2,0,0,0,0|1,0,0]=3 16475 B15R0.2002 O=C(CCCCCCCCCO)NCCF 240690a_100000724931_100000032657 [0,2,0,0,0,0|1,0,0]=3 16476 B15R0.2002 O=C(CCCCCCCCCO)NCCO 240690a_100000210304_100000032657 [0,2,0,0,0,0|1,0,0]=3 16477 B15R0.2002 O=C(CCCF)CCCCCCCCCF 1458a_200009909015_100011934791 [0,2,0,0,0,0|1,0,0]=3 16478 B15R0.2002 O=C(CCCO)CCCCCCCCCF 1458a_200009909015_100011215043 [0,2,0,0,0,0|1,0,0]=3 16479 B15R0.2002 O=C(CNCCCCCCCO)NCCF 2230a_100000725713_100000760002 [0,2,0,0,0,0|2,0,0]=4 16480 B15R0.2002 O=C(NCCF)NCCCCCCCCO 2708a_102515433106_100000724931 [0,2,0,0,0,0|2,0,0]=4 16481 B15R0.2002 O=C(NCCF)NCCCCCCCCO 273464a_100000724931_102515433106 [0,2,0,0,0,0|2,0,0]=4 16482 B15R0.2002 O=C(NCCF)NCCCCCCCCO 273464a_102515433106_100000724931 [0,2,0,0,0,0|2,0,0]=4 16483 B15R0.2002 O=C(NCCF)NCCCCCCCCO 512a_102515433106_100000724931 [0,2,0,0,0,0|2,0,0]=4 16484 B15R0.2002 O=C(NCCO)NCCCCCCCCO 2708a_102515433106_100000210304 [0,2,0,0,0,0|2,0,0]=4 16485 B15R0.2002 O=C(NCCO)NCCCCCCCCO 273464a_100000210304_102515433106 [0,2,0,0,0,0|2,0,0]=4 16486 B15R0.2002 O=C(NCCO)NCCCCCCCCO 273464a_102515433106_100000210304 [0,2,0,0,0,0|2,0,0]=4 16487 B15R0.2002 O=C(NCCO)NCCCCCCCCO 512a_102515433106_100000210304 [0,2,0,0,0,0|2,0,0]=4 16488 B15R0.110 CCCC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000211992 [0,2,0,0,0,0|2,0,0]=4 16489 B15R0.110 CCCC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100000211992 [0,2,0,0,0,0|2,0,0]=4 16490 B15R0.110 CCCC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100000211992 [0,2,0,0,0,0|2,0,0]=4 16491 B15R0.110 CCNC(=O)CCCC(=O)CCCC(C)C 1458a_100000199580_100011214892 [0,2,0,0,0,0|1,0,1]=4 16492 B15R0.110 CCNC(=O)CCCC(=O)CCCC(C)O 1458a_100000199580_200000718107 [0,2,0,0,0,0|1,0,1]=4 16493 B15R0.110 CCNC(=O)CCNC(C)CCCC(C)C 2230a_100000210607_100000737597 [0,2,0,0,0,0|2,0,0]=4 16494 B15R0.110 CCNC(=O)CCNC(C)CCCC(C)C 270004a_100025743525_100000753411 [0,2,0,0,0,0|2,0,0]=4 16495 B15R0.110 CCNC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000737597 [0,2,0,0,0,0|2,0,0]=4 16496 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 2708a_100015525214_102516457229 [0,2,0,0,0,0|2,0,0]=4 16497 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 2708a_102516457229_100015525214 [0,2,0,0,0,0|2,0,0]=4 16498 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 273464a_100015525214_102516457229 [0,2,0,0,0,0|2,0,0]=4 16499 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 273464a_102516457229_100015525214 [0,2,0,0,0,0|2,0,0]=4 16500 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 512a_100015525214_102516457229 [0,2,0,0,0,0|2,0,0]=4 16501 B15R0.110 CCNC(=O)NCCC(C)CCCC(C)C 512a_102516457229_100015525214 [0,2,0,0,0,0|2,0,0]=4 16502 B15R0.110 CCOC(=O)CCCC(=O)CCCC(=O)C 1458a_100000210991_100011215641 [0,2,0,0,0,0|0,0,2]=4 16503 B15R0.110 CCOC(=O)CCCC(=O)CCCC(C)C 1458a_100000210991_100011214892 [0,2,0,0,0,0|0,0,1]=3 16504 B15R0.110 CCOC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215271 [0,2,0,0,0,0|0,0,1]=3 16505 B15R0.110 CCOC(=O)CCCC(=O)CCCC(C)O 1458a_100000210991_200000718107 [0,2,0,0,0,0|0,0,1]=3 16506 B15R0.110 CCOC(=O)CCCC(=O)CCCN(C)C 1458a_100000210991_100000695564 [0,2,0,0,0,0|1,0,1]=4 16507 B15R0.110 CCOC(=O)CCCC(=O)CCOC(C)C 1458a_100000210991_100000211751 [0,2,0,0,0,0|1,0,1]=4 16508 B15R0.110 CCOC(=O)CCCC(=O)CCSC(C)C 1458a_100000210991_100000730970 [0,2,0,0,0,0|1,0,1]=4 16509 B15R0.110 CCOC(=O)CCCC(=O)COCC(C)C 1458a_100011223364_100011215271 [0,2,0,0,0,0|1,0,1]=4 16510 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)C 11a_100000210545_100000210991 [0,2,0,0,0,0|1,0,1]=4 16511 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)C 1626a_100000210545_100000210991 [0,2,0,0,0,0|1,0,1]=4 16512 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)C 240690a_100000210545_100000210991 [0,2,0,0,0,0|1,0,1]=4 16513 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)C 527a_100000210545_100000210991 [0,2,0,0,0,0|1,0,1]=4 16514 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)O 240690a_200000755665_100000210991 [0,2,0,0,0,0|1,0,1]=4 16515 B15R0.110 CCOC(=O)CCCC(=O)NCCC(C)O 527a_200000755665_100000210991 [0,2,0,0,0,0|1,0,1]=4 16516 B15R0.110 CCOC(=O)CCCN(C)CCCN(C)C 269982a_100000225831_100009991533 [0,2,0,0,0,0|2,0,0]=4 16517 B15R0.110 CCOC(=O)CCNC(=O)CCCC(C)C 188690a_100000746078_100011216857 [0,2,0,0,0,0|1,0,1]=4 16518 B15R0.110 CCOC(=O)CCNC(=O)CCCC(C)O 188690a_100000746078_100000761597 [0,2,0,0,0,0|1,0,1]=4 16519 B15R0.110 CCOC(=O)CCNC(C)CCCC(C)C 2230a_100000210607_100011206558 [0,2,0,0,0,0|1,0,0]=3 16520 B15R0.110 CCOC(=O)CCOC(C)CCCC(C)C 34a_200011218570_100000765890 [0,2,0,0,0,0|1,0,0]=3 16521 B15R0.110 CCOC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100011206558 [0,2,0,0,0,0|1,0,0]=3 16522 B15R0.110 CCOC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_200011445536 [0,2,0,0,0,0|1,0,1]=4 16523 B15R0.210 C=C(CNCCCCCC(C)C)OCOC 34a_100011290863_100000042856 [0,2,0,0,0,0|2,0,0]=4 16524 B15R0.210 C=C(COCCCCCC(C)C)OCOC 34a_100011995859_100000042856 [0,2,0,0,0,0|2,0,0]=4 16525 B15R0.210 C=C(CSCCCCCC(C)C)OCOC 62a_100000042856_100000210682 [0,2,0,0,0,0|2,0,0]=4 16526 B15R0.210 C=C(CSCCCCCC(C)C)OCOC 62a_100000210682_100000042856 [0,2,0,0,0,0|2,0,0]=4 16527 B15R0.210 C=CCOC(=O)CNCCCCCC(C)C 2230a_100011290863_100000033060 [0,2,0,0,0,0|1,0,1]=4 16528 B15R0.210 C=CCOC(=O)CNCCCCCC(C)C 34a_100011290863_100000033060 [0,2,0,0,0,0|1,0,1]=4 16529 B15R0.210 C=CCOC(=O)COCCCCCC(C)C 34a_100011995859_100000033060 [0,2,0,0,0,0|1,0,1]=4 16530 B15R0.210 C=CCOC(=O)COCCCCCC(C)C 7a_100011995859_100000033060 [0,2,0,0,0,0|1,0,1]=4 16531 B15R0.210 C=CCOC(=O)CSCCCCCC(C)C 62a_100000033060_100000210682 [0,2,0,0,0,0|1,0,1]=4 16532 B15R0.210 C=CCOC(=O)CSCCCCCC(C)C 62a_100000210682_100000033060 [0,2,0,0,0,0|1,0,1]=4 16533 B15R0.210 CC(C)CCCCCCNC(=O)NCCF 2708a_100000211014_100000724931 [0,2,0,0,0,0|2,0,0]=4 16534 B15R0.210 CC(C)CCCCCCNC(=O)NCCF 273464a_100000211014_100000724931 [0,2,0,0,0,0|2,0,0]=4 16535 B15R0.210 CC(C)CCCCCCNC(=O)NCCF 273464a_100000724931_100000211014 [0,2,0,0,0,0|2,0,0]=4 16536 B15R0.210 CC(C)CCCCCCNC(=O)NCCF 512a_100000211014_100000724931 [0,2,0,0,0,0|2,0,0]=4 16537 B15R0.210 CC(C)CCCCCCNC(=O)NCCO 2708a_100000211014_100000210304 [0,2,0,0,0,0|2,0,0]=4 16538 B15R0.210 CC(C)CCCCCCNC(=O)NCCO 273464a_100000210304_100000211014 [0,2,0,0,0,0|2,0,0]=4 16539 B15R0.210 CC(C)CCCCCCNC(=O)NCCO 273464a_100000211014_100000210304 [0,2,0,0,0,0|2,0,0]=4 16540 B15R0.210 CC(C)CCCCCCNC(=O)NCCO 512a_100000211014_100000210304 [0,2,0,0,0,0|2,0,0]=4 16541 B15R0.210 CC(C)CCCCCNCC(=O)NCCF 2230a_100000725713_100000210682 [0,2,0,0,0,0|2,0,0]=4 16542 B15R0.210 CCC=CC(=O)NCCCCCCC(C)C 11a_100000211014_100000212282 [0,2,0,0,0,0|2,0,0]=4 16543 B15R0.210 CCC=CC(=O)NCCCCCCC(C)C 1626a_100000211014_100000212282 [0,2,0,0,0,0|2,0,0]=4 16544 B15R0.210 CCC=CC(=O)NCCCCCCC(C)C 240690a_100000211014_100000212282 [0,2,0,0,0,0|2,0,0]=4 16545 B15R0.210 CCCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000210183 [0,2,0,0,0,0|2,0,0]=4 16546 B15R0.210 CCCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000210183 [0,2,0,0,0,0|2,0,0]=4 16547 B15R0.210 CCCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000210183 [0,2,0,0,0,0|2,0,0]=4 16548 B15R0.210 CCCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000210183 [0,2,0,0,0,0|2,0,0]=4 16549 B15R0.210 CCCNC(=O)CCCNCCCC(C)C 2230a_200000737386_100011194427 [0,2,0,0,0,0|2,0,0]=4 16550 B15R0.210 CCCNC(=O)CCCOCCCC(C)C 7a_100000210774_100011194427 [0,2,0,0,0,0|2,0,0]=4 16551 B15R0.210 CCCNC(=O)CCCSCCCC(C)C 62a_100011194427_100011214892 [0,2,0,0,0,0|2,0,0]=4 16552 B15R0.210 CCCNC(=O)CCCSCCCC(C)C 62a_100011214892_100011194427 [0,2,0,0,0,0|2,0,0]=4 16553 B15R0.210 CCCNC(=O)CCCSCCCC(C)O 62a_100011194427_200000718107 [0,2,0,0,0,0|2,0,0]=4 16554 B15R0.210 CCCNC(=O)CCCSCCCC(C)O 62a_200000718107_100011194427 [0,2,0,0,0,0|2,0,0]=4 16555 B15R0.210 CCCNC(=O)CNCCCCCC(C)C 2230a_100000174927_100000210682 [0,2,0,0,0,0|2,0,0]=4 16556 B15R0.210 CCCNC(=O)CNCCCCCC(C)C 2230a_100011290863_100000183358 [0,2,0,0,0,0|2,0,0]=4 16557 B15R0.210 CCCNC(=O)CNCCCCCC(C)C 34a_100011290863_100000183358 [0,2,0,0,0,0|2,0,0]=4 16558 B15R0.210 CCCNC(=O)COCCCCCC(C)C 34a_100011995859_100000183358 [0,2,0,0,0,0|2,0,0]=4 16559 B15R0.210 CCCNC(=O)COCCCCCC(C)C 7a_100011995859_100000183358 [0,2,0,0,0,0|2,0,0]=4 16560 B15R0.210 CCCNC(=O)CSCCCCCC(C)C 62a_100000183358_100000210682 [0,2,0,0,0,0|2,0,0]=4 16561 B15R0.210 CCCNC(=O)CSCCCCCC(C)C 62a_100000210682_100000183358 [0,2,0,0,0,0|2,0,0]=4 16562 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 2708a_100000211014_100020643023 [0,2,0,0,0,0|2,0,0]=4 16563 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 2708a_100020643023_100000211014 [0,2,0,0,0,0|2,0,0]=4 16564 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 273464a_100000211014_100020643023 [0,2,0,0,0,0|2,0,0]=4 16565 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 273464a_100020643023_100000211014 [0,2,0,0,0,0|2,0,0]=4 16566 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 512a_100000211014_100020643023 [0,2,0,0,0,0|2,0,0]=4 16567 B15R0.210 CCCNC(=O)NCCCCCCC(C)C 512a_100020643023_100000211014 [0,2,0,0,0,0|2,0,0]=4 16568 B15R0.210 CCCOC(=O)CNCCCCCC(C)C 2230a_100011290863_200011215008 [0,2,0,0,0,0|1,0,0]=3 16569 B15R0.210 CCCOC(=O)CNCCCCCC(C)C 34a_100011290863_200011215008 [0,2,0,0,0,0|1,0,0]=3 16570 B15R0.210 CCCOC(=O)CNCCCOCC(C)C 2230a_100000205972_200011215008 [0,2,0,0,0,0|2,0,0]=4 16571 B15R0.210 CCCOC(=O)CNCCCOCC(C)C 34a_100000205972_200011215008 [0,2,0,0,0,0|2,0,0]=4 16572 B15R0.210 CCCOC(=O)COCCCCCC(C)C 34a_100011995859_200011215008 [0,2,0,0,0,0|1,0,0]=3 16573 B15R0.210 CCCOC(=O)COCCCCCC(C)C 7a_100011995859_200011215008 [0,2,0,0,0,0|1,0,0]=3 16574 B15R0.210 CCCOC(=O)COCCCCNC(C)C 34a_100011521146_200011215008 [0,2,0,0,0,0|2,0,0]=4 16575 B15R0.210 CCCOC(=O)CSCCCCCC(C)C 62a_100000210682_200011215008 [0,2,0,0,0,0|1,0,0]=3 16576 B15R0.210 CCCOC(=O)CSCCCCCC(C)C 62a_200011215008_100000210682 [0,2,0,0,0,0|1,0,0]=3 16577 B15R0.210 CCCOC(=O)OCOCCCCC(C)C 34a_100011214890_200000139673 [0,2,0,0,0,0|2,0,0]=4 16578 B15R0.210 CCCOC(=O)OCOCCCCC(C)C 7a_100011214890_200000139673 [0,2,0,0,0,0|2,0,0]=4 16579 B15R0.210 CCCOC(=O)OCSCCCCC(C)C 62a_100011216152_200000139673 [0,2,0,0,0,0|2,0,0]=4 16580 B15R0.210 CCNNC(=O)NCCCCCCC(C)C 273464a_100000211014_100000756455 [0,2,0,0,0,0|2,0,0]=4 16581 B15R0.210 CCNNC(=O)NCCCCCCC(C)C 512a_100000211014_100000756455 [0,2,0,0,0,0|2,0,0]=4 16582 B15R0.210 CCNNC(=O)NCCCCCCC(C)C 512a_100000756455_100000211014 [0,2,0,0,0,0|2,0,0]=4 16583 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 11a_100000211014_100000211967 [0,2,0,0,0,0|1,0,0]=3 16584 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000211967 [0,2,0,0,0,0|1,0,0]=3 16585 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000211967 [0,2,0,0,0,0|1,0,0]=3 16586 B15R0.210 CCOCC(=O)NCCCCCCC(C)C 527a_100000211014_100000211967 [0,2,0,0,0,0|1,0,0]=3 16587 B15R0.210 CCOCC(=O)NCCCCCCN(C)C 240690a_200011233508_100000211967 [0,2,0,0,0,0|2,0,0]=4 16588 B15R0.210 CCSCC(=O)NCCCCCCC(C)C 11a_100000211014_100000230394 [0,2,0,0,0,0|1,1,0]=4 16589 B15R0.210 CCSCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000230394 [0,2,0,0,0,0|1,1,0]=4 16590 B15R0.210 CCSCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000230394 [0,2,0,0,0,0|1,1,0]=4 16591 B15R0.210 CCSCC(=O)NCCCCCCC(C)C 527a_100000211014_100000230394 [0,2,0,0,0,0|1,1,0]=4 16592 B15R0.210 COCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000749529 [0,2,0,0,0,0|2,0,0]=4 16593 B15R0.210 COCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000749529 [0,2,0,0,0,0|2,0,0]=4 16594 B15R0.210 COCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000749529 [0,2,0,0,0,0|2,0,0]=4 16595 B15R0.210 COCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000749529 [0,2,0,0,0,0|2,0,0]=4 16596 B15R0.210 CSCCC(=O)NCCCCCCC(C)C 11a_100000211014_100000174002 [0,2,0,0,0,0|2,0,0]=4 16597 B15R0.210 CSCCC(=O)NCCCCCCC(C)C 1626a_100000211014_100000174002 [0,2,0,0,0,0|2,0,0]=4 16598 B15R0.210 CSCCC(=O)NCCCCCCC(C)C 240690a_100000211014_100000174002 [0,2,0,0,0,0|2,0,0]=4 16599 B15R0.210 CSCCC(=O)NCCCCCCC(C)C 527a_100000211014_100000174002 [0,2,0,0,0,0|2,0,0]=4 16600 B15R0.1737 CCCC(=O)CSCCCCCC(C)(C)O 62a_100000747444_100010402123 [0,2,0,0,0,0|2,0,0]=4 16601 B15R0.1737 CCCC(=O)CSCCCCCC(C)(C)O 62a_100010402123_100000747444 [0,2,0,0,0,0|2,0,0]=4 16602 B15R0.1737 CCNC(=O)CNCCCCCC(C)(C)O 2230a_100016988866_100010402123 [0,2,0,0,0,0|2,0,0]=4 16603 B15R0.1737 CCNC(=O)CSCCCCCC(C)(C)O 62a_100000183381_100010402123 [0,2,0,0,0,0|2,0,0]=4 16604 B15R0.1737 CCNC(=O)CSCCCCCC(C)(C)O 62a_100010402123_100000183381 [0,2,0,0,0,0|2,0,0]=4 16605 B15R0.1737 CCOC(=O)CCCCCCNC(C)(C)C 2230a_100000715429_100009814379 [0,2,0,0,0,0|1,0,0]=3 16606 B15R0.1737 CCOC(=O)CCCCCCOC(C)(C)C 34a_100015890283_100009814379 [0,2,0,0,0,0|1,0,0]=3 16607 B15R0.1737 CCOC(=O)CCCCCCOC(C)(C)C 7a_100015890283_100009814379 [0,2,0,0,0,0|1,0,0]=3 16608 B15R0.1737 CCOC(=O)CCCCCCSC(C)(C)C 62a_100000211941_100009814379 [0,2,0,0,0,0|1,0,0]=3 16609 B15R0.1737 CCOC(=O)CCCCCCSC(F)(F)F 62a_200000243211_100009814379 [0,2,0,0,0,0|2,0,0]=4 16610 B15R0.1737 CCOC(=O)CCCCCNCC(C)(C)C 2230a_100000743828_100000755133 [0,2,0,0,0,0|1,0,0]=3 16611 B15R0.1737 CCOC(=O)CCCCCNCC(C)(C)F 2230a_100020643315_100000755133 [0,2,0,0,0,0|1,0,0]=3 16612 B15R0.1737 CCOC(=O)CCCCCNCC(C)(C)O 2230a_100000751335_100000755133 [0,2,0,0,0,0|1,0,0]=3 16613 B15R0.1737 CCOC(=O)CCCCCNCC(F)(F)F 34a_100000717047_100000755133 [0,2,0,0,0,0|2,0,0]=4 16614 B15R0.1737 CCOC(=O)CCCCCOCC(C)(C)F 34a_100000716592_100000755133 [0,2,0,0,0,0|1,0,0]=3 16615 B15R0.1737 CCOC(=O)CCCCCOCC(C)(C)O 7a_100011214988_100000764493 [0,2,0,0,0,0|1,0,0]=3 16616 B15R0.1737 CCOC(=O)CCCCCOCC(C)(F)F 34a_100000068830_100000755133 [0,2,0,0,0,0|1,0,0]=3 16617 B15R0.1737 CCOC(=O)CCCCCOCC(F)(F)Br 34a_100011217949_100000755133 [0,2,0,0,0,0|2,0,0]=4 16618 B15R0.1737 CCOC(=O)CCCCCOCC(F)(F)Cl 34a_100000734434_100000755133 [0,2,0,0,0,0|2,0,0]=4 16619 B15R0.1737 CCOC(=O)CCCCCOCC(F)(F)F 34a_100000210435_100000755133 [0,2,0,0,0,0|2,0,0]=4 16620 B15R0.1737 CCOC(=O)CCCCCOC[Si](C)(C)C 7a_100011214988_100000233785 [0,2,0,0,0,0|1,1,0]=4 16621 B15R0.1737 CCOC(=O)CCCCCSCC(C)(C)C 62a_100000755133_100011219605 [0,2,0,0,0,0|1,0,0]=3 16622 B15R0.1737 CCOC(=O)CCCCCSCC(C)(C)C 62a_100011219605_100000755133 [0,2,0,0,0,0|1,0,0]=3 16623 B15R0.1737 CCOC(=O)CCCCCSCC(C)(C)F 62a_100000755133_100011997219 [0,2,0,0,0,0|1,0,0]=3 16624 B15R0.1737 CCOC(=O)CCCCCSCC(C)(C)F 62a_100011997219_100000755133 [0,2,0,0,0,0|1,0,0]=3 16625 B15R0.1737 CCOC(=O)CCCCCSCC(C)(C)O 62a_100000755133_100000764493 [0,2,0,0,0,0|1,0,0]=3 16626 B15R0.1737 CCOC(=O)CCCCCSCC(C)(C)O 62a_100000764493_100000755133 [0,2,0,0,0,0|1,0,0]=3 16627 B15R0.1737 CCOC(=O)CCCCCSCC(F)(F)F 62a_100000755133_100000763148 [0,2,0,0,0,0|2,0,0]=4 16628 B15R0.1737 CCOC(=O)CCCCCSCC(F)(F)F 62a_100000763148_100000755133 [0,2,0,0,0,0|2,0,0]=4 16629 B15R0.1737 CCOC(=O)CCCCCSC[N+](C)(C)C 62a_100000755133_200000036245 [0,2,0,0,0,0|2,0,0]=4 16630 B15R0.1737 CCOC(=O)CCCCCSC[N+](C)(C)C 62a_200000036245_100000755133 [0,2,0,0,0,0|2,0,0]=4 16631 B15R0.1737 CCOC(=O)CCCCCSC[Si](C)(C)C 62a_100000037933_100000755133 [0,2,0,0,0,0|1,1,0]=4 16632 B15R0.1737 CCOC(=O)CCCCCSC[Si](C)(C)C 62a_100000755133_100000037933 [0,2,0,0,0,0|1,1,0]=4 16633 B15R0.1737 CCOC(=O)CCCCNCCC(C)(C)C 2230a_100000738805_100000750268 [0,2,0,0,0,0|1,0,0]=3 16634 B15R0.1737 CCOC(=O)CCCCNCCC(C)(C)F 2230a_100016253952_100000750268 [0,2,0,0,0,0|1,0,0]=3 16635 B15R0.1737 CCOC(=O)CCCCNCCC(F)(F)F 2230a_100000740434_100000750268 [0,2,0,0,0,0|2,0,0]=4 16636 B15R0.1737 CCOC(=O)CCCCNCCC(F)(F)F 34a_100000740434_100000750268 [0,2,0,0,0,0|2,0,0]=4 16637 B15R0.1737 CCOC(=O)CCCCNCCS(=O)(=O)C 2230a_100000740961_100000750268 [0,2,0,0,0,0|2,0,0]=4 16638 B15R0.1737 CCOC(=O)CCCCNCCS(=O)(=O)C 34a_100000740961_100000750268 [0,2,0,0,0,0|2,0,0]=4 16639 B15R0.1737 CCOC(=O)CCCCOCCC(C)(C)C 7a_100000765024_100000750268 [0,2,0,0,0,0|1,0,0]=3 16640 B15R0.1737 CCOC(=O)CCCCOCCC(F)(F)F 34a_100000752437_100000750268 [0,2,0,0,0,0|2,0,0]=4 16641 B15R0.1737 CCOC(=O)CCCCOCCS(=O)(=O)C 34a_100000211924_100000750268 [0,2,0,0,0,0|2,0,0]=4 16642 B15R0.1737 CCOC(=O)CCCCOCCS(=O)(=O)C 7a_100000211924_100000750268 [0,2,0,0,0,0|2,0,0]=4 16643 B15R0.1737 CCOC(=O)CCCCOCC[N+](C)(C)C 7a_200020618287_100000750268 [0,2,0,0,0,0|2,0,0]=4 16644 B15R0.1737 CCOC(=O)CCCCOCC[Si](C)(C)C 7a_100000039746_100000750268 [0,2,0,0,0,0|1,1,0]=4 16645 B15R0.1737 CCOC(=O)CCCCSCCC(C)(C)C 62a_100000750268_100000755188 [0,2,0,0,0,0|1,0,0]=3 16646 B15R0.1737 CCOC(=O)CCCCSCCC(C)(C)C 62a_100000755188_100000750268 [0,2,0,0,0,0|1,0,0]=3 16647 B15R0.1737 CCOC(=O)CCCCSCCC(C)(C)O 62a_100000702414_100000750268 [0,2,0,0,0,0|1,0,0]=3 16648 B15R0.1737 CCOC(=O)CCCCSCCC(C)(C)O 62a_100000750268_100000702414 [0,2,0,0,0,0|1,0,0]=3 16649 B15R0.1737 CCOC(=O)CCCCSCCC(F)(F)F 62a_100000750268_100011219754 [0,2,0,0,0,0|2,0,0]=4 16650 B15R0.1737 CCOC(=O)CCCCSCCC(F)(F)F 62a_100011219754_100000750268 [0,2,0,0,0,0|2,0,0]=4 16651 B15R0.1737 CCOC(=O)CCCCSCCS(=O)(=O)C 62a_100000731031_100000750268 [0,2,0,0,0,0|2,0,0]=4 16652 B15R0.1737 CCOC(=O)CCCCSCCS(=O)(=O)C 62a_100000750268_100000230027 [0,2,0,0,0,0|2,0,0]=4 16653 B15R0.1737 CCOC(=O)CCCCSCC[N+](C)(C)C 62a_100000085578_100000750268 [0,2,0,0,0,0|2,0,0]=4 16654 B15R0.1737 CCOC(=O)CCCCSCC[N+](C)(C)C 62a_100000750268_100000085578 [0,2,0,0,0,0|2,0,0]=4 16655 B15R0.1737 CCOC(=O)CCCCSCC[Si](C)(C)C 62a_100000750268_200000733723 [0,2,0,0,0,0|1,1,0]=4 16656 B15R0.1737 CCOC(=O)CCCCSCC[Si](C)(C)C 62a_200000733723_100000750268 [0,2,0,0,0,0|1,1,0]=4 16657 B15R0.1737 CCOC(=O)CCCNCCCC(F)(F)F 2230a_100000727188_100009991533 [0,2,0,0,0,0|2,0,0]=4 16658 B15R0.1737 CCOC(=O)CCCNCCCC(F)(F)F 34a_100000727188_100009991533 [0,2,0,0,0,0|2,0,0]=4 16659 B15R0.1737 CCOC(=O)CCCNCCCS(=O)(=O)C 2230a_100000742409_100009991533 [0,2,0,0,0,0|2,0,0]=4 16660 B15R0.1737 CCOC(=O)CCCNCCCS(=O)(=O)C 34a_100000742409_100009991533 [0,2,0,0,0,0|2,0,0]=4 16661 B15R0.1737 CCOC(=O)CCCNCCOC(C)(C)C 2230a_100000747557_100009991533 [0,2,0,0,0,0|2,0,0]=4 16662 B15R0.1737 CCOC(=O)CCCNCCSC(C)(C)C 2230a_100000689375_100009991533 [0,2,0,0,0,0|2,0,0]=4 16663 B15R0.1737 CCOC(=O)CCCOCCCC(C)(C)O 7a_100012001163_100009888830 [0,2,0,0,0,0|1,0,0]=3 16664 B15R0.1737 CCOC(=O)CCCOCCCC(F)(F)F 34a_100000749235_100009991533 [0,2,0,0,0,0|2,0,0]=4 16665 B15R0.1737 CCOC(=O)CCCOCCCC(F)(F)F 7a_100012001163_100011216173 [0,2,0,0,0,0|2,0,0]=4 16666 B15R0.1737 CCOC(=O)CCCOCCCS(=O)(=O)C 34a_100000689940_100009991533 [0,2,0,0,0,0|2,0,0]=4 16667 B15R0.1737 CCOC(=O)CCCOCCCS(=O)(=O)C 7a_100000689940_100011215271 [0,2,0,0,0,0|2,0,0]=4 16668 B15R0.1737 CCOC(=O)CCCOCCCS(=O)(=O)C 7a_100012001163_100000754308 [0,2,0,0,0,0|2,0,0]=4 16669 B15R0.1737 CCOC(=O)CCCOCCC[N+](C)(C)C 7a_100012001163_100016990835 [0,2,0,0,0,0|2,0,0]=4 16670 B15R0.1737 CCOC(=O)CCCOCCC[Si](C)(C)C 7a_100012001163_100011219597 [0,2,0,0,0,0|1,1,0]=4 16671 B15R0.1737 CCOC(=O)CCCOCCC[Si](C)(C)C 7a_200011215415_100011215271 [0,2,0,0,0,0|1,1,0]=4 16672 B15R0.1737 CCOC(=O)CCCOCCOC(C)(C)C 34a_100000693234_100009991533 [0,2,0,0,0,0|2,0,0]=4 16673 B15R0.1737 CCOC(=O)CCCOCCOC(C)(C)C 7a_100000693234_100011215271 [0,2,0,0,0,0|2,0,0]=4 16674 B15R0.1737 CCOC(=O)CCCSCCCC(C)(C)O 62a_100009888830_100009991533 [0,2,0,0,0,0|1,0,0]=3 16675 B15R0.1737 CCOC(=O)CCCSCCCC(C)(C)O 62a_100009991533_100009888830 [0,2,0,0,0,0|1,0,0]=3 16676 B15R0.1737 CCOC(=O)CCCSCCCC(F)(F)F 62a_100009991533_100011216173 [0,2,0,0,0,0|2,0,0]=4 16677 B15R0.1737 CCOC(=O)CCCSCCCC(F)(F)F 62a_100011216173_100009991533 [0,2,0,0,0,0|2,0,0]=4 16678 B15R0.1737 CCOC(=O)CCCSCCCS(=O)(=O)C 62a_100000754308_100009991533 [0,2,0,0,0,0|2,0,0]=4 16679 B15R0.1737 CCOC(=O)CCCSCCCS(=O)(=O)C 62a_100009991533_100000754308 [0,2,0,0,0,0|2,0,0]=4 16680 B15R0.1737 CCOC(=O)CCCSCCC[N+](C)(C)C 62a_100009991533_100016990835 [0,2,0,0,0,0|2,0,0]=4 16681 B15R0.1737 CCOC(=O)CCCSCCC[N+](C)(C)C 62a_100016990835_100009991533 [0,2,0,0,0,0|2,0,0]=4 16682 B15R0.1737 CCOC(=O)CCCSCCC[Si](C)(C)C 62a_100009991533_100011219597 [0,2,0,0,0,0|1,1,0]=4 16683 B15R0.1737 CCOC(=O)CCCSCCC[Si](C)(C)C 62a_100011219597_100009991533 [0,2,0,0,0,0|1,1,0]=4 16684 B15R0.1737 CCOC(=O)CCNCCCOC(C)(C)C 2230a_100011250582_100011206558 [0,2,0,0,0,0|2,0,0]=4 16685 B15R0.1737 CCOC(=O)CCOCCCCC(F)(F)F 34a_100000749236_100000765890 [0,2,0,0,0,0|2,0,0]=4 16686 B15R0.1737 CCOC(=O)CCOCCCCC(F)(F)F 7a_100000749236_100011206558 [0,2,0,0,0,0|2,0,0]=4 16687 B15R0.1737 CCOC(=O)CCOCCCC[Si](C)(C)C 7a_200009881916_100011206558 [0,2,0,0,0,0|1,1,0]=4 16688 B15R0.1737 CCOC(=O)CCSCCCCC(F)(F)F 62a_100000692467_100000765890 [0,2,0,0,0,0|2,0,0]=4 16689 B15R0.1737 CCOC(=O)CCSCCCCC(F)(F)F 62a_100000765890_100000692467 [0,2,0,0,0,0|2,0,0]=4 16690 B15R0.1737 CCOC(=O)COCCCNCC(C)(C)C 2230a_100000743828_100009893628 [0,2,0,0,0,0|2,0,0]=4 16691 B15R0.1737 CCOC(=O)COCCCNCC(C)(C)F 2230a_100020643315_100009893628 [0,2,0,0,0,0|2,0,0]=4 16692 B15R0.1737 CCOC(=O)COCCCNCC(C)(C)O 2230a_100000751335_100009893628 [0,2,0,0,0,0|2,0,0]=4 16693 B15R0.1737 CCOC(=O)COCCCOCC(C)(C)F 34a_100000716592_100009893628 [0,2,0,0,0,0|2,0,0]=4 16694 B15R0.1737 CCOC(=O)COCCCOCC(C)(F)F 34a_100000068830_100009893628 [0,2,0,0,0,0|2,0,0]=4 16695 B15R0.1737 CCOC(=O)COCCCSCC(C)(C)C 62a_100009893628_100011219605 [0,2,0,0,0,0|2,0,0]=4 16696 B15R0.1737 CCOC(=O)COCCCSCC(C)(C)C 62a_100011219605_100009893628 [0,2,0,0,0,0|2,0,0]=4 16697 B15R0.1737 CCOC(=O)COCCCSCC(C)(C)F 62a_100009893628_100011997219 [0,2,0,0,0,0|2,0,0]=4 16698 B15R0.1737 CCOC(=O)COCCCSCC(C)(C)F 62a_100011997219_100009893628 [0,2,0,0,0,0|2,0,0]=4 16699 B15R0.1737 CCOC(=O)COCCCSCC(C)(C)O 62a_100000764493_100009893628 [0,2,0,0,0,0|2,0,0]=4 16700 B15R0.1737 CCOC(=O)COCCCSCC(C)(C)O 62a_100009893628_100000764493 [0,2,0,0,0,0|2,0,0]=4 16701 B15R0.1737 CCOC(=O)COCCNCCC(C)(C)C 2230a_100000738805_100000088970 [0,2,0,0,0,0|2,0,0]=4 16702 B15R0.1737 CCOC(=O)COCCNCCC(C)(C)F 2230a_100016253952_100000088970 [0,2,0,0,0,0|2,0,0]=4 16703 B15R0.1737 CCOC(=O)COCCOCCC(C)(C)C 7a_100000765024_100000088970 [0,2,0,0,0,0|2,0,0]=4 16704 B15R0.1737 CCOC(=O)COCCSCCC(C)(C)C 62a_100000088970_100000755188 [0,2,0,0,0,0|2,0,0]=4 16705 B15R0.1737 CCOC(=O)COCCSCCC(C)(C)C 62a_100000755188_100000088970 [0,2,0,0,0,0|2,0,0]=4 16706 B15R0.1737 CCOC(=O)COCCSCCC(C)(C)O 62a_100000088970_100000702414 [0,2,0,0,0,0|2,0,0]=4 16707 B15R0.1737 CCOC(=O)COCCSCCC(C)(C)O 62a_100000702414_100000088970 [0,2,0,0,0,0|2,0,0]=4 16708 B15R0.1737 CCOC(=O)CSCCCCCC(C)(C)O 62a_100000188475_100010402123 [0,2,0,0,0,0|1,0,0]=3 16709 B15R0.1737 CCOC(=O)CSCCCCCC(C)(C)O 62a_100010402123_100000188475 [0,2,0,0,0,0|1,0,0]=3 16710 B15R0.1737 CCOC(=O)CSCCCCCC(F)(F)F 62a_100000188475_100010187589 [0,2,0,0,0,0|2,0,0]=4 16711 B15R0.1737 CCOC(=O)CSCCCCCC(F)(F)F 62a_100010187589_100000188475 [0,2,0,0,0,0|2,0,0]=4 16712 B15R0.1737 CCOC(=O)CSCCCCC[N+](C)(C)C 62a_100000188475_100009813293 [0,2,0,0,0,0|2,0,0]=4 16713 B15R0.1737 CCOC(=O)CSCCCCC[N+](C)(C)C 62a_100009813293_100000188475 [0,2,0,0,0,0|2,0,0]=4 16714 B15R0.1737 CCOC(=O)CSCCOCCC(C)(C)C 7a_200000230590_100000755188 [0,2,0,0,0,0|2,0,0]=4 16715 B15R0.1737 CCOC(=O)CSCCOCCC(C)(C)O 7a_200000230590_100000702414 [0,2,0,0,0,0|2,0,0]=4 16716 B15R0.1737 CCOC(=O)NCCOCCCC(C)(C)O 34a_100000158857_100009888830 [0,2,0,0,0,0|2,0,0]=4 16717 B15R0.1737 CCOC(=O)NCCSCCCC(C)(C)O 62a_100009888830_200011445536 [0,2,0,0,0,0|2,0,0]=4 16718 B15R0.88 C#CCCCCCCCC(=O)COC(C)C 1458a_100000745533_100153394163 [0,2,0,0,0,0|0,0,2]=4 16719 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_100000210558_100000730704 [0,2,0,0,0,0|1,0,0]=3 16720 B15R0.88 C=C(C)CCC(=O)CCCCCCCCC 1458a_200000688413_100000210670 [0,2,0,0,0,0|1,0,0]=3 16721 B15R0.88 C=C(C)CCC(=O)CCCCCCCCO 1458a_200000688413_100000033203 [0,2,0,0,0,0|2,0,0]=4 16722 B15R0.88 C=C(C)CCC(=O)NCCCCCCCC 11a_100000229939_200000688413 [0,2,0,0,0,0|2,0,0]=4 16723 B15R0.88 C=C(C)CCC(=O)NCCCCCCCC 1626a_100000229939_200000688413 [0,2,0,0,0,0|2,0,0]=4 16724 B15R0.88 C=C(C)CCC(=O)NCCCCCCCC 240690a_100000229939_200000688413 [0,2,0,0,0,0|2,0,0]=4 16725 B15R0.88 C=C(C)CCC(=O)NCCCCCCCC 527a_100000229939_200000688413 [0,2,0,0,0,0|2,0,0]=4 16726 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC 11a_100000765925_100000210558 [0,2,0,0,0,0|1,0,0]=3 16727 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC 1626a_100000765925_100000210558 [0,2,0,0,0,0|1,0,0]=3 16728 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC 240690a_100000765925_100000210558 [0,2,0,0,0,0|1,0,0]=3 16729 B15R0.88 C=C(C)CNC(=O)CCCCCCCCC 527a_100000765925_100000210558 [0,2,0,0,0,0|1,0,0]=3 16730 B15R0.88 C=C(C)CNC(=O)CCCCCCCCO 240690a_100000765925_100000015970 [0,2,0,0,0,0|2,0,0]=4 16731 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 2708a_100000229939_100000765925 [0,2,0,0,0,0|2,0,0]=4 16732 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 2708a_100000765925_100000229939 [0,2,0,0,0,0|2,0,0]=4 16733 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 273464a_100000229939_100000765925 [0,2,0,0,0,0|2,0,0]=4 16734 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 273464a_100000765925_100000229939 [0,2,0,0,0,0|2,0,0]=4 16735 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 512a_100000229939_100000765925 [0,2,0,0,0,0|2,0,0]=4 16736 B15R0.88 C=C(C)CNC(=O)NCCCCCCCC 512a_100000765925_100000229939 [0,2,0,0,0,0|2,0,0]=4 16737 B15R0.88 C=C(C)COC(C)CCCCCCCCC 34a_100011218016_100000748629 [0,2,0,0,0,0|1,0,1]=4 16738 B15R0.88 C=C(C)COC(C)CCCCCCCCC 7a_100011218016_100000748629 [0,2,0,0,0,0|1,0,1]=4 16739 B15R0.88 C=CCCCCCCCC(=O)COC(C)C 1458a_100000745533_100012355270 [0,2,0,0,0,0|0,0,2]=4 16740 B15R0.88 CC(=O)OCC(=O)CCCCCCCCO 1458a_100000183556_100000033203 [0,2,0,0,0,0|1,0,1]=4 16741 B15R0.88 CC(C)C=CC(=O)CCCCCCCCO 1458a_100016268746_100000033203 [0,2,0,0,0,0|2,0,0]=4 16742 B15R0.88 CC(C)CCC(=O)CCCCCCCCO 1458a_100000181311_100000033203 [0,2,0,0,0,0|2,0,0]=4 16743 B15R0.88 CC(C)CNC(=O)CCCCCCCCO 240690a_100000210953_100000015970 [0,2,0,0,0,0|2,0,0]=4 16744 B15R0.88 CC(C)NNC(=O)CCCCCCCCO 22a_100000741168_100000015970 [0,2,0,0,0,0|2,0,0]=4 16745 B15R0.88 CC(C)OCC(=O)CCCCCCCCO 1458a_100000745533_100000033203 [0,2,0,0,0,0|1,0,0]=3 16746 B15R0.88 CC(C)OCC(=O)NCCCCCCCO 240690a_100011996573_100000745533 [0,2,0,0,0,0|2,0,0]=4 16747 B15R0.88 CC(C)SCC(=O)CCCCCCCCO 1458a_100000241585_100000033203 [0,2,0,0,0,0|1,1,0]=4 16748 B15R0.88 CC(O)CNC(=O)CCCCCCCCO 240690a_100000210904_100000015970 [0,2,0,0,0,0|2,0,0]=4 16749 B15R0.88 CCCCC#CCCCC(=O)COC(C)C 1458a_100000745533_200000047210 [0,2,0,0,0,0|0,0,2]=4 16750 B15R0.88 CCCCCCCCCC(=NNC(C)C)C 4a_100000741168_100011215753 [0,2,0,0,0,0|2,0,0]=4 16751 B15R0.88 CCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210670 [0,2,0,0,0,0|1,0,0]=3 16752 B15R0.88 CCCCCCCCCC(=O)CC=C(C)C 1458a_100000210558_100000761012 [0,2,0,0,0,0|1,0,1]=4 16753 B15R0.88 CCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210670 [0,2,0,0,0,0|1,0,1]=4 16754 B15R0.88 CCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210670 [0,2,0,0,0,0|1,0,1]=4 16755 B15R0.88 CCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210670 [0,2,0,0,0,0|1,0,0]=3 16756 B15R0.88 CCCCCCCCCC(=O)CCC(C)C 1458a_100000210558_100000210312 [0,2,0,0,0,0|1,0,0]=3 16757 B15R0.88 CCCCCCCCCC(=O)CCC(C)O 1458a_100000210558_100012276601 [0,2,0,0,0,0|1,0,0]=3 16758 B15R0.88 CCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210670 [0,2,0,0,0,0|2,0,0]=4 16759 B15R0.88 CCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210670 [0,2,0,0,0,0|1,0,0]=3 16760 B15R0.88 CCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210670 [0,2,0,0,0,0|1,0,1]=4 16761 B15R0.88 CCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100000210670 [0,2,0,0,0,0|0,0,1]=3 16762 B15R0.88 CCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210670 [0,2,0,0,0,0|0,0,0]=2 16763 B15R0.88 CCCCCCCCCC(=O)COC(F)F 1458a_200000719455_100000210670 [0,2,0,0,0,0|1,0,0]=3 16764 B15R0.88 CCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210670 [0,2,0,0,0,0|0,1,1]=4 16765 B15R0.88 CCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210670 [0,2,0,0,0,0|0,1,0]=3 16766 B15R0.88 CCCCCCCCCC(=O)CSC(F)F 1458a_114828291038_100000210670 [0,2,0,0,0,0|1,1,0]=4 16767 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 11a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 16768 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 240690a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 16769 B15R0.88 CCCCCCCCCC(=O)NCC(=O)N 527a_100000711301_100000210558 [0,2,0,0,0,0|1,0,1]=4 16770 B15R0.88 CCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210558 [0,2,0,0,0,0|1,0,0]=3 16771 B15R0.88 CCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210558 [0,2,0,0,0,0|1,0,0]=3 16772 B15R0.88 CCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210558 [0,2,0,0,0,0|1,0,0]=3 16773 B15R0.88 CCCCCCCCCC(=O)NCC(C)C 527a_100000210953_100000210558 [0,2,0,0,0,0|1,0,0]=3 16774 B15R0.88 CCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210558 [0,2,0,0,0,0|1,0,0]=3 16775 B15R0.88 CCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210558 [0,2,0,0,0,0|1,0,0]=3 16776 B15R0.88 CCCCCCCCCC(=O)NCC(C)O 527a_100000210904_100000210558 [0,2,0,0,0,0|1,0,0]=3 16777 B15R0.88 CCCCCCCCCC(=O)NCC(F)F 11a_100000765723_100000210558 [0,2,0,0,0,0|1,0,0]=3 16778 B15R0.88 CCCCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000210558 [0,2,0,0,0,0|1,0,0]=3 16779 B15R0.88 CCCCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000210558 [0,2,0,0,0,0|1,0,0]=3 16780 B15R0.88 CCCCCCCCCC(=O)NCC(F)F 527a_100000765723_100000210558 [0,2,0,0,0,0|1,0,0]=3 16781 B15R0.88 CCCCCCCCCC(=O)NNC(=O)C 22a_100000189765_100000210558 [0,2,0,0,0,0|1,0,1]=4 16782 B15R0.88 CCCCCCCCCC(=O)NNC(=O)C 22a_100011221126_100000070787 [0,2,0,0,0,0|1,0,1]=4 16783 B15R0.88 CCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000210558 [0,2,0,0,0,0|1,0,0]=3 16784 B15R0.88 CCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_200010990708 [0,2,0,0,0,0|0,0,0]=2 16785 B15R0.88 CCCCCCCCCC(=O)OCN(C)C 2230a_100102631434_200010990708 [0,2,0,0,0,0|0,0,0]=2 16786 B15R0.88 CCCCCCCCCC(=O)OCN(C)C 269982a_100102631434_200010990708 [0,2,0,0,0,0|0,0,0]=2 16787 B15R0.88 CCCCCCCCCC(C)OCC(C)C 34a_100011218016_100000210624 [0,2,0,0,0,0|1,0,1]=4 16788 B15R0.88 CCCCCCCCCC(C)OCC(C)C 7a_100011218016_100000210760 [0,2,0,0,0,0|1,0,1]=4 16789 B15R0.88 CCCCCCCCCC(C)OCC(C)O 34a_100011218016_100011218427 [0,2,0,0,0,0|1,0,1]=4 16790 B15R0.88 CCCCCCCCCC(C)OCC(C)O 7a_100011218016_100011218427 [0,2,0,0,0,0|1,0,1]=4 16791 B15R0.88 CCCCCCCCCC(C)OCC(F)F 34a_100011218016_100011934356 [0,2,0,0,0,0|1,0,1]=4 16792 B15R0.88 CCCCCCCCCC(C)OCC(F)F 7a_100011218016_100011934356 [0,2,0,0,0,0|1,0,1]=4 16793 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 34a_100011218016_100009817552 [0,2,0,0,0,0|1,0,1]=4 16794 B15R0.88 CCCCCCCCCC(C)OC[C@@H](C)O 7a_100011218016_100009817552 [0,2,0,0,0,0|1,0,1]=4 16795 B15R0.88 CCCCCCCCCN(C)COC(C)C 2230a_100000232482_100000709892 [0,2,0,0,0,0|2,0,0]=4 16796 B15R0.88 CCCCCCCCCN(C)COC(C)C 269982a_100000232482_100000709892 [0,2,0,0,0,0|2,0,0]=4 16797 B15R0.88 CCCCCCCCNC(=O)C=CC(C)C 11a_100000229939_100016268746 [0,2,0,0,0,0|2,0,0]=4 16798 B15R0.88 CCCCCCCCNC(=O)C=CC(C)C 1626a_100000229939_100016268746 [0,2,0,0,0,0|2,0,0]=4 16799 B15R0.88 CCCCCCCCNC(=O)C=CC(C)C 240690a_100000229939_100016268746 [0,2,0,0,0,0|2,0,0]=4 16800 B15R0.88 CCCCCCCCNC(=O)CCC(C)C 11a_100000229939_100000181311 [0,2,0,0,0,0|2,0,0]=4 16801 B15R0.88 CCCCCCCCNC(=O)CCC(C)C 1626a_100000229939_100000181311 [0,2,0,0,0,0|2,0,0]=4 16802 B15R0.88 CCCCCCCCNC(=O)CCC(C)C 240690a_100000229939_100000181311 [0,2,0,0,0,0|2,0,0]=4 16803 B15R0.88 CCCCCCCCNC(=O)CCC(C)C 527a_100000229939_100000181311 [0,2,0,0,0,0|2,0,0]=4 16804 B15R0.88 CCCCCCCCNC(=O)CCC(C)O 1626a_100000229939_100000718519 [0,2,0,0,0,0|2,0,0]=4 16805 B15R0.88 CCCCCCCCNC(=O)CCN(C)C 11a_100000229939_100000689311 [0,2,0,0,0,0|2,0,0]=4 16806 B15R0.88 CCCCCCCCNC(=O)CCN(C)C 240690a_100000229939_100000689311 [0,2,0,0,0,0|2,0,0]=4 16807 B15R0.88 CCCCCCCCNC(=O)CCN(C)C 527a_100000229939_100000689311 [0,2,0,0,0,0|2,0,0]=4 16808 B15R0.88 CCCCCCCCNC(=O)CC[S+](C)C 11a_100000229939_100009452791 [0,2,0,0,0,0|2,0,0]=4 16809 B15R0.88 CCCCCCCCNC(=O)CC[S+](C)C 1626a_100000229939_100009452791 [0,2,0,0,0,0|2,0,0]=4 16810 B15R0.88 CCCCCCCCNC(=O)CC[S+](C)C 240690a_100000229939_100009452791 [0,2,0,0,0,0|2,0,0]=4 16811 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 1626a_100000229939_100000183556 [0,2,0,0,0,0|1,0,1]=4 16812 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 240690a_100000229939_100000183556 [0,2,0,0,0,0|1,0,1]=4 16813 B15R0.88 CCCCCCCCNC(=O)COC(=O)C 527a_100000229939_100000183556 [0,2,0,0,0,0|1,0,1]=4 16814 B15R0.88 CCCCCCCCNC(=O)COC(C)C 11a_100000229939_100000745533 [0,2,0,0,0,0|1,0,0]=3 16815 B15R0.88 CCCCCCCCNC(=O)COC(C)C 1626a_100000229939_100000745533 [0,2,0,0,0,0|1,0,0]=3 16816 B15R0.88 CCCCCCCCNC(=O)COC(C)C 240690a_100000229939_100000745533 [0,2,0,0,0,0|1,0,0]=3 16817 B15R0.88 CCCCCCCCNC(=O)COC(C)C 527a_100000229939_100000745533 [0,2,0,0,0,0|1,0,0]=3 16818 B15R0.88 CCCCCCCCNC(=O)COC(F)F 11a_100000229939_200000719455 [0,2,0,0,0,0|2,0,0]=4 16819 B15R0.88 CCCCCCCCNC(=O)COC(F)F 1626a_100000229939_200000719455 [0,2,0,0,0,0|2,0,0]=4 16820 B15R0.88 CCCCCCCCNC(=O)COC(F)F 240690a_100000229939_200000719455 [0,2,0,0,0,0|2,0,0]=4 16821 B15R0.88 CCCCCCCCNC(=O)COC(F)F 527a_100000229939_200000719455 [0,2,0,0,0,0|2,0,0]=4 16822 B15R0.88 CCCCCCCCNC(=O)CSC(C)C 11a_100000229939_100000241585 [0,2,0,0,0,0|1,1,0]=4 16823 B15R0.88 CCCCCCCCNC(=O)CSC(C)C 1626a_100000229939_100000241585 [0,2,0,0,0,0|1,1,0]=4 16824 B15R0.88 CCCCCCCCNC(=O)CSC(C)C 240690a_100000229939_100000241585 [0,2,0,0,0,0|1,1,0]=4 16825 B15R0.88 CCCCCCCCNC(=O)CSC(C)C 527a_100000229939_100000241585 [0,2,0,0,0,0|1,1,0]=4 16826 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000229939 [0,2,0,0,0,0|2,0,0]=4 16827 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 2708a_100000229939_100000210953 [0,2,0,0,0,0|2,0,0]=4 16828 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000229939 [0,2,0,0,0,0|2,0,0]=4 16829 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 273464a_100000229939_100000210953 [0,2,0,0,0,0|2,0,0]=4 16830 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000229939 [0,2,0,0,0,0|2,0,0]=4 16831 B15R0.88 CCCCCCCCNC(=O)NCC(C)C 512a_100000229939_100000210953 [0,2,0,0,0,0|2,0,0]=4 16832 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 2708a_100000229939_100000210904 [0,2,0,0,0,0|2,0,0]=4 16833 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000229939 [0,2,0,0,0,0|2,0,0]=4 16834 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 273464a_100000229939_100000210904 [0,2,0,0,0,0|2,0,0]=4 16835 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000229939 [0,2,0,0,0,0|2,0,0]=4 16836 B15R0.88 CCCCCCCCNC(=O)NCC(C)O 512a_100000229939_100000210904 [0,2,0,0,0,0|2,0,0]=4 16837 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 2708a_100000229939_100000765723 [0,2,0,0,0,0|2,0,0]=4 16838 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 273464a_100000229939_100000765723 [0,2,0,0,0,0|2,0,0]=4 16839 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 273464a_100000765723_100000229939 [0,2,0,0,0,0|2,0,0]=4 16840 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 512a_100000229939_100000765723 [0,2,0,0,0,0|2,0,0]=4 16841 B15R0.88 CCCCCCCCNC(=O)NCC(F)F 512a_100000765723_100000229939 [0,2,0,0,0,0|2,0,0]=4 16842 B15R0.88 CCCCCCCCNC(=O)NNC(C)C 273464a_100000229939_100000741168 [0,2,0,0,0,0|2,0,0]=4 16843 B15R0.88 CCCCCCCCNC(=O)NNC(C)C 512a_100000229939_100000741168 [0,2,0,0,0,0|2,0,0]=4 16844 B15R0.88 CCCCCCCCNC(=O)NNC(C)C 512a_100000741168_100000229939 [0,2,0,0,0,0|2,0,0]=4 16845 B15R0.88 CCCCCCCNCC(=O)NCC(C)C 2230a_100000229938_100000183291 [0,2,0,0,0,0|2,0,0]=4 16846 B15R0.88 CCCCCCCOCC(=O)COC(=O)C 34a_100000210272_100000036994 [0,2,0,0,0,0|1,0,1]=4 16847 B15R0.88 CCCCCCCOCC(=O)NCC(C)C 34a_100000210272_100000183291 [0,2,0,0,0,0|2,0,0]=4 16848 B15R0.88 CCCCCCCOCC(=O)NCC(C)C 7a_100000210272_100000183291 [0,2,0,0,0,0|2,0,0]=4 16849 B15R0.88 CCCCCCCSCC(=O)COC(=O)C 62a_100000036994_100000210316 [0,2,0,0,0,0|1,0,1]=4 16850 B15R0.88 CCCCCCCSCC(=O)COC(=O)C 62a_100000210614_100000036994 [0,2,0,0,0,0|1,0,1]=4 16851 B15R0.88 CCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210316 [0,2,0,0,0,0|2,0,0]=4 16852 B15R0.88 CCCCCCCSCC(=O)NCC(C)C 62a_100000210614_100000183291 [0,2,0,0,0,0|2,0,0]=4 16853 B15R0.88 CCCCCNCCCC(=O)NCC(C)C 2230a_100000209983_100011194448 [0,2,0,0,0,0|2,0,0]=4 16854 B15R0.88 CCCCCOCCCC(=O)NCC(C)C 34a_100000210253_100011194448 [0,2,0,0,0,0|2,0,0]=4 16855 B15R0.88 CCCCCOCCCC(=O)NCC(C)C 7a_100000210253_100011194448 [0,2,0,0,0,0|2,0,0]=4 16856 B15R0.88 CCCCCSCCCC(=O)NCC(C)C 62a_100000210326_100011194448 [0,2,0,0,0,0|2,0,0]=4 16857 B15R0.88 CCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210326 [0,2,0,0,0,0|2,0,0]=4 16858 B15R0.88 CCCCOCCCNC(=O)COC(C)C 1626a_200000211371_100000745533 [0,2,0,0,0,0|2,0,0]=4 16859 B15R0.88 CCCCOCCCNC(=O)COC(C)C 240690a_200000211371_100000745533 [0,2,0,0,0,0|2,0,0]=4 16860 B15R0.88 CCCCOCCCNC(=O)COC(C)C 527a_200000211371_100000745533 [0,2,0,0,0,0|2,0,0]=4 16861 B15R0.88 C[S+](C)CCC(=O)CCCCCCCCO 1458a_100009452791_100000033203 [0,2,0,0,0,0|2,0,0]=4 16862 B15R0.88 O=C(CCCCCCCCO)COC(F)F 1458a_200000719455_100000033203 [0,2,0,0,0,0|2,0,0]=4 16863 B15R0.88 O=C(CCCCCCCCO)NCC(F)F 240690a_100000765723_100000015970 [0,2,0,0,0,0|2,0,0]=4 16864 B15R0.322 C#CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000731252 [0,2,0,0,0,0|1,0,0]=3 16865 B15R0.322 C#CCCCC(=O)CCCCCCCCC 1458a_100000690238_100000210670 [0,2,0,0,0,0|1,0,0]=3 16866 B15R0.322 C#CCCCC(=O)CCCCCCCCO 1458a_100000690238_100000033203 [0,2,0,0,0,0|2,0,0]=4 16867 B15R0.322 C#CCCCC(=O)NCCCCCCCC 11a_100000229939_100000690238 [0,2,0,0,0,0|2,0,0]=4 16868 B15R0.322 C#CCCCC(=O)NCCCCCCCC 1626a_100000229939_100000690238 [0,2,0,0,0,0|2,0,0]=4 16869 B15R0.322 C#CCCCC(=O)NCCCCCCCC 240690a_100000229939_100000690238 [0,2,0,0,0,0|2,0,0]=4 16870 B15R0.322 C#CCCCC(=O)NCCCCCCCC 527a_100000229939_100000690238 [0,2,0,0,0,0|2,0,0]=4 16871 B15R0.322 C#CCCCCCCCC(=O)C=COCC 1458a_100016266692_100153394163 [0,2,0,0,0,0|0,0,2]=4 16872 B15R0.322 C#CCCCCCCCC(=O)CCOCC 1458a_100000087357_100011215890 [0,2,0,0,0,0|0,0,2]=4 16873 B15R0.322 C#CCCCCCCCC(=O)CCOCC 1458a_100000749530_100153394163 [0,2,0,0,0,0|0,0,2]=4 16874 B15R0.322 C#CCCCCCCCC(=O)COCCC 1458a_100000745993_100153394163 [0,2,0,0,0,0|0,0,2]=4 16875 B15R0.322 C#CCCCCCCCC(=O)COCCO 1458a_100000708028_100153394163 [0,2,0,0,0,0|0,0,2]=4 16876 B15R0.322 C#CCCNC(=O)CCCCCCCCC 11a_100000755551_100000210558 [0,2,0,0,0,0|1,0,0]=3 16877 B15R0.322 C#CCCNC(=O)CCCCCCCCC 1626a_100000755551_100000210558 [0,2,0,0,0,0|1,0,0]=3 16878 B15R0.322 C#CCCNC(=O)CCCCCCCCC 240690a_100000755551_100000210558 [0,2,0,0,0,0|1,0,0]=3 16879 B15R0.322 C#CCCNC(=O)CCCCCCCCC 527a_100000755551_100000210558 [0,2,0,0,0,0|1,0,0]=3 16880 B15R0.322 C#CCCNC(=O)CCCCCCCCO 240690a_100000755551_100000015970 [0,2,0,0,0,0|2,0,0]=4 16881 B15R0.322 C#CCCNC(=O)NCCCCCCCC 2708a_100000229939_100000755551 [0,2,0,0,0,0|2,0,0]=4 16882 B15R0.322 C#CCCNC(=O)NCCCCCCCC 2708a_100000755551_100000229939 [0,2,0,0,0,0|2,0,0]=4 16883 B15R0.322 C#CCCNC(=O)NCCCCCCCC 273464a_100000229939_100000755551 [0,2,0,0,0,0|2,0,0]=4 16884 B15R0.322 C#CCCNC(=O)NCCCCCCCC 273464a_100000755551_100000229939 [0,2,0,0,0,0|2,0,0]=4 16885 B15R0.322 C#CCCNC(=O)NCCCCCCCC 512a_100000229939_100000755551 [0,2,0,0,0,0|2,0,0]=4 16886 B15R0.322 C#CCCNC(=O)NCCCCCCCC 512a_100000755551_100000229939 [0,2,0,0,0,0|2,0,0]=4 16887 B15R0.322 C#CCCOC(C)CCCCCCCCC 34a_100011218016_100000688953 [0,2,0,0,0,0|1,0,1]=4 16888 B15R0.322 C#CCCOC(C)CCCCCCCCC 7a_100011218016_100000688953 [0,2,0,0,0,0|1,0,1]=4 16889 B15R0.322 C#CCOCC(=O)CCCCCCCCC 1458a_100011251226_100000210670 [0,2,0,0,0,0|0,0,1]=3 16890 B15R0.322 C#CCOCC(=O)CCCCCCCCO 1458a_100011251226_100000033203 [0,2,0,0,0,0|1,0,1]=4 16891 B15R0.322 C#CCOCC(=O)NCCCCCCCC 11a_100000229939_100011251226 [0,2,0,0,0,0|1,0,1]=4 16892 B15R0.322 C#CCOCC(=O)NCCCCCCCC 1626a_100000229939_100011251226 [0,2,0,0,0,0|1,0,1]=4 16893 B15R0.322 C#CCOCC(=O)NCCCCCCCC 527a_100000229939_100011251226 [0,2,0,0,0,0|1,0,1]=4 16894 B15R0.322 C/C=C/C=CC(=O)CCCCCCCCC 1458a_100000185730_100000210670 [0,2,0,0,0,0|1,0,1]=4 16895 B15R0.322 C/C=C/COC(C)CCCCCCCCC 34a_100011218016_100102629194 [0,2,0,0,0,0|1,0,1]=4 16896 B15R0.322 C/C=C/COC(C)CCCCCCCCC 7a_100011218016_100102629194 [0,2,0,0,0,0|1,0,1]=4 16897 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000210558_100000757094 [0,2,0,0,0,0|1,0,0]=3 16898 B15R0.322 C=CCCCC(=O)CCCCCCCCC 1458a_100000766728_100000210670 [0,2,0,0,0,0|1,0,0]=3 16899 B15R0.322 C=CCCCC(=O)CCCCCCCCO 1458a_100000766728_100000033203 [0,2,0,0,0,0|2,0,0]=4 16900 B15R0.322 C=CCCCC(=O)NCCCCCCCC 11a_100000229939_100000766728 [0,2,0,0,0,0|2,0,0]=4 16901 B15R0.322 C=CCCCC(=O)NCCCCCCCC 1626a_100000229939_100000766728 [0,2,0,0,0,0|2,0,0]=4 16902 B15R0.322 C=CCCCC(=O)NCCCCCCCC 240690a_100000229939_100000766728 [0,2,0,0,0,0|2,0,0]=4 16903 B15R0.322 C=CCCCC(=O)NCCCCCCCC 527a_100000229939_100000766728 [0,2,0,0,0,0|2,0,0]=4 16904 B15R0.322 C=CCCCCCCCC(=O)C=COCC 1458a_100016266692_100012355270 [0,2,0,0,0,0|0,0,2]=4 16905 B15R0.322 C=CCCCCCCCC(=O)CCOCC 1458a_100000749530_100012355270 [0,2,0,0,0,0|0,0,2]=4 16906 B15R0.322 C=CCCCCCCCC(=O)CCOCC 1458a_100011216160_100011215890 [0,2,0,0,0,0|0,0,2]=4 16907 B15R0.322 C=CCCCCCCCC(=O)COCCC 1458a_100000745993_100012355270 [0,2,0,0,0,0|0,0,2]=4 16908 B15R0.322 C=CCCCCCCCC(=O)COCCO 1458a_100000708028_100012355270 [0,2,0,0,0,0|0,0,2]=4 16909 B15R0.322 C=CCCNC(=O)CCCCCCCCC 11a_100015191253_100000210558 [0,2,0,0,0,0|1,0,0]=3 16910 B15R0.322 C=CCCNC(=O)CCCCCCCCC 1626a_100015191253_100000210558 [0,2,0,0,0,0|1,0,0]=3 16911 B15R0.322 C=CCCNC(=O)CCCCCCCCC 240690a_100015191253_100000210558 [0,2,0,0,0,0|1,0,0]=3 16912 B15R0.322 C=CCCNC(=O)CCCCCCCCC 527a_100015191253_100000210558 [0,2,0,0,0,0|1,0,0]=3 16913 B15R0.322 C=CCCNC(=O)CCCCCCCCO 240690a_100015191253_100000015970 [0,2,0,0,0,0|2,0,0]=4 16914 B15R0.322 C=CCCNC(=O)NCCCCCCCC 2708a_100000229939_100015191253 [0,2,0,0,0,0|2,0,0]=4 16915 B15R0.322 C=CCCNC(=O)NCCCCCCCC 2708a_100015191253_100000229939 [0,2,0,0,0,0|2,0,0]=4 16916 B15R0.322 C=CCCNC(=O)NCCCCCCCC 273464a_100000229939_100015191253 [0,2,0,0,0,0|2,0,0]=4 16917 B15R0.322 C=CCCNC(=O)NCCCCCCCC 273464a_100015191253_100000229939 [0,2,0,0,0,0|2,0,0]=4 16918 B15R0.322 C=CCCNC(=O)NCCCCCCCC 512a_100000229939_100015191253 [0,2,0,0,0,0|2,0,0]=4 16919 B15R0.322 C=CCCNC(=O)NCCCCCCCC 512a_100015191253_100000229939 [0,2,0,0,0,0|2,0,0]=4 16920 B15R0.322 C=CCCOC(C)CCCCCCCCC 34a_100011218016_100000754431 [0,2,0,0,0,0|1,0,1]=4 16921 B15R0.322 C=CCCOC(C)CCCCCCCCC 7a_100011218016_100000754431 [0,2,0,0,0,0|1,0,1]=4 16922 B15R0.322 C=CCNNC(=O)CCCCCCCCC 22a_100020588587_100000210558 [0,2,0,0,0,0|1,0,1]=4 16923 B15R0.322 C=CCSCC(=O)CCCCCCCCC 1458a_100000230395_100000210670 [0,2,0,0,0,0|0,1,1]=4 16924 B15R0.322 C=COCCC(=O)CCCCCCCCC 1458a_100000210558_100000039644 [0,2,0,0,0,0|0,0,2]=4 16925 B15R0.322 CC#CCNC(=O)CCCCCCCCC 11a_100000685387_100000210558 [0,2,0,0,0,0|1,0,0]=3 16926 B15R0.322 CC#CCNC(=O)CCCCCCCCC 1626a_100000685387_100000210558 [0,2,0,0,0,0|1,0,0]=3 16927 B15R0.322 CC#CCNC(=O)CCCCCCCCC 527a_100000685387_100000210558 [0,2,0,0,0,0|1,0,0]=3 16928 B15R0.322 CC#CCNC(=O)NCCCCCCCC 2708a_100000229939_100000685387 [0,2,0,0,0,0|2,0,0]=4 16929 B15R0.322 CC#CCNC(=O)NCCCCCCCC 273464a_100000229939_100000685387 [0,2,0,0,0,0|2,0,0]=4 16930 B15R0.322 CC#CCNC(=O)NCCCCCCCC 273464a_100000685387_100000229939 [0,2,0,0,0,0|2,0,0]=4 16931 B15R0.322 CC#CCNC(=O)NCCCCCCCC 512a_100000229939_100000685387 [0,2,0,0,0,0|2,0,0]=4 16932 B15R0.322 CC#CCNC(=O)NCCCCCCCC 512a_100000685387_100000229939 [0,2,0,0,0,0|2,0,0]=4 16933 B15R0.322 CC#CCOC(C)CCCCCCCCC 34a_100011218016_100000748600 [0,2,0,0,0,0|1,0,1]=4 16934 B15R0.322 CC#CCOC(C)CCCCCCCCC 7a_100011218016_100000748600 [0,2,0,0,0,0|1,0,1]=4 16935 B15R0.322 CC/C=C/CC(=O)CCCCCCCCC 1458a_100016274230_100000210670 [0,2,0,0,0,0|1,0,0]=3 16936 B15R0.322 CC/C=C/CC(=O)CCCCCCCCO 1458a_100016274230_100000033203 [0,2,0,0,0,0|2,0,0]=4 16937 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC 11a_100000229939_100016274230 [0,2,0,0,0,0|2,0,0]=4 16938 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC 1626a_100000229939_100016274230 [0,2,0,0,0,0|2,0,0]=4 16939 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC 240690a_100000229939_100016274230 [0,2,0,0,0,0|2,0,0]=4 16940 B15R0.322 CC/C=C/CC(=O)NCCCCCCCC 527a_100000229939_100016274230 [0,2,0,0,0,0|2,0,0]=4 16941 B15R0.322 CC/C=C\CC(=O)CCCCCCCCC 1458a_100000210558_100103147603 [0,2,0,0,0,0|1,0,0]=3 16942 B15R0.322 CC=CCOC(C)CCCCCCCCC 34a_100011218016_100000070051 [0,2,0,0,0,0|1,0,1]=4 16943 B15R0.322 CC=CCOC(C)CCCCCCCCC 7a_100011218016_100000070051 [0,2,0,0,0,0|1,0,1]=4 16944 B15R0.322 CCC#CCC(=O)CCCCCCCCC 1458a_100000210558_100009813939 [0,2,0,0,0,0|1,0,0]=3 16945 B15R0.322 CCC=NNC(=O)CCCCCCCCC 4a_100011221126_100000210100 [0,2,0,0,0,0|1,0,0]=3 16946 B15R0.322 CCCC#CC(=O)CCCCCCCCC 1458a_200011218047_100000210670 [0,2,0,0,0,0|1,0,0]=3 16947 B15R0.322 CCCC#CC(=O)CCCCCCCCO 1458a_200011218047_100000033203 [0,2,0,0,0,0|2,0,0]=4 16948 B15R0.322 CCCC#CC(=O)NCCCCCCCC 240690a_100000229939_200011218047 [0,2,0,0,0,0|2,0,0]=4 16949 B15R0.322 CCCC=CC(=O)CCCCCCCCC 1458a_100000212230_100000210670 [0,2,0,0,0,0|1,0,0]=3 16950 B15R0.322 CCCC=CC(=O)CCCCCCCCO 1458a_100000212230_100000033203 [0,2,0,0,0,0|2,0,0]=4 16951 B15R0.322 CCCC=CC(=O)NCCCCCCCC 11a_100000229939_100000212230 [0,2,0,0,0,0|2,0,0]=4 16952 B15R0.322 CCCC=CC(=O)NCCCCCCCC 1626a_100000229939_100000212230 [0,2,0,0,0,0|2,0,0]=4 16953 B15R0.322 CCCC=CC(=O)NCCCCCCCC 240690a_100000229939_100000212230 [0,2,0,0,0,0|2,0,0]=4 16954 B15R0.322 CCCCC#CCCCC(=O)C=COCC 1458a_100016266692_200000047210 [0,2,0,0,0,0|0,0,2]=4 16955 B15R0.322 CCCCC#CCCCC(=O)CCOCC 1458a_100000749530_200000047210 [0,2,0,0,0,0|0,0,2]=4 16956 B15R0.322 CCCCC#CCCCC(=O)COCCC 1458a_100000745993_200000047210 [0,2,0,0,0,0|0,0,2]=4 16957 B15R0.322 CCCCC#CCCCC(=O)COCCO 1458a_100000708028_200000047210 [0,2,0,0,0,0|0,0,2]=4 16958 B15R0.322 CCCCC/C=C/CCC(=O)CCOCC 1458a_200015255902_100011215890 [0,2,0,0,0,0|0,0,2]=4 16959 B15R0.322 CCCCCC(=O)CCCCCCCCO 1458a_100000212188_100000033203 [0,2,0,0,0,0|2,0,0]=4 16960 B15R0.322 CCCCCC/C=C/CC(=O)CCOCC 1458a_100020681715_100011215890 [0,2,0,0,0,0|0,0,2]=4 16961 B15R0.322 CCCCCCCC=CC(=O)CCOCC 1458a_200015332781_100011215890 [0,2,0,0,0,0|0,0,2]=4 16962 B15R0.322 CCCCCCCCCC(=NNCCC)C 4a_100000740057_100011215753 [0,2,0,0,0,0|2,0,0]=4 16963 B15R0.322 CCCCCCCCCC(=NNCCO)C 4a_100000210001_100011215753 [0,2,0,0,0,0|2,0,0]=4 16964 B15R0.322 CCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100000210670 [0,2,0,0,0,0|1,0,0]=3 16965 B15R0.322 CCCCCCCCCC(=O)C=COCC 1458a_100016266692_100000210670 [0,2,0,0,0,0|0,0,0]=2 16966 B15R0.322 CCCCCCCCCC(=O)CC#CCO 1458a_100000210558_200000047223 [0,2,0,0,0,0|1,0,1]=4 16967 B15R0.322 CCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100000210670 [0,2,0,0,0,0|1,0,0]=3 16968 B15R0.322 CCCCCCCCCC(=O)CCCC#N 1458a_100000210558_100000211468 [0,2,0,0,0,0|1,0,0]=3 16969 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000210558_100000210326 [0,2,0,0,0,0|1,0,0]=3 16970 B15R0.322 CCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210670 [0,2,0,0,0,0|1,0,0]=3 16971 B15R0.322 CCCCCCCCCC(=O)CCCCF 1458a_100000210558_100000729493 [0,2,0,0,0,0|1,0,0]=3 16972 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000210558_100000210776 [0,2,0,0,0,0|1,0,0]=3 16973 B15R0.322 CCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210670 [0,2,0,0,0,0|1,0,0]=3 16974 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000210558_100000740836 [0,2,0,0,0,0|1,0,0]=3 16975 B15R0.322 CCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210670 [0,2,0,0,0,0|1,0,0]=3 16976 B15R0.322 CCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210670 [0,2,0,0,0,0|1,0,0]=3 16977 B15R0.322 CCCCCCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210670 [0,2,0,0,0,0|2,0,0]=4 16978 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000210558_100011215890 [0,2,0,0,0,0|0,0,0]=2 16979 B15R0.322 CCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210670 [0,2,0,0,0,0|0,0,0]=2 16980 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000210558_100000757381 [0,2,0,0,0,0|0,1,0]=3 16981 B15R0.322 CCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210670 [0,2,0,0,0,0|0,1,0]=3 16982 B15R0.322 CCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210670 [0,2,0,0,0,0|0,0,0]=2 16983 B15R0.322 CCCCCCCCCC(=O)COCCO 1458a_100000708028_100000210670 [0,2,0,0,0,0|0,0,0]=2 16984 B15R0.322 CCCCCCCCCC(=O)CSCC#N 1458a_100000150266_100000210670 [0,2,0,0,0,0|0,1,1]=4 16985 B15R0.322 CCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210670 [0,2,0,0,0,0|0,1,0]=3 16986 B15R0.322 CCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210558 [0,2,0,0,0,0|1,0,0]=3 16987 B15R0.322 CCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210558 [0,2,0,0,0,0|1,0,0]=3 16988 B15R0.322 CCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210558 [0,2,0,0,0,0|1,0,0]=3 16989 B15R0.322 CCCCCCCCCC(=O)NCCC#N 527a_100000720768_100000210558 [0,2,0,0,0,0|1,0,0]=3 16990 B15R0.322 CCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210558 [0,2,0,0,0,0|1,0,0]=3 16991 B15R0.322 CCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210558 [0,2,0,0,0,0|1,0,0]=3 16992 B15R0.322 CCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210558 [0,2,0,0,0,0|1,0,0]=3 16993 B15R0.322 CCCCCCCCCC(=O)NCCCC 527a_100000102301_100000210558 [0,2,0,0,0,0|1,0,0]=3 16994 B15R0.322 CCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210558 [0,2,0,0,0,0|1,0,0]=3 16995 B15R0.322 CCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210558 [0,2,0,0,0,0|1,0,0]=3 16996 B15R0.322 CCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210558 [0,2,0,0,0,0|1,0,0]=3 16997 B15R0.322 CCCCCCCCCC(=O)NCCCF 527a_100015189416_100000210558 [0,2,0,0,0,0|1,0,0]=3 16998 B15R0.322 CCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210558 [0,2,0,0,0,0|1,0,0]=3 16999 B15R0.322 CCCCCCCCCC(=O)NCCCO 527a_100000182051_100000210558 [0,2,0,0,0,0|1,0,0]=3 17000 B15R0.322 CCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210558 [0,2,0,0,0,0|1,0,0]=3 17001 B15R0.322 CCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210558 [0,2,0,0,0,0|1,0,0]=3 17002 B15R0.322 CCCCCCCCCC(=O)NCCOC 527a_100000209980_100000210558 [0,2,0,0,0,0|1,0,0]=3 17003 B15R0.322 CCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210558 [0,2,0,0,0,0|1,0,0]=3 17004 B15R0.322 CCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210558 [0,2,0,0,0,0|1,0,0]=3 17005 B15R0.322 CCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210558 [0,2,0,0,0,0|1,0,0]=3 17006 B15R0.322 CCCCCCCCCC(=O)NCCSC 527a_100020590264_100000210558 [0,2,0,0,0,0|1,0,0]=3 17007 B15R0.322 CCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210558 [0,2,0,0,0,0|1,0,0]=3 17008 B15R0.322 CCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210558 [0,2,0,0,0,0|1,0,0]=3 17009 B15R0.322 CCCCCCCCCC(=O)OCNCC 2230a_100015525214_200010990708 [0,2,0,0,0,0|0,0,0]=2 17010 B15R0.322 CCCCCCCCCC(=O)OCOCC 34a_100121572206_200010990708 [0,2,0,0,0,0|0,0,0]=2 17011 B15R0.322 CCCCCCCCCC(=O)OCSCC 62a_100000210202_200010990708 [0,2,0,0,0,0|0,0,0]=2 17012 B15R0.322 CCCCCCCCCC(=O)OCSCF 62a_100015361967_200010990708 [0,2,0,0,0,0|0,0,0]=2 17013 B15R0.322 CCCCCCCCCC(C)OCCC#N 7a_100011218016_100000184422 [0,2,0,0,0,0|1,0,1]=4 17014 B15R0.322 CCCCCCCCCC(C)OCCCC 34a_100011218016_100000210210 [0,2,0,0,0,0|1,0,1]=4 17015 B15R0.322 CCCCCCCCCC(C)OCCCC 7a_100011218016_100000210211 [0,2,0,0,0,0|1,0,1]=4 17016 B15R0.322 CCCCCCCCCC(C)OCCCF 34a_100011218016_100011934791 [0,2,0,0,0,0|1,0,1]=4 17017 B15R0.322 CCCCCCCCCC(C)OCCCF 7a_100011218016_100011934791 [0,2,0,0,0,0|1,0,1]=4 17018 B15R0.322 CCCCCCCCCC(C)OCCCO 34a_100011218016_100000230001 [0,2,0,0,0,0|1,0,1]=4 17019 B15R0.322 CCCCCCCCCC(C)OCCCO 7a_100011218016_100011215043 [0,2,0,0,0,0|1,0,1]=4 17020 B15R0.322 CCCCCCCCCC(C)OCCOC 34a_100011218016_100011201679 [0,2,0,0,0,0|1,0,1]=4 17021 B15R0.322 CCCCCCCCCC(C)OCCOC 7a_100011218016_100000233755 [0,2,0,0,0,0|1,0,1]=4 17022 B15R0.322 CCCCCCCCCC(C)OCCSC 34a_100011218016_100000212216 [0,2,0,0,0,0|1,0,1]=4 17023 B15R0.322 CCCCCCCCCC(C)OCCSC 7a_100011218016_100000212216 [0,2,0,0,0,0|1,0,1]=4 17024 B15R0.322 CCCCCCCCCN(C)CCOCC 2230a_100000232482_100011215890 [0,2,0,0,0,0|2,0,0]=4 17025 B15R0.322 CCCCCCCCCN(C)CCOCC 269982a_100000232482_100011215890 [0,2,0,0,0,0|2,0,0]=4 17026 B15R0.322 CCCCCCCCNC(=O)C=CCOC 11a_100000229939_100016285016 [0,2,0,0,0,0|2,0,0]=4 17027 B15R0.322 CCCCCCCCNC(=O)C=CCOC 1626a_100000229939_100016285016 [0,2,0,0,0,0|2,0,0]=4 17028 B15R0.322 CCCCCCCCNC(=O)C=CCOC 240690a_100000229939_100016285016 [0,2,0,0,0,0|2,0,0]=4 17029 B15R0.322 CCCCCCCCNC(=O)C=COCC 11a_100000229939_100016266692 [0,2,0,0,0,0|1,0,0]=3 17030 B15R0.322 CCCCCCCCNC(=O)C=COCC 1626a_100000229939_100016266692 [0,2,0,0,0,0|1,0,0]=3 17031 B15R0.322 CCCCCCCCNC(=O)C=COCC 240690a_100000229939_100016266692 [0,2,0,0,0,0|1,0,0]=3 17032 B15R0.322 CCCCCCCCNC(=O)CCCC#N 11a_100000229939_100000075515 [0,2,0,0,0,0|2,0,0]=4 17033 B15R0.322 CCCCCCCCNC(=O)CCCC#N 1626a_100000229939_100000075515 [0,2,0,0,0,0|2,0,0]=4 17034 B15R0.322 CCCCCCCCNC(=O)CCCC#N 240690a_100000229939_100000075515 [0,2,0,0,0,0|2,0,0]=4 17035 B15R0.322 CCCCCCCCNC(=O)CCCC#N 527a_100000229939_100000075515 [0,2,0,0,0,0|2,0,0]=4 17036 B15R0.322 CCCCCCCCNC(=O)CCCCC 11a_100000229939_100000212188 [0,2,0,0,0,0|2,0,0]=4 17037 B15R0.322 CCCCCCCCNC(=O)CCCCC 1626a_100000229939_100000212188 [0,2,0,0,0,0|2,0,0]=4 17038 B15R0.322 CCCCCCCCNC(=O)CCCCC 240690a_100000229939_100000212188 [0,2,0,0,0,0|2,0,0]=4 17039 B15R0.322 CCCCCCCCNC(=O)CCCCC 527a_100000229939_100000212188 [0,2,0,0,0,0|2,0,0]=4 17040 B15R0.322 CCCCCCCCNC(=O)CCCCO 1626a_100000229939_100000695505 [0,2,0,0,0,0|2,0,0]=4 17041 B15R0.322 CCCCCCCCNC(=O)CCCOC 11a_100000229939_100000741012 [0,2,0,0,0,0|2,0,0]=4 17042 B15R0.322 CCCCCCCCNC(=O)CCCOC 1626a_100000229939_100000741012 [0,2,0,0,0,0|2,0,0]=4 17043 B15R0.322 CCCCCCCCNC(=O)CCCOC 240690a_100000229939_100000741012 [0,2,0,0,0,0|2,0,0]=4 17044 B15R0.322 CCCCCCCCNC(=O)CCCOC 527a_100000229939_100000741012 [0,2,0,0,0,0|2,0,0]=4 17045 B15R0.322 CCCCCCCCNC(=O)CCCSC 11a_100000229939_100000173376 [0,2,0,0,0,0|2,0,0]=4 17046 B15R0.322 CCCCCCCCNC(=O)CCCSC 1626a_100000229939_100000173376 [0,2,0,0,0,0|2,0,0]=4 17047 B15R0.322 CCCCCCCCNC(=O)CCCSC 240690a_100000229939_100000173376 [0,2,0,0,0,0|2,0,0]=4 17048 B15R0.322 CCCCCCCCNC(=O)CCCSC 527a_100000229939_100000173376 [0,2,0,0,0,0|2,0,0]=4 17049 B15R0.322 CCCCCCCCNC(=O)CCOCC 11a_100000229939_100000749530 [0,2,0,0,0,0|1,0,0]=3 17050 B15R0.322 CCCCCCCCNC(=O)CCOCC 1626a_100000229939_100000749530 [0,2,0,0,0,0|1,0,0]=3 17051 B15R0.322 CCCCCCCCNC(=O)CCOCC 240690a_100000229939_100000749530 [0,2,0,0,0,0|1,0,0]=3 17052 B15R0.322 CCCCCCCCNC(=O)CCOCC 527a_100000229939_100000749530 [0,2,0,0,0,0|1,0,0]=3 17053 B15R0.322 CCCCCCCCNC(=O)CCSCC 11a_100000229939_100000230768 [0,2,0,0,0,0|1,1,0]=4 17054 B15R0.322 CCCCCCCCNC(=O)CCSCC 1626a_100000229939_100000230768 [0,2,0,0,0,0|1,1,0]=4 17055 B15R0.322 CCCCCCCCNC(=O)CCSCC 240690a_100000229939_100000230768 [0,2,0,0,0,0|1,1,0]=4 17056 B15R0.322 CCCCCCCCNC(=O)CCSCC 527a_100000229939_100000230768 [0,2,0,0,0,0|1,1,0]=4 17057 B15R0.322 CCCCCCCCNC(=O)COCCC 11a_100000229939_100000745993 [0,2,0,0,0,0|1,0,0]=3 17058 B15R0.322 CCCCCCCCNC(=O)COCCC 1626a_100000229939_100000745993 [0,2,0,0,0,0|1,0,0]=3 17059 B15R0.322 CCCCCCCCNC(=O)COCCC 240690a_100000229939_100000745993 [0,2,0,0,0,0|1,0,0]=3 17060 B15R0.322 CCCCCCCCNC(=O)COCCC 527a_100000229939_100000745993 [0,2,0,0,0,0|1,0,0]=3 17061 B15R0.322 CCCCCCCCNC(=O)COCCO 1626a_100000229939_100000708028 [0,2,0,0,0,0|1,0,0]=3 17062 B15R0.322 CCCCCCCCNC(=O)COCCO 240690a_100000229939_100000708028 [0,2,0,0,0,0|1,0,0]=3 17063 B15R0.322 CCCCCCCCNC(=O)CSCCC 11a_100000229939_100000217233 [0,2,0,0,0,0|1,1,0]=4 17064 B15R0.322 CCCCCCCCNC(=O)CSCCC 1626a_100000229939_100000217233 [0,2,0,0,0,0|1,1,0]=4 17065 B15R0.322 CCCCCCCCNC(=O)CSCCC 240690a_100000229939_100000217233 [0,2,0,0,0,0|1,1,0]=4 17066 B15R0.322 CCCCCCCCNC(=O)CSCCC 527a_100000229939_100000217233 [0,2,0,0,0,0|1,1,0]=4 17067 B15R0.322 CCCCCCCCNC(=O)NCCC#N 2708a_100000229939_100000720768 [0,2,0,0,0,0|2,0,0]=4 17068 B15R0.322 CCCCCCCCNC(=O)NCCC#N 2708a_100000720768_100000229939 [0,2,0,0,0,0|2,0,0]=4 17069 B15R0.322 CCCCCCCCNC(=O)NCCC#N 273464a_100000229939_100000720768 [0,2,0,0,0,0|2,0,0]=4 17070 B15R0.322 CCCCCCCCNC(=O)NCCC#N 273464a_100000720768_100000229939 [0,2,0,0,0,0|2,0,0]=4 17071 B15R0.322 CCCCCCCCNC(=O)NCCC#N 512a_100000229939_100000720768 [0,2,0,0,0,0|2,0,0]=4 17072 B15R0.322 CCCCCCCCNC(=O)NCCC#N 512a_100000720768_100000229939 [0,2,0,0,0,0|2,0,0]=4 17073 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000229939 [0,2,0,0,0,0|2,0,0]=4 17074 B15R0.322 CCCCCCCCNC(=O)NCCCC 2708a_100000229939_100000102301 [0,2,0,0,0,0|2,0,0]=4 17075 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000229939 [0,2,0,0,0,0|2,0,0]=4 17076 B15R0.322 CCCCCCCCNC(=O)NCCCC 273464a_100000229939_100000102301 [0,2,0,0,0,0|2,0,0]=4 17077 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000102301_100000229939 [0,2,0,0,0,0|2,0,0]=4 17078 B15R0.322 CCCCCCCCNC(=O)NCCCC 512a_100000229939_100000102301 [0,2,0,0,0,0|2,0,0]=4 17079 B15R0.322 CCCCCCCCNC(=O)NCCCF 2708a_100000229939_100015189416 [0,2,0,0,0,0|2,0,0]=4 17080 B15R0.322 CCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000229939 [0,2,0,0,0,0|2,0,0]=4 17081 B15R0.322 CCCCCCCCNC(=O)NCCCF 273464a_100000229939_100015189416 [0,2,0,0,0,0|2,0,0]=4 17082 B15R0.322 CCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000229939 [0,2,0,0,0,0|2,0,0]=4 17083 B15R0.322 CCCCCCCCNC(=O)NCCCF 512a_100000229939_100015189416 [0,2,0,0,0,0|2,0,0]=4 17084 B15R0.322 CCCCCCCCNC(=O)NCCCF 512a_100015189416_100000229939 [0,2,0,0,0,0|2,0,0]=4 17085 B15R0.322 CCCCCCCCNC(=O)NCCCO 2708a_100000229939_100000182051 [0,2,0,0,0,0|2,0,0]=4 17086 B15R0.322 CCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000229939 [0,2,0,0,0,0|2,0,0]=4 17087 B15R0.322 CCCCCCCCNC(=O)NCCCO 273464a_100000229939_100000182051 [0,2,0,0,0,0|2,0,0]=4 17088 B15R0.322 CCCCCCCCNC(=O)NCCCO 512a_100000229939_100000182051 [0,2,0,0,0,0|2,0,0]=4 17089 B15R0.322 CCCCCCCCNC(=O)NCCOC 2708a_100000229939_100000209980 [0,2,0,0,0,0|2,0,0]=4 17090 B15R0.322 CCCCCCCCNC(=O)NCCOC 273464a_100000209980_100000229939 [0,2,0,0,0,0|2,0,0]=4 17091 B15R0.322 CCCCCCCCNC(=O)NCCOC 273464a_100000229939_100000209980 [0,2,0,0,0,0|2,0,0]=4 17092 B15R0.322 CCCCCCCCNC(=O)NCCSC 2708a_100000229939_100020590264 [0,2,0,0,0,0|2,0,0]=4 17093 B15R0.322 CCCCCCCCNC(=O)NCCSC 2708a_100020590264_100000229939 [0,2,0,0,0,0|2,0,0]=4 17094 B15R0.322 CCCCCCCCNC(=O)NCCSC 273464a_100000229939_100020590264 [0,2,0,0,0,0|2,0,0]=4 17095 B15R0.322 CCCCCCCCNC(=O)NCCSC 273464a_100020590264_100000229939 [0,2,0,0,0,0|2,0,0]=4 17096 B15R0.322 CCCCCCCCNC(=O)NCCSC 512a_100000229939_100020590264 [0,2,0,0,0,0|2,0,0]=4 17097 B15R0.322 CCCCCCCCNC(=O)NCCSC 512a_100020590264_100000229939 [0,2,0,0,0,0|2,0,0]=4 17098 B15R0.322 CCCCCCCCNC(=O)NNCCC 273464a_100000229939_100000740057 [0,2,0,0,0,0|2,0,0]=4 17099 B15R0.322 CCCCCCCCNC(=O)NNCCC 512a_100000229939_100000740057 [0,2,0,0,0,0|2,0,0]=4 17100 B15R0.322 CCCCCCCCNC(=O)NNCCC 512a_100000740057_100000229939 [0,2,0,0,0,0|2,0,0]=4 17101 B15R0.322 CCCCCCCCNC(=O)NNCCO 273464a_100000229939_100000210001 [0,2,0,0,0,0|2,0,0]=4 17102 B15R0.322 CCCCCCCCNC(=O)NNCCO 512a_100000229939_100000210001 [0,2,0,0,0,0|2,0,0]=4 17103 B15R0.322 CCCCCCCNCC(=O)CCCCC 2230a_100000229938_200012276598 [0,2,0,0,0,0|2,0,0]=4 17104 B15R0.322 CCCCCCCNCC(=O)NCCCC 2230a_100000229938_100000182744 [0,2,0,0,0,0|2,0,0]=4 17105 B15R0.322 CCCCCCCNCC(=O)NCCOC 2230a_100000229938_100000183275 [0,2,0,0,0,0|2,0,0]=4 17106 B15R0.322 CCCCCCCNCC(=O)NCCOC 2230a_100000754632_100000210681 [0,2,0,0,0,0|2,0,0]=4 17107 B15R0.322 CCCCCCCNCC(=O)OCCCC 2230a_100000229938_100000211628 [0,2,0,0,0,0|1,0,0]=3 17108 B15R0.322 CCCCCCCNCC(=O)OCCOC 2230a_100000229938_200000040189 [0,2,0,0,0,0|1,0,0]=3 17109 B15R0.322 CCCCCCCOCC(=O)CCCCC 34a_100000210272_200012276598 [0,2,0,0,0,0|2,0,0]=4 17110 B15R0.322 CCCCCCCOCC(=O)CCCCC 7a_100000210272_200012276598 [0,2,0,0,0,0|2,0,0]=4 17111 B15R0.322 CCCCCCCOCC(=O)NCCCC 34a_100000210272_100000182744 [0,2,0,0,0,0|2,0,0]=4 17112 B15R0.322 CCCCCCCOCC(=O)NCCCC 7a_100000210272_100000182744 [0,2,0,0,0,0|2,0,0]=4 17113 B15R0.322 CCCCCCCOCC(=O)NCCOC 34a_100000210272_100000183275 [0,2,0,0,0,0|2,0,0]=4 17114 B15R0.322 CCCCCCCOCC(=O)NCCOC 7a_100000210272_100000183275 [0,2,0,0,0,0|2,0,0]=4 17115 B15R0.322 CCCCCCCOCC(=O)OCCCC 34a_100000210272_100000211628 [0,2,0,0,0,0|1,0,0]=3 17116 B15R0.322 CCCCCCCOCC(=O)OCCCC 7a_100000210272_100000211628 [0,2,0,0,0,0|1,0,0]=3 17117 B15R0.322 CCCCCCCOCC(=O)OCCOC 34a_100000210272_200000040189 [0,2,0,0,0,0|1,0,0]=3 17118 B15R0.322 CCCCCCCOCC(=O)OCCOC 7a_100000210272_200000040189 [0,2,0,0,0,0|1,0,0]=3 17119 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_100000210614_200012276598 [0,2,0,0,0,0|2,0,0]=4 17120 B15R0.322 CCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210316 [0,2,0,0,0,0|2,0,0]=4 17121 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210316 [0,2,0,0,0,0|2,0,0]=4 17122 B15R0.322 CCCCCCCSCC(=O)NCCCC 62a_100000210614_100000182744 [0,2,0,0,0,0|2,0,0]=4 17123 B15R0.322 CCCCCCCSCC(=O)NCCOC 62a_100000183275_100000210316 [0,2,0,0,0,0|2,0,0]=4 17124 B15R0.322 CCCCCCCSCC(=O)NCCOC 62a_100000210614_100000183275 [0,2,0,0,0,0|2,0,0]=4 17125 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000210614_100000211628 [0,2,0,0,0,0|1,0,0]=3 17126 B15R0.322 CCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210316 [0,2,0,0,0,0|1,0,0]=3 17127 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_100000210614_200000040189 [0,2,0,0,0,0|1,0,0]=3 17128 B15R0.322 CCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210316 [0,2,0,0,0,0|1,0,0]=3 17129 B15R0.322 CCCCNC(=O)CCCCCCCCO 240690a_100000102301_100000015970 [0,2,0,0,0,0|2,0,0]=4 17130 B15R0.322 CCCCOC(=O)CNCCCCCCO 2230a_100000686447_100000211628 [0,2,0,0,0,0|2,0,0]=4 17131 B15R0.322 CCCCOC(=O)CNCCCCCCO 34a_100000686447_100000211628 [0,2,0,0,0,0|2,0,0]=4 17132 B15R0.322 CCCCOC(=O)CNCCCCCOC 2230a_100000747528_100000211628 [0,2,0,0,0,0|2,0,0]=4 17133 B15R0.322 CCCCOC(=O)CNCCCCCOC 34a_100000747528_100000211628 [0,2,0,0,0,0|2,0,0]=4 17134 B15R0.322 CCCCOC(=O)CNCCCOCCC 2230a_100011217757_100000211628 [0,2,0,0,0,0|2,0,0]=4 17135 B15R0.322 CCCCOC(=O)CNCCCOCCC 34a_100011217757_100000211628 [0,2,0,0,0,0|2,0,0]=4 17136 B15R0.322 CCCCOC(=O)CNCCSCCCC 2230a_100025743550_100000211628 [0,2,0,0,0,0|2,0,0]=4 17137 B15R0.322 CCCCOC(=O)COCCCCCCBr 34a_100011215345_100000211628 [0,2,0,0,0,0|2,0,0]=4 17138 B15R0.322 CCCCOC(=O)COCCCCCCBr 7a_100011215345_100000211628 [0,2,0,0,0,0|2,0,0]=4 17139 B15R0.322 CCCCOC(=O)COCCCCCCCl 34a_100000766143_100000211628 [0,2,0,0,0,0|2,0,0]=4 17140 B15R0.322 CCCCOC(=O)COCCCCCCCl 7a_100000766143_100000211628 [0,2,0,0,0,0|2,0,0]=4 17141 B15R0.322 CCCCOC(=O)COCCCCCCF 34a_100000732779_100000211628 [0,2,0,0,0,0|2,0,0]=4 17142 B15R0.322 CCCCOC(=O)COCCCCCCF 7a_100000732779_100000211628 [0,2,0,0,0,0|2,0,0]=4 17143 B15R0.322 CCCCOC(=O)COCCCCCCN 34a_100000686447_100000211628 [0,2,0,0,0,0|2,0,0]=4 17144 B15R0.322 CCCCOC(=O)COCCCCCNC 34a_100000722520_100000211628 [0,2,0,0,0,0|2,0,0]=4 17145 B15R0.322 CCCCOC(=O)COCCSCCCC 34a_200000230436_100000211628 [0,2,0,0,0,0|2,0,0]=4 17146 B15R0.322 CCCCOC(=O)COCCSCCCC 7a_200000230436_100000211628 [0,2,0,0,0,0|2,0,0]=4 17147 B15R0.322 CCCCOC(=O)CSCCCCCCF 62a_100000211628_100015922095 [0,2,0,0,0,0|2,0,0]=4 17148 B15R0.322 CCCCOC(=O)CSCCCCCCF 62a_100015922095_100000211628 [0,2,0,0,0,0|2,0,0]=4 17149 B15R0.322 CCCCOC(=O)CSCCCCCCO 62a_100000211628_100000766143 [0,2,0,0,0,0|2,0,0]=4 17150 B15R0.322 CCCCOC(=O)CSCCCCCCO 62a_100000766143_100000211628 [0,2,0,0,0,0|2,0,0]=4 17151 B15R0.322 CCCCOCCCNC(=O)C=COCC 1626a_200000211371_100016266692 [0,2,0,0,0,0|2,0,0]=4 17152 B15R0.322 CCCCOCCCNC(=O)C=COCC 240690a_200000211371_100016266692 [0,2,0,0,0,0|2,0,0]=4 17153 B15R0.322 CCCCOCCCNC(=O)CCOCC 1626a_200000211371_100000749530 [0,2,0,0,0,0|2,0,0]=4 17154 B15R0.322 CCCCOCCCNC(=O)CCOCC 240690a_200000211371_100000749530 [0,2,0,0,0,0|2,0,0]=4 17155 B15R0.322 CCCCOCCCNC(=O)CCOCC 527a_200000211371_100000749530 [0,2,0,0,0,0|2,0,0]=4 17156 B15R0.322 CCCCOCCCNC(=O)COCCC 1626a_200000211371_100000745993 [0,2,0,0,0,0|2,0,0]=4 17157 B15R0.322 CCCCOCCCNC(=O)COCCC 240690a_200000211371_100000745993 [0,2,0,0,0,0|2,0,0]=4 17158 B15R0.322 CCCCOCCCNC(=O)COCCC 527a_200000211371_100000745993 [0,2,0,0,0,0|2,0,0]=4 17159 B15R0.322 CCCCOCCCNC(=O)COCCO 1626a_200000211371_100000708028 [0,2,0,0,0,0|2,0,0]=4 17160 B15R0.322 CCCCOCCCNC(=O)COCCO 240690a_200000211371_100000708028 [0,2,0,0,0,0|2,0,0]=4 17161 B15R0.322 CCCCOCCOCC(=O)CCOCC 1458a_100011216887_100011215890 [0,2,0,0,0,0|2,0,0]=4 17162 B15R0.322 CCCCOCCOCC(=O)OCCCC 34a_100000210238_100000211628 [0,2,0,0,0,0|2,0,0]=4 17163 B15R0.322 CCCCOCCOCC(=O)OCCCC 7a_100000210238_100000211628 [0,2,0,0,0,0|2,0,0]=4 17164 B15R0.322 CCCCOCCOCC(=O)OCCOC 34a_100000210238_200000040189 [0,2,0,0,0,0|2,0,0]=4 17165 B15R0.322 CCCCOCCOCC(=O)OCCOC 7a_100000210238_200000040189 [0,2,0,0,0,0|2,0,0]=4 17166 B15R0.322 CCCCOCCSCC(=O)OCCCC 62a_100000211628_100000743108 [0,2,0,0,0,0|2,0,0]=4 17167 B15R0.322 CCCCOCCSCC(=O)OCCCC 62a_100000743108_100000211628 [0,2,0,0,0,0|2,0,0]=4 17168 B15R0.322 CCCCOCCSCC(=O)OCCOC 62a_100000743108_200000040189 [0,2,0,0,0,0|2,0,0]=4 17169 B15R0.322 CCCCOCCSCC(=O)OCCOC 62a_200000040189_100000743108 [0,2,0,0,0,0|2,0,0]=4 17170 B15R0.322 CCCCSCCNCC(=O)OCCOC 2230a_100025743550_200000040189 [0,2,0,0,0,0|2,0,0]=4 17171 B15R0.322 CCCCSCCOCC(=O)OCCOC 34a_200000230436_200000040189 [0,2,0,0,0,0|2,0,0]=4 17172 B15R0.322 CCCCSCCOCC(=O)OCCOC 7a_200000230436_200000040189 [0,2,0,0,0,0|2,0,0]=4 17173 B15R0.322 CCCNNC(=O)CCCCCCCCO 22a_100000740057_100000015970 [0,2,0,0,0,0|2,0,0]=4 17174 B15R0.322 CCCOCC(=O)CCCCCCCCO 1458a_100000745993_100000033203 [0,2,0,0,0,0|1,0,0]=3 17175 B15R0.322 CCCOCC(=O)NCCCCCCCO 240690a_100011996573_100000745993 [0,2,0,0,0,0|2,0,0]=4 17176 B15R0.322 CCCOCCCNCC(=O)OCCOC 2230a_100011217757_200000040189 [0,2,0,0,0,0|2,0,0]=4 17177 B15R0.322 CCCOCCCNCC(=O)OCCOC 34a_100011217757_200000040189 [0,2,0,0,0,0|2,0,0]=4 17178 B15R0.322 CCCSCC(=O)CCCCCCCCO 1458a_100000217233_100000033203 [0,2,0,0,0,0|1,1,0]=4 17179 B15R0.322 CCOC=CC(=O)CCCCCCCCO 1458a_100016266692_100000033203 [0,2,0,0,0,0|1,0,0]=3 17180 B15R0.322 CCOC=CC(=O)NCCCCCCCO 240690a_100011996573_100016266692 [0,2,0,0,0,0|2,0,0]=4 17181 B15R0.322 CCOCCC(=O)CCCCCCCCO 1458a_100000749530_100000033203 [0,2,0,0,0,0|1,0,0]=3 17182 B15R0.322 CCOCCC(=O)NCCCCCCCO 240690a_100011996573_100000749530 [0,2,0,0,0,0|2,0,0]=4 17183 B15R0.322 CCSCCC(=O)CCCCCCCCO 1458a_100000230768_100000033203 [0,2,0,0,0,0|1,1,0]=4 17184 B15R0.322 CNCCCCCOCC(=O)OCCOC 34a_100000722520_200000040189 [0,2,0,0,0,0|2,0,0]=4 17185 B15R0.322 COCC=CC(=O)CCCCCCCCO 1458a_100016285016_100000033203 [0,2,0,0,0,0|2,0,0]=4 17186 B15R0.322 COCCCC(=O)CCCCCCCCO 1458a_100000741012_100000033203 [0,2,0,0,0,0|2,0,0]=4 17187 B15R0.322 COCCCCCNCC(=O)OCCOC 2230a_100000747528_200000040189 [0,2,0,0,0,0|2,0,0]=4 17188 B15R0.322 COCCCCCNCC(=O)OCCOC 34a_100000747528_200000040189 [0,2,0,0,0,0|2,0,0]=4 17189 B15R0.322 COCCNC(=O)CCCCCCCCO 240690a_100000209980_100000015970 [0,2,0,0,0,0|2,0,0]=4 17190 B15R0.322 COCCOC(=O)CNCCCCCCO 2230a_100000686447_200000040189 [0,2,0,0,0,0|2,0,0]=4 17191 B15R0.322 COCCOC(=O)CNCCCCCCO 34a_100000686447_200000040189 [0,2,0,0,0,0|2,0,0]=4 17192 B15R0.322 COCCOC(=O)COCCCCCCBr 34a_100011215345_200000040189 [0,2,0,0,0,0|2,0,0]=4 17193 B15R0.322 COCCOC(=O)COCCCCCCBr 7a_100011215345_200000040189 [0,2,0,0,0,0|2,0,0]=4 17194 B15R0.322 COCCOC(=O)COCCCCCCCl 34a_100000766143_200000040189 [0,2,0,0,0,0|2,0,0]=4 17195 B15R0.322 COCCOC(=O)COCCCCCCCl 7a_100000766143_200000040189 [0,2,0,0,0,0|2,0,0]=4 17196 B15R0.322 COCCOC(=O)COCCCCCCF 34a_100000732779_200000040189 [0,2,0,0,0,0|2,0,0]=4 17197 B15R0.322 COCCOC(=O)COCCCCCCF 7a_100000732779_200000040189 [0,2,0,0,0,0|2,0,0]=4 17198 B15R0.322 COCCOC(=O)COCCCCCCN 34a_100000686447_200000040189 [0,2,0,0,0,0|2,0,0]=4 17199 B15R0.322 COCCOC(=O)CSCCCCCCF 62a_100015922095_200000040189 [0,2,0,0,0,0|2,0,0]=4 17200 B15R0.322 COCCOC(=O)CSCCCCCCF 62a_200000040189_100015922095 [0,2,0,0,0,0|2,0,0]=4 17201 B15R0.322 COCCOC(=O)CSCCCCCCO 62a_100000766143_200000040189 [0,2,0,0,0,0|2,0,0]=4 17202 B15R0.322 COCCOC(=O)CSCCCCCCO 62a_200000040189_100000766143 [0,2,0,0,0,0|2,0,0]=4 17203 B15R0.322 CSCCCC(=O)CCCCCCCCO 1458a_100000173376_100000033203 [0,2,0,0,0,0|2,0,0]=4 17204 B15R0.322 CSCCNC(=O)CCCCCCCCO 240690a_100020590264_100000015970 [0,2,0,0,0,0|2,0,0]=4 17205 B15R0.322 N#CCCCC(=O)CCCCCCCCO 1458a_100000075515_100000033203 [0,2,0,0,0,0|2,0,0]=4 17206 B15R0.322 N#CCCNC(=O)CCCCCCCCO 240690a_100000720768_100000015970 [0,2,0,0,0,0|2,0,0]=4 17207 B15R0.322 O=C(CCCCCCCCO)COCCO 1458a_100000708028_100000033203 [0,2,0,0,0,0|1,0,0]=3 17208 B15R0.322 O=C(CCCCCCCCO)NCCCF 240690a_100015189416_100000015970 [0,2,0,0,0,0|2,0,0]=4 17209 B15R0.322 O=C(CCCCCCCCO)NCCCO 240690a_100000182051_100000015970 [0,2,0,0,0,0|2,0,0]=4 17210 B15R0.322 O=C(CCCCCCCCO)NNCCO 22a_100000210001_100000015970 [0,2,0,0,0,0|2,0,0]=4 17211 B15R0.322 O=C(CCCCO)CCCCCCCCO 1458a_100000695505_100000033203 [0,2,0,0,0,0|2,0,0]=4 17212 B15R0.322 O=C(COCCO)NCCCCCCCO 240690a_100011996573_100000708028 [0,2,0,0,0,0|2,0,0]=4 17213 B15R0.3180 C#CCNC(=O)CCCC(O)CCCCC 1626a_100000212058_100020618878 [0,2,0,0,0,0|1,0,1]=4 17214 B15R0.3180 C#CCNC(=O)CCCC(O)CCCCC 240690a_100000212058_100020618878 [0,2,0,0,0,0|1,0,1]=4 17215 B15R0.3180 C#CCNC(=O)CCCC(O)CCCCC 527a_100000212058_100020618878 [0,2,0,0,0,0|1,0,1]=4 17216 B15R0.3180 C=CCNC(=O)CCCC(O)CCCCC 1626a_100020586998_100020618878 [0,2,0,0,0,0|1,0,1]=4 17217 B15R0.3180 C=CCNC(=O)CCCC(O)CCCCC 240690a_100020586998_100020618878 [0,2,0,0,0,0|1,0,1]=4 17218 B15R0.3180 C=CCNC(=O)CCCC(O)CCCCC 527a_100020586998_100020618878 [0,2,0,0,0,0|1,0,1]=4 17219 B15R0.3180 CCCCCC(=O)CCCC(=O)NCCC 1458a_100000199544_100000210326 [0,2,0,0,0,0|1,0,1]=4 17220 B15R0.3180 CCCCCC(=O)CCCC(=O)NCCC 1458a_100000212188_100011194427 [0,2,0,0,0,0|1,0,1]=4 17221 B15R0.3180 CCCCCC(=O)CSCC(=O)OCCC 62a_200011215008_200012276598 [0,2,0,0,0,0|1,0,1]=4 17222 B15R0.3180 CCCCCC(=O)CSCC(=O)OCCC 62a_200012276598_200011215008 [0,2,0,0,0,0|1,0,1]=4 17223 B15R0.3180 CCCCCC(C)OCOC(=O)OCCC 34a_100011215632_200000139673 [0,2,0,0,0,0|2,0,0]=4 17224 B15R0.3180 CCCCCC(C)OCOC(=O)OCCC 7a_100011215632_200000139673 [0,2,0,0,0,0|2,0,0]=4 17225 B15R0.3180 CCCCCC(C)SCOC(=O)OCCC 62a_200011218191_200000139673 [0,2,0,0,0,0|2,0,0]=4 17226 B15R0.3180 CCCCCC(O)CCCC(=O)NCC#N 1626a_100000734998_100020618878 [0,2,0,0,0,0|1,0,1]=4 17227 B15R0.3180 CCCCCC(O)CCCC(=O)NCC#N 527a_100000734998_100020618878 [0,2,0,0,0,0|1,0,1]=4 17228 B15R0.3180 CCCCCC(O)CCCC(=O)NCCC 1626a_100020643023_100020618878 [0,2,0,0,0,0|1,0,0]=3 17229 B15R0.3180 CCCCCC(O)CCCC(=O)NCCC 240690a_100020643023_100020618878 [0,2,0,0,0,0|1,0,0]=3 17230 B15R0.3180 CCCCCC(O)CCCC(=O)NCCC 527a_100020643023_100020618878 [0,2,0,0,0,0|1,0,0]=3 17231 B15R0.3180 CCCCCC(O)CCCC(=O)NCCF 1626a_100000724931_100020618878 [0,2,0,0,0,0|1,0,0]=3 17232 B15R0.3180 CCCCCC(O)CCCC(=O)NCCF 240690a_100000724931_100020618878 [0,2,0,0,0,0|1,0,0]=3 17233 B15R0.3180 CCCCCC(O)CCCC(=O)NCCF 527a_100000724931_100020618878 [0,2,0,0,0,0|1,0,0]=3 17234 B15R0.3180 CCCCCC(O)CCCC(=O)NCCO 240690a_100000210304_100020618878 [0,2,0,0,0,0|1,0,0]=3 17235 B15R0.3180 CCCCCC(O)CCCC(=O)NCCO 527a_100000210304_100020618878 [0,2,0,0,0,0|1,0,0]=3 17236 B15R0.3180 CCCCCC(O)CCCC(=O)NNCC 22a_100000756455_100020618878 [0,2,0,0,0,0|1,0,0]=3 17237 B15R0.3180 CCCCCN(C)CCCC(=O)NCCC 2230a_100000223495_100011194427 [0,2,0,0,0,0|2,0,0]=4 17238 B15R0.3180 CCCCCN(C)CCCC(=O)NCCC 269982a_100000223495_100011194427 [0,2,0,0,0,0|2,0,0]=4 17239 B15R0.3180 CCCOC(=O)COC[C@@H](N)CCCCN 34a_100016993712_200011215008 [0,2,0,0,0,0|2,0,0]=4 17240 B15R0.1575 C#CC(CCCCC)OCCC(=O)NCC 7a_100011216489_100000737597 [0,2,0,0,0,0|2,0,0]=4 17241 B15R0.1575 C#CC(CCCCC)OCCC(=O)OCC 34a_100011216489_100000765890 [0,2,0,0,0,0|1,0,0]=3 17242 B15R0.1575 C#CC(CCCCC)OCCC(=O)OCC 7a_100011216489_100011206558 [0,2,0,0,0,0|1,0,0]=3 17243 B15R0.1575 C=CC(CCCCC)OCCC(=O)NCC 7a_100011216863_100000737597 [0,2,0,0,0,0|2,0,0]=4 17244 B15R0.1575 C=CC(CCCCC)OCCC(=O)OCC 34a_100011216863_100000765890 [0,2,0,0,0,0|1,0,0]=3 17245 B15R0.1575 C=CC(CCCCC)OCCC(=O)OCC 7a_100011216863_100011206558 [0,2,0,0,0,0|1,0,0]=3 17246 B15R0.1575 CCCCCC(CC)NCCC(=O)NCC 270004a_100025743525_100011215316 [0,2,0,0,0,0|2,0,0]=4 17247 B15R0.1575 CCCCCC(CC)OCCC(=O)NCC 7a_100011215405_100000737597 [0,2,0,0,0,0|2,0,0]=4 17248 B15R0.1575 CCCCCC(CC)OCCC(=O)OCC 34a_100011215405_100000765890 [0,2,0,0,0,0|1,0,0]=3 17249 B15R0.1575 CCCCCC(CC)OCCC(=O)OCC 7a_100011215405_100011206558 [0,2,0,0,0,0|1,0,0]=3 17250 B15R0.1575 CCOC(=O)CCCN(CC)CCCCO 2230a_100011217355_100009991533 [0,2,0,0,0,0|2,0,0]=4 17251 B15R0.1575 CCOC(=O)CCCN(CC)CCCCO 269982a_100011217355_100009991533 [0,2,0,0,0,0|2,0,0]=4 17252 B13R1.6 CCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210314 [1,0,0,1,0,0|2,0,0]=4 17253 B13R1.6 CCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210314 [1,0,0,1,0,0|1,0,0]=3 17254 B13R1.6 CCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210326 [1,0,0,1,0,0|2,0,0]=4 17255 B13R1.6 CCCCCNC1CCNC(=O)C1 34a_100016994916_100000718602 [1,0,0,1,0,0|2,0,0]=4 17256 B13R1.6 CCCCCOC1CCCC(=O)C1 34a_100012613340_100000718602 [1,0,0,1,0,0|2,0,0]=4 17257 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000718602 [1,0,0,1,0,0|2,0,0]=4 17258 B13R1.6 CCCCOCC1CCNC(=O)C1 34a_100009886756_100000210210 [1,0,0,1,0,0|2,0,0]=4 17259 B13R1.6 CCCCOCN1CCOC(=O)C1 2230a_100000131268_100011995733 [1,0,0,1,0,0|2,0,0]=4 17260 B13R1.6 CCCOCCN1CCOC(=O)C1 2230a_100000131268_100011215938 [1,0,0,1,0,0|2,0,0]=4 17261 B13R1.6 CCOCCCN1CCOC(=O)C1 2230a_100000131268_100012232248 [1,0,0,1,0,0|2,0,0]=4 17262 B13R1.6 COCCCCN1CCOC(=O)C1 2230a_100000131268_100000730899 [1,0,0,1,0,0|2,0,0]=4 17263 B13R1.6 O=C1CN(CCO1)CCCCCF 2230a_100000131268_100000729378 [1,0,0,1,0,0|2,0,0]=4 17264 B13R1.6 O=C1CN(CCO1)CCCCCO 2230a_100000131268_100000746330 [1,0,0,1,0,0|2,0,0]=4 17265 B13R1.42 CC#CC(=O)CCC1CCCCC1 1458a_100000763181_100011273959 [1,0,0,1,0,0|1,0,1]=4 17266 B13R1.42 CC=CC(=O)CCC1CCCCC1 1458a_100000210699_100011273959 [1,0,0,1,0,0|1,0,1]=4 17267 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211375_100000210303 [1,0,0,1,0,0|1,0,0]=3 17268 B13R1.42 CCCC(=O)CCC1CCCCC1 1458a_100000211992_100011273959 [1,0,0,1,0,0|1,0,0]=3 17269 B13R1.42 CCCC(=O)CCC1CCOCC1 1458a_100000211992_100011934994 [1,0,0,1,0,0|2,0,0]=4 17270 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000211992_100000739454 [1,0,0,1,0,0|2,0,0]=4 17271 B13R1.42 CCCC(=O)CCN1CCCCC1 1458a_100000743487_100000210303 [1,0,0,1,0,0|2,0,0]=4 17272 B13R1.42 CCCC(=O)CNC1CCCCC1 2230a_100000182618_100000747444 [1,0,0,1,0,0|2,0,0]=4 17273 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100000211992_100011935260 [1,0,0,1,0,0|2,0,0]=4 17274 B13R1.42 CCCC(=O)COC1CCCCC1 1458a_100011223303_100000210303 [1,0,0,1,0,0|2,0,0]=4 17275 B13R1.42 CCCC(=O)COC1CCCCC1 7a_100000210231_100000747444 [1,0,0,1,0,0|2,0,0]=4 17276 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000210327_100000747444 [1,0,0,1,0,0|2,0,0]=4 17277 B13R1.42 CCCC(=O)CSC1CCCCC1 62a_100000747444_100000210327 [1,0,0,1,0,0|2,0,0]=4 17278 B13R1.42 CCCC(=O)NCC1CCCCC1 11a_100000210473_100000211992 [1,0,0,1,0,0|2,0,0]=4 17279 B13R1.42 CCCC(=O)NCC1CCCCC1 1626a_100000210473_100000211992 [1,0,0,1,0,0|2,0,0]=4 17280 B13R1.42 CCCC(=O)NCC1CCCCC1 240690a_100000210473_100000211992 [1,0,0,1,0,0|2,0,0]=4 17281 B13R1.42 CCCC(=O)NCC1CCCCC1 527a_100000210473_100000211992 [1,0,0,1,0,0|2,0,0]=4 17282 B13R1.42 CCNC(=O)CCC1CCCCC1 11a_100015525214_100000211375 [1,0,0,1,0,0|1,0,0]=3 17283 B13R1.42 CCNC(=O)CCC1CCCCC1 240690a_100015525214_100000211375 [1,0,0,1,0,0|1,0,0]=3 17284 B13R1.42 CCNC(=O)CCC1CCCCC1 527a_100015525214_100000211375 [1,0,0,1,0,0|1,0,0]=3 17285 B13R1.42 CCNC(=O)CCN1CCCCC1 240690a_100015525214_100000743487 [1,0,0,1,0,0|2,0,0]=4 17286 B13R1.42 CCNC(=O)CNC1CCCCC1 2230a_100000182618_100000183381 [1,0,0,1,0,0|2,0,0]=4 17287 B13R1.42 CCNC(=O)CNC1CCCCC1 270004a_100016988866_100000210434 [1,0,0,1,0,0|2,0,0]=4 17288 B13R1.42 CCNC(=O)CNC1CCCCC1 34a_100000182618_100000183381 [1,0,0,1,0,0|2,0,0]=4 17289 B13R1.42 CCNC(=O)COC1CCCCC1 11a_100015525214_100011223303 [1,0,0,1,0,0|2,0,0]=4 17290 B13R1.42 CCNC(=O)COC1CCCCC1 240690a_100015525214_100011223303 [1,0,0,1,0,0|2,0,0]=4 17291 B13R1.42 CCNC(=O)COC1CCCCC1 34a_100000210231_100000183381 [1,0,0,1,0,0|2,0,0]=4 17292 B13R1.42 CCNC(=O)COC1CCCCC1 527a_100015525214_100011223303 [1,0,0,1,0,0|2,0,0]=4 17293 B13R1.42 CCNC(=O)COC1CCCCC1 7a_100000210231_100000183381 [1,0,0,1,0,0|2,0,0]=4 17294 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000183381_100000210327 [1,0,0,1,0,0|2,0,0]=4 17295 B13R1.42 CCNC(=O)CSC1CCCCC1 62a_100000210327_100000183381 [1,0,0,1,0,0|2,0,0]=4 17296 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100000210473_100015525214 [1,0,0,1,0,0|2,0,0]=4 17297 B13R1.42 CCNC(=O)NCC1CCCCC1 2708a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 17298 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100000210473_100015525214 [1,0,0,1,0,0|2,0,0]=4 17299 B13R1.42 CCNC(=O)NCC1CCCCC1 273464a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 17300 B13R1.42 CCNC(=O)NCC1CCCCC1 512a_100015525214_100000210473 [1,0,0,1,0,0|2,0,0]=4 17301 B13R1.42 CCOC(=O)CCN1CCCOC1 2230a_100000131196_100011206558 [1,0,0,1,0,0|2,0,0]=4 17302 B13R1.42 CCOC(=O)CCN1CCCOC1 269982a_100000131196_100011206558 [1,0,0,1,0,0|2,0,0]=4 17303 B13R1.42 CCOC(=O)CCN1CCCOC1 34a_100000131196_100000765890 [1,0,0,1,0,0|2,0,0]=4 17304 B13R1.42 CCOC(=O)CCN1CCOCC1 2230a_100015191051_100011206558 [1,0,0,1,0,0|2,0,0]=4 17305 B13R1.42 CCOC(=O)CCN1CCOCC1 269982a_100015191051_100011206558 [1,0,0,1,0,0|2,0,0]=4 17306 B13R1.42 CCOC(=O)CCN1CCOCC1 34a_100015191051_100000765890 [1,0,0,1,0,0|2,0,0]=4 17307 B13R1.42 CCOC(=O)CCN1CCSCC1 2230a_100000737611_100011206558 [1,0,0,1,0,0|2,0,0]=4 17308 B13R1.42 CCOC(=O)CCN1CCSCC1 269982a_100000737611_100011206558 [1,0,0,1,0,0|2,0,0]=4 17309 B13R1.42 CCOC(=O)CNC1CCCCC1 2230a_100000182618_100000188475 [1,0,0,1,0,0|1,0,0]=3 17310 B13R1.42 CCOC(=O)CNC1CCCCC1 34a_100000182618_100000188475 [1,0,0,1,0,0|1,0,0]=3 17311 B13R1.42 CCOC(=O)CNC1CCCOC1 2230a_100000719290_100000188475 [1,0,0,1,0,0|2,0,0]=4 17312 B13R1.42 CCOC(=O)CNC1CCCOC1 34a_100000719290_100000188475 [1,0,0,1,0,0|2,0,0]=4 17313 B13R1.42 CCOC(=O)CNC1CCOCC1 2230a_100000741149_100000188475 [1,0,0,1,0,0|2,0,0]=4 17314 B13R1.42 CCOC(=O)CNC1CCOCC1 34a_100000741149_100000188475 [1,0,0,1,0,0|2,0,0]=4 17315 B13R1.42 CCOC(=O)CNC1CCSCC1 2230a_100000748639_100000188475 [1,0,0,1,0,0|2,0,0]=4 17316 B13R1.42 CCOC(=O)CNC1CCSCC1 34a_100000748639_100000188475 [1,0,0,1,0,0|2,0,0]=4 17317 B13R1.42 CCOC(=O)COC1CCCCC1 34a_100000210231_100000188475 [1,0,0,1,0,0|1,0,0]=3 17318 B13R1.42 CCOC(=O)COC1CCCCC1 7a_100000210231_100000188475 [1,0,0,1,0,0|1,0,0]=3 17319 B13R1.42 CCOC(=O)COC1CCCCO1 34a_100000033831_100000188475 [1,0,0,1,0,0|2,0,0]=4 17320 B13R1.42 CCOC(=O)COC1CCCOC1 34a_100000754041_100000188475 [1,0,0,1,0,0|2,0,0]=4 17321 B13R1.42 CCOC(=O)COC1CCCSC1 7a_100015962668_100000188475 [1,0,0,1,0,0|2,0,0]=4 17322 B13R1.42 CCOC(=O)COC1CCOCC1 34a_100000744328_100000188475 [1,0,0,1,0,0|2,0,0]=4 17323 B13R1.42 CCOC(=O)COC1CCSCC1 34a_100000731022_100000188475 [1,0,0,1,0,0|2,0,0]=4 17324 B13R1.42 CCOC(=O)COC1CCSCC1 7a_100000731022_100000188475 [1,0,0,1,0,0|2,0,0]=4 17325 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000188475_100000210327 [1,0,0,1,0,0|1,0,0]=3 17326 B13R1.42 CCOC(=O)CSC1CCCCC1 62a_100000210327_100000188475 [1,0,0,1,0,0|1,0,0]=3 17327 B13R1.42 CCOC(=O)CSC1CCCOC1 62a_100000188475_100000693364 [1,0,0,1,0,0|2,0,0]=4 17328 B13R1.42 CCOC(=O)CSC1CCOCC1 62a_100000188475_100011324220 [1,0,0,1,0,0|2,0,0]=4 17329 B13R1.42 CCOC(=O)CSC1CCSCC1 62a_100000188475_100000069128 [1,0,0,1,0,0|2,0,0]=4 17330 B13R1.42 CNNC(=O)CCC1CCCCC1 22a_100016993582_100000211375 [1,0,0,1,0,0|2,0,0]=4 17331 B13R1.42 COCC(=O)CCC1CCCCC1 1458a_100000210968_100011273959 [1,0,0,1,0,0|2,0,0]=4 17332 B13R1.42 CSCC(=O)CCC1CCCCC1 1458a_100000184570_100011273959 [1,0,0,1,0,0|2,0,0]=4 17333 B13R1.42 O=C(CCF)CCC1CCCCC1 1458a_100000211375_100011217306 [1,0,0,1,0,0|2,0,0]=4 17334 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100000211375_100000211926 [1,0,0,1,0,0|2,0,0]=4 17335 B13R1.42 O=C(CCO)CCC1CCCCC1 1458a_100011216618_100011273959 [1,0,0,1,0,0|2,0,0]=4 17336 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210303 [1,0,0,1,0,0|2,0,0]=4 17337 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210303 [1,0,0,1,0,0|2,0,0]=4 17338 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000210303 [1,0,0,1,0,0|2,0,0]=4 17339 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210303 [1,0,0,1,0,0|1,0,0]=3 17340 B13R1.208 CCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210303 [1,0,0,1,0,0|1,0,0]=3 17341 B13R1.208 CCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210303 [1,0,0,1,0,0|2,0,0]=4 17342 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 2230a_100000703725_100011217306 [1,0,0,1,0,0|2,0,0]=4 17343 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCF 269982a_100000703725_100011217306 [1,0,0,1,0,0|2,0,0]=4 17344 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 2230a_100000703725_100000211926 [1,0,0,1,0,0|2,0,0]=4 17345 B13R1.208 CCOC(=O)[C@@H]1CCCN1CCO 269982a_100000703725_100000211926 [1,0,0,1,0,0|2,0,0]=4 17346 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 2230a_100000703725_100000766300 [1,0,0,1,0,0|2,0,0]=4 17347 B13R1.208 CCOC(=O)[C@@H]1CCCN1COC 269982a_100000703725_100000766300 [1,0,0,1,0,0|2,0,0]=4 17348 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 2230a_100000703725_100011218213 [1,0,0,1,0,0|2,0,0]=4 17349 B13R1.208 CCOC(=O)[C@@H]1CCCN1CSC 269982a_100000703725_100011218213 [1,0,0,1,0,0|2,0,0]=4 17350 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCC 7a_200015395474_100000210202 [1,0,0,1,0,0|1,0,0]=3 17351 B13R1.208 CCOC(=O)[C@@H]1CCC[C@@H]1OCF 7a_200015395474_100015361967 [1,0,0,1,0,0|2,0,0]=4 17352 B13R1.223 CCOC(=O)CN1CCC1COC 2230a_100015195929_100000188475 [1,0,0,1,0,0|2,0,0]=4 17353 B13R1.223 CCOC(=O)CN1CCC1COC 269982a_100015195929_100000188475 [1,0,0,1,0,0|2,0,0]=4 17354 B13R1.223 CCOC(=O)CN1CCC1COC 34a_100015195929_100000188475 [1,0,0,1,0,0|2,0,0]=4 17355 B13R1.404 CC#CC(=O)CCCC1CCCC1 1458a_100000763181_100011713738 [1,0,0,1,0,0|1,0,1]=4 17356 B13R1.404 CC=CC(=O)CCCC1CCCC1 1458a_100000210699_100011713738 [1,0,0,1,0,0|1,0,1]=4 17357 B13R1.404 CCCC(=O)CCCC1CCCC1 1458a_100000211992_100011713738 [1,0,0,1,0,0|1,0,0]=3 17358 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000211992_100011445909 [1,0,0,1,0,0|2,0,0]=4 17359 B13R1.404 CCCC(=O)CCCN1CCCC1 1458a_100000743284_100000210303 [1,0,0,1,0,0|2,0,0]=4 17360 B13R1.404 CCCC(=O)CNCC1CCCC1 2230a_100000737975_100000747444 [1,0,0,1,0,0|2,0,0]=4 17361 B13R1.404 CCCC(=O)COCC1CCCC1 7a_100000742336_100000747444 [1,0,0,1,0,0|2,0,0]=4 17362 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000740388_100000747444 [1,0,0,1,0,0|2,0,0]=4 17363 B13R1.404 CCCC(=O)CSCC1CCCC1 62a_100000747444_100000740388 [1,0,0,1,0,0|2,0,0]=4 17364 B13R1.404 CCCC(=O)NCCC1CCCC1 11a_100000739158_100000211992 [1,0,0,1,0,0|2,0,0]=4 17365 B13R1.404 CCCC(=O)NCCC1CCCC1 1626a_100000739158_100000211992 [1,0,0,1,0,0|2,0,0]=4 17366 B13R1.404 CCCC(=O)NCCC1CCCC1 240690a_100000739158_100000211992 [1,0,0,1,0,0|2,0,0]=4 17367 B13R1.404 CCCC(=O)NCCC1CCCC1 527a_100000739158_100000211992 [1,0,0,1,0,0|2,0,0]=4 17368 B13R1.404 CCNC(=O)CCCN1CCCC1 240690a_100015525214_100000743284 [1,0,0,1,0,0|2,0,0]=4 17369 B13R1.404 CCNC(=O)CCNC1CCCC1 2230a_100000211070_100000737597 [1,0,0,1,0,0|2,0,0]=4 17370 B13R1.404 CCNC(=O)CCNC1CCCC1 270004a_100025743525_100000210133 [1,0,0,1,0,0|2,0,0]=4 17371 B13R1.404 CCNC(=O)CCNC1CCCC1 34a_100025743525_100000179811 [1,0,0,1,0,0|2,0,0]=4 17372 B13R1.404 CCNC(=O)CCOC1CCCC1 7a_100000210269_100000737597 [1,0,0,1,0,0|2,0,0]=4 17373 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100000737597_100000179811 [1,0,0,1,0,0|2,0,0]=4 17374 B13R1.404 CCNC(=O)CCSC1CCCC1 62a_100011217020_100000737597 [1,0,0,1,0,0|2,0,0]=4 17375 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100000737975_100000183381 [1,0,0,1,0,0|2,0,0]=4 17376 B13R1.404 CCNC(=O)CNCC1CCCC1 2230a_100016988866_100000740388 [1,0,0,1,0,0|2,0,0]=4 17377 B13R1.404 CCNC(=O)CNCC1CCCC1 34a_100000737975_100000183381 [1,0,0,1,0,0|2,0,0]=4 17378 B13R1.404 CCNC(=O)COCC1CCCC1 34a_100000742336_100000183381 [1,0,0,1,0,0|2,0,0]=4 17379 B13R1.404 CCNC(=O)COCC1CCCC1 7a_100000742336_100000183381 [1,0,0,1,0,0|2,0,0]=4 17380 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000183381_100000740388 [1,0,0,1,0,0|2,0,0]=4 17381 B13R1.404 CCNC(=O)CSCC1CCCC1 62a_100000740388_100000183381 [1,0,0,1,0,0|2,0,0]=4 17382 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 17383 B13R1.404 CCNC(=O)NCCC1CCCC1 2708a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 17384 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 17385 B13R1.404 CCNC(=O)NCCC1CCCC1 273464a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 17386 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100000739158_100015525214 [1,0,0,1,0,0|2,0,0]=4 17387 B13R1.404 CCNC(=O)NCCC1CCCC1 512a_100015525214_100000739158 [1,0,0,1,0,0|2,0,0]=4 17388 B13R1.404 CCOC(=O)CCCN1CCCC1 2230a_100000188435_100009991533 [1,0,0,1,0,0|1,0,0]=3 17389 B13R1.404 CCOC(=O)CCCN1CCCC1 269982a_100000188435_100009991533 [1,0,0,1,0,0|1,0,0]=3 17390 B13R1.404 CCOC(=O)CCCN1CCSC1 2230a_100011215254_100009991533 [1,0,0,1,0,0|2,0,0]=4 17391 B13R1.404 CCOC(=O)CCCN1CCSC1 269982a_100011215254_100009991533 [1,0,0,1,0,0|2,0,0]=4 17392 B13R1.404 CCOC(=O)CCNC1CCCC1 2230a_100000211070_100011206558 [1,0,0,1,0,0|1,0,0]=3 17393 B13R1.404 CCOC(=O)CCNC1CCCC1 34a_100000211070_100000765890 [1,0,0,1,0,0|1,0,0]=3 17394 B13R1.404 CCOC(=O)CCN[C@@H]1CCOC1 2230a_200015188469_100011206558 [1,0,0,1,0,0|2,0,0]=4 17395 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 2230a_100015188467_100011206558 [1,0,0,1,0,0|2,0,0]=4 17396 B13R1.404 CCOC(=O)CCN[C@H]1CCOC1 34a_100015188467_100000765890 [1,0,0,1,0,0|2,0,0]=4 17397 B13R1.404 CCOC(=O)CCOC1CCCC1 34a_100000210269_100000765890 [1,0,0,1,0,0|1,0,0]=3 17398 B13R1.404 CCOC(=O)CCOC1CCCC1 7a_100000210269_100011206558 [1,0,0,1,0,0|1,0,0]=3 17399 B13R1.404 CCOC(=O)CCOC1CCCO1 34a_100000085407_100000765890 [1,0,0,1,0,0|2,0,0]=4 17400 B13R1.404 CCOC(=O)CCOC1CCSC1 7a_100011232664_100011206558 [1,0,0,1,0,0|2,0,0]=4 17401 B13R1.404 CCOC(=O)CCO[C@H]1CCOC1 34a_100000717292_100000765890 [1,0,0,1,0,0|2,0,0]=4 17402 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100000765890_100000179811 [1,0,0,1,0,0|1,0,0]=3 17403 B13R1.404 CCOC(=O)CCSC1CCCC1 62a_100011217020_100000765890 [1,0,0,1,0,0|1,0,0]=3 17404 B13R1.404 CCOC(=O)CCSC1CCOC1 62a_100000765890_100000690089 [1,0,0,1,0,0|2,0,0]=4 17405 B13R1.404 CCOC(=O)CNCC1CCCC1 2230a_100000737975_100000188475 [1,0,0,1,0,0|1,0,0]=3 17406 B13R1.404 CCOC(=O)CNCC1CCCC1 34a_100000737975_100000188475 [1,0,0,1,0,0|1,0,0]=3 17407 B13R1.404 CCOC(=O)CNCC1CCOC1 2230a_100000737293_100000188475 [1,0,0,1,0,0|2,0,0]=4 17408 B13R1.404 CCOC(=O)CNCC1CCOC1 34a_100000737293_100000188475 [1,0,0,1,0,0|2,0,0]=4 17409 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 2230a_100020590478_100000188475 [1,0,0,1,0,0|2,0,0]=4 17410 B13R1.404 CCOC(=O)CNC[C@@H]1CCCO1 34a_100020590478_100000188475 [1,0,0,1,0,0|2,0,0]=4 17411 B13R1.404 CCOC(=O)COCC1CCCC1 34a_100000742336_100000188475 [1,0,0,1,0,0|1,0,0]=3 17412 B13R1.404 CCOC(=O)COCC1CCCC1 7a_100000742336_100000188475 [1,0,0,1,0,0|1,0,0]=3 17413 B13R1.404 CCOC(=O)COCC1CCCO1 34a_100000210270_100000188475 [1,0,0,1,0,0|2,0,0]=4 17414 B13R1.404 CCOC(=O)COCC1CCCO1 7a_100000210270_100000188475 [1,0,0,1,0,0|2,0,0]=4 17415 B13R1.404 CCOC(=O)COCC1CCNC1 34a_100000748654_100000188475 [1,0,0,1,0,0|2,0,0]=4 17416 B13R1.404 CCOC(=O)COCC1CCOC1 34a_100000740260_100000188475 [1,0,0,1,0,0|2,0,0]=4 17417 B13R1.404 CCOC(=O)COC[C@H]1CCCN1 34a_100000745186_100000188475 [1,0,0,1,0,0|2,0,0]=4 17418 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000188475_100000740388 [1,0,0,1,0,0|1,0,0]=3 17419 B13R1.404 CCOC(=O)CSCC1CCCC1 62a_100000740388_100000188475 [1,0,0,1,0,0|1,0,0]=3 17420 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000188475_100000203698 [1,0,0,1,0,0|2,0,0]=4 17421 B13R1.404 CCOC(=O)CSCC1CCCO1 62a_100000203698_100000188475 [1,0,0,1,0,0|2,0,0]=4 17422 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000188475_100000702531 [1,0,0,1,0,0|2,0,0]=4 17423 B13R1.404 CCOC(=O)CSCC1CCOC1 62a_100000702531_100000188475 [1,0,0,1,0,0|2,0,0]=4 17424 B13R1.404 CCOC(=O)NCCN1CCCC1 269982a_100000188435_200011445536 [1,0,0,1,0,0|2,0,0]=4 17425 B13R1.404 CCOC(=O)OCSC1CCCC1 62a_100011217020_100000075025 [1,0,0,1,0,0|2,0,0]=4 17426 B13R1.404 COCC(=O)CCCC1CCCC1 1458a_100000210968_100011713738 [1,0,0,1,0,0|2,0,0]=4 17427 B13R1.404 CSCC(=O)CCCC1CCCC1 1458a_100000184570_100011713738 [1,0,0,1,0,0|2,0,0]=4 17428 B13R1.404 O=C(CCO)CCCC1CCCC1 1458a_100011216618_100011713738 [1,0,0,1,0,0|2,0,0]=4 17429 B13R1.443 CCCC(=O)CN1CCCC1CC 2230a_100000754278_100000747444 [1,0,0,1,0,0|2,0,0]=4 17430 B13R1.443 CCCC(=O)CN1CCCC1CC 269982a_100000754278_100000747444 [1,0,0,1,0,0|2,0,0]=4 17431 B13R1.443 CCNC(=O)CN1CCCC1CC 2230a_100000754278_100000183381 [1,0,0,1,0,0|2,0,0]=4 17432 B13R1.443 CCNC(=O)CN1CCCC1CC 269982a_100000754278_100000183381 [1,0,0,1,0,0|2,0,0]=4 17433 B13R1.443 CCNC(=O)CN1CCCC1CC 34a_100000754278_100000183381 [1,0,0,1,0,0|2,0,0]=4 17434 B13R1.443 CCOC(=O)CN1CCCC1CC 2230a_100000754278_100000188475 [1,0,0,1,0,0|1,0,0]=3 17435 B13R1.443 CCOC(=O)CN1CCCC1CC 269982a_100000754278_100000188475 [1,0,0,1,0,0|1,0,0]=3 17436 B13R1.443 CCOC(=O)CN1CCCC1CC 34a_100000754278_100000188475 [1,0,0,1,0,0|1,0,0]=3 17437 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000188475 [1,0,0,1,0,0|2,0,0]=4 17438 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000188475 [1,0,0,1,0,0|2,0,0]=4 17439 B13R1.443 CCOC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000188475 [1,0,0,1,0,0|2,0,0]=4 17440 B13R1.444 CCCC(=O)CCC1CCCN1C 1458a_100000211992_100000005710 [1,0,0,1,0,0|2,0,0]=4 17441 B13R1.444 CCCC(=O)COC1CCCC1C 7a_100011216460_100000747444 [1,0,0,1,0,0|2,0,0]=4 17442 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100000737597 [1,0,0,1,0,0|2,0,0]=4 17443 B13R1.444 CCNC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000737597 [1,0,0,1,0,0|2,0,0]=4 17444 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100000737597 [1,0,0,1,0,0|2,0,0]=4 17445 B13R1.444 CCNC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000737597 [1,0,0,1,0,0|2,0,0]=4 17446 B13R1.444 CCNC(=O)COC1CCCC1C 34a_100011216460_100000183381 [1,0,0,1,0,0|2,0,0]=4 17447 B13R1.444 CCNC(=O)COC1CCCC1C 7a_100011216460_100000183381 [1,0,0,1,0,0|2,0,0]=4 17448 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 2230a_100020605311_100011206558 [1,0,0,1,0,0|1,0,0]=3 17449 B13R1.444 CCOC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100011206558 [1,0,0,1,0,0|1,0,0]=3 17450 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 2230a_100015189458_100011206558 [1,0,0,1,0,0|1,0,0]=3 17451 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100011206558 [1,0,0,1,0,0|1,0,0]=3 17452 B13R1.444 CCOC(=O)CCN1CCC[C@H]1C 34a_100015189458_100000765890 [1,0,0,1,0,0|1,0,0]=3 17453 B13R1.444 CCOC(=O)CCN1CCSC1C 2230a_200011216479_100011206558 [1,0,0,1,0,0|2,0,0]=4 17454 B13R1.444 CCOC(=O)CCN1CCSC1C 269982a_200011216479_100011206558 [1,0,0,1,0,0|2,0,0]=4 17455 B13R1.444 CCOC(=O)CCN1CCSC1C 34a_200011216479_100000765890 [1,0,0,1,0,0|2,0,0]=4 17456 B13R1.444 CCOC(=O)COC1CCCC1C 34a_100011216460_100000188475 [1,0,0,1,0,0|1,0,0]=3 17457 B13R1.444 CCOC(=O)COC1CCCC1C 7a_100011216460_100000188475 [1,0,0,1,0,0|1,0,0]=3 17458 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000188475 [1,0,0,1,0,0|2,0,0]=4 17459 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@@H]1N 34a_100000748460_100000188475 [1,0,0,1,0,0|2,0,0]=4 17460 B13R1.444 CCOC(=O)CO[C@H]1CNC[C@H]1C 34a_200015306588_100000188475 [1,0,0,1,0,0|2,0,0]=4 17461 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_100000188475_200016002552 [1,0,0,1,0,0|2,0,0]=4 17462 B13R1.444 CCOC(=O)CS[C@@H]1CCC[C@H]1O 62a_200016002552_100000188475 [1,0,0,1,0,0|2,0,0]=4 17463 B13R1.447 CCNC(=O)CCOCC1CC1C 7a_100000744939_100000737597 [1,0,0,1,0,0|2,0,0]=4 17464 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009991533 [1,0,0,1,0,0|2,0,0]=4 17465 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009991533 [1,0,0,1,0,0|2,0,0]=4 17466 B13R1.447 CCOC(=O)CCCN[C@@H]1C[C@H]1F 34a_100025746932_100009991533 [1,0,0,1,0,0|2,0,0]=4 17467 B13R1.447 CCOC(=O)CCOCC1CC1C 34a_100000744939_100000765890 [1,0,0,1,0,0|1,0,0]=3 17468 B13R1.447 CCOC(=O)CCOCC1CC1C 7a_100000744939_100011206558 [1,0,0,1,0,0|1,0,0]=3 17469 B13R1.448 CCNC(=O)CCNCC1CCC1 2230a_100000738700_100000737597 [1,0,0,1,0,0|2,0,0]=4 17470 B13R1.448 CCNC(=O)CCNCC1CCC1 269862a_100025743525_100000753134 [1,0,0,1,0,0|2,0,0]=4 17471 B13R1.448 CCNC(=O)CCNCC1CCC1 34a_100025743525_100000763275 [1,0,0,1,0,0|2,0,0]=4 17472 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000737597_100000763275 [1,0,0,1,0,0|2,0,0]=4 17473 B13R1.448 CCNC(=O)CCSCC1CCC1 62a_100000763275_100000737597 [1,0,0,1,0,0|2,0,0]=4 17474 B13R1.448 CCOC(=O)CCCCN1CCC1 269982a_100000754969_100000750268 [1,0,0,1,0,0|1,0,0]=3 17475 B13R1.448 CCOC(=O)CCCNC1CCC1 2230a_100000749019_100009991533 [1,0,0,1,0,0|1,0,0]=3 17476 B13R1.448 CCOC(=O)CCCNC1CCC1 34a_100000749019_100009991533 [1,0,0,1,0,0|1,0,0]=3 17477 B13R1.448 CCOC(=O)CCCNC1COC1 2230a_100016991112_100009991533 [1,0,0,1,0,0|2,0,0]=4 17478 B13R1.448 CCOC(=O)CCCOC1CCC1 34a_100000748187_100009991533 [1,0,0,1,0,0|1,0,0]=3 17479 B13R1.448 CCOC(=O)CCCOC1COC1 7a_100012001163_100009818527 [1,0,0,1,0,0|2,0,0]=4 17480 B13R1.448 CCOC(=O)CCCOC1CSC1 7a_100000072292_100011215271 [1,0,0,1,0,0|2,0,0]=4 17481 B13R1.448 CCOC(=O)CCCSC1CCC1 62a_100009991533_100000749161 [1,0,0,1,0,0|1,0,0]=3 17482 B13R1.448 CCOC(=O)CCCSC1COC1 62a_100009991533_100009818527 [1,0,0,1,0,0|2,0,0]=4 17483 B13R1.448 CCOC(=O)CCNCC1CCC1 2230a_100000738700_100011206558 [1,0,0,1,0,0|1,0,0]=3 17484 B13R1.448 CCOC(=O)CCNCC1CCC1 34a_100000738700_100000765890 [1,0,0,1,0,0|1,0,0]=3 17485 B13R1.448 CCOC(=O)CCNCC1COC1 2230a_100015281925_100011206558 [1,0,0,1,0,0|2,0,0]=4 17486 B13R1.448 CCOC(=O)CCNCC1COC1 34a_100015281925_100000765890 [1,0,0,1,0,0|2,0,0]=4 17487 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 2230a_100020831831_100011206558 [1,0,0,1,0,0|2,0,0]=4 17488 B13R1.448 CCOC(=O)CCNC[C@@H]1CCO1 34a_100020831831_100000765890 [1,0,0,1,0,0|2,0,0]=4 17489 B13R1.448 CCOC(=O)CCOCC1CCC1 34a_100000760304_100000765890 [1,0,0,1,0,0|1,0,0]=3 17490 B13R1.448 CCOC(=O)CCOCC1CCO1 34a_100000039022_100000765890 [1,0,0,1,0,0|2,0,0]=4 17491 B13R1.448 CCOC(=O)CCOCC1CNC1 34a_100016987283_100000765890 [1,0,0,1,0,0|2,0,0]=4 17492 B13R1.448 CCOC(=O)CCOCC1COC1 34a_100000060846_100000765890 [1,0,0,1,0,0|2,0,0]=4 17493 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000763275_100000765890 [1,0,0,1,0,0|1,0,0]=3 17494 B13R1.448 CCOC(=O)CCSCC1CCC1 62a_100000765890_100000763275 [1,0,0,1,0,0|1,0,0]=3 17495 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000103362_100000765890 [1,0,0,1,0,0|2,0,0]=4 17496 B13R1.448 CCOC(=O)CCSCC1CCO1 62a_100000765890_100000103362 [1,0,0,1,0,0|2,0,0]=4 17497 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100000765890_100010264016 [1,0,0,1,0,0|2,0,0]=4 17498 B13R1.448 CCOC(=O)CCSCC1COC1 62a_100010264016_100000765890 [1,0,0,1,0,0|2,0,0]=4 17499 B13R1.448 CCOC(=O)COCCC1COC1 34a_100009855314_100000188475 [1,0,0,1,0,0|2,0,0]=4 17500 B13R1.448 CCOC(=O)COCCN1CCC1 269982a_100000754969_100000088970 [1,0,0,1,0,0|2,0,0]=4 17501 B13R1.448 CCOC(=O)NCCOC1CCC1 34a_100000158857_100000749161 [1,0,0,1,0,0|2,0,0]=4 17502 B13R1.448 CCOC(=O)OCSCC1CCC1 62a_100000763275_100000075025 [1,0,0,1,0,0|2,0,0]=4 17503 B13R1.453 CCNC(=O)CCNCCC1CC1 34a_100025743525_100000694398 [1,0,0,1,0,0|2,0,0]=4 17504 B13R1.453 CCNC(=O)CCOCCC1CC1 7a_100000754188_100000737597 [1,0,0,1,0,0|2,0,0]=4 17505 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000737597_100000764125 [1,0,0,1,0,0|2,0,0]=4 17506 B13R1.453 CCNC(=O)CCSCCC1CC1 62a_100000764125_100000737597 [1,0,0,1,0,0|2,0,0]=4 17507 B13R1.453 CCOC(=O)CCCCNC1CC1 34a_100000212008_100000750268 [1,0,0,1,0,0|1,0,0]=3 17508 B13R1.453 CCOC(=O)CCCCSC1CC1 62a_100000750268_100000211595 [1,0,0,1,0,0|1,0,0]=3 17509 B13R1.453 CCOC(=O)CCCNCC1CC1 2230a_100000735609_100009991533 [1,0,0,1,0,0|1,0,0]=3 17510 B13R1.453 CCOC(=O)CCCNCC1CC1 34a_100000735609_100009991533 [1,0,0,1,0,0|1,0,0]=3 17511 B13R1.453 CCOC(=O)CCCOCC1CC1 34a_100000211283_100009991533 [1,0,0,1,0,0|1,0,0]=3 17512 B13R1.453 CCOC(=O)CCCOCC1CC1 7a_100012001163_100000742324 [1,0,0,1,0,0|1,0,0]=3 17513 B13R1.453 CCOC(=O)CCCOCC1CO1 7a_100012001163_102125554688 [1,0,0,1,0,0|2,0,0]=4 17514 B13R1.453 CCOC(=O)CCCOCC1CS1 7a_100012001163_100000031435 [1,0,0,1,0,0|2,0,0]=4 17515 B13R1.453 CCOC(=O)CCCOC[C@@H]1CO1 34a_100000757423_100009991533 [1,0,0,1,0,0|2,0,0]=4 17516 B13R1.453 CCOC(=O)CCCOC[C@@H]1CO1 7a_100012001163_100000745022 [1,0,0,1,0,0|2,0,0]=4 17517 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100000756562_100009991533 [1,0,0,1,0,0|1,0,0]=3 17518 B13R1.453 CCOC(=O)CCCSCC1CC1 62a_100009991533_100000742324 [1,0,0,1,0,0|1,0,0]=3 17519 B13R1.453 CCOC(=O)CCCSCC1CO1 62a_100009991533_102125554688 [1,0,0,1,0,0|2,0,0]=4 17520 B13R1.453 CCOC(=O)CCCSCC1CO1 62a_102125554688_100009991533 [1,0,0,1,0,0|2,0,0]=4 17521 B13R1.453 CCOC(=O)CCCSCC1CS1 62a_100000031435_100009991533 [1,0,0,1,0,0|2,0,0]=4 17522 B13R1.453 CCOC(=O)CCCSCC1CS1 62a_100009991533_100000031435 [1,0,0,1,0,0|2,0,0]=4 17523 B13R1.453 CCOC(=O)CCCSC[C@@H]1CO1 62a_100000745022_100009991533 [1,0,0,1,0,0|2,0,0]=4 17524 B13R1.453 CCOC(=O)CCCSC[C@@H]1CO1 62a_100009991533_100000745022 [1,0,0,1,0,0|2,0,0]=4 17525 B13R1.453 CCOC(=O)CCNCCC1CC1 34a_100000764129_100000765890 [1,0,0,1,0,0|1,0,0]=3 17526 B13R1.453 CCOC(=O)CCOCCC1CC1 34a_100000754188_100000765890 [1,0,0,1,0,0|1,0,0]=3 17527 B13R1.453 CCOC(=O)CCOCCC1CC1 7a_100000754188_100011206558 [1,0,0,1,0,0|1,0,0]=3 17528 B13R1.453 CCOC(=O)CCOCC[C@@H]1CO1 34a_100009820653_100000765890 [1,0,0,1,0,0|2,0,0]=4 17529 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000764125_100000765890 [1,0,0,1,0,0|1,0,0]=3 17530 B13R1.453 CCOC(=O)CCSCCC1CC1 62a_100000765890_100000764125 [1,0,0,1,0,0|1,0,0]=3 17531 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000732470_100000765890 [1,0,0,1,0,0|2,0,0]=4 17532 B13R1.453 CCOC(=O)CCSCCC1CO1 62a_100000765890_100000732470 [1,0,0,1,0,0|2,0,0]=4 17533 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000212008_100000088970 [1,0,0,1,0,0|2,0,0]=4 17534 B13R1.453 CCOC(=O)COCCNC1CC1 34a_100000738766_100000188475 [1,0,0,1,0,0|2,0,0]=4 17535 B13R1.453 CCOC(=O)COCCSC1CC1 62a_100000088970_100000211595 [1,0,0,1,0,0|2,0,0]=4 17536 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000188475_100000733510 [1,0,0,1,0,0|2,0,0]=4 17537 B13R1.453 CCOC(=O)CSCCCC1CO1 62a_100000733510_100000188475 [1,0,0,1,0,0|2,0,0]=4 17538 B13R1.453 CCOC(=O)NCCOCC1CC1 34a_100000158857_100000742324 [1,0,0,1,0,0|2,0,0]=4 17539 B13R1.453 CCOC(=O)NCCSCC1CC1 62a_100000756562_200011445536 [1,0,0,1,0,0|2,0,0]=4 17540 B13R1.453 CCOC(=O)OCSCCC1CC1 62a_100000764125_100000075025 [1,0,0,1,0,0|2,0,0]=4 17541 B13R1.461 CCOC(=O)CCCN1CCC1C 269982a_100000755817_100009991533 [1,0,0,1,0,0|1,0,0]=3 17542 B13R1.461 CCOC(=O)CCCN1CCC1C 34a_100000755817_100009991533 [1,0,0,1,0,0|1,0,0]=3 17543 B13R1.461 CCOC(=O)NCCN1CCC1C 269982a_100000755817_200011445536 [1,0,0,1,0,0|2,0,0]=4 17544 B13R1.463 CCCC(=O)C1CCCCCN1C 1458a_100015187800_100000210303 [1,0,0,1,0,0|2,0,0]=4 17545 B13R1.463 CCNC(=O)C1CCCCCN1C 240690a_100015525214_100015187800 [1,0,0,1,0,0|2,0,0]=4 17546 B13R1.463 CCNC(=O)C1CCCCCN1C 527a_100015525214_100015187800 [1,0,0,1,0,0|2,0,0]=4 17547 B13R1.464 CCCC(=O)C1CCCCN1CC 1458a_100000743832_100000210303 [1,0,0,1,0,0|2,0,0]=4 17548 B13R1.464 CCCC(=O)N1CCCCC1CC 11a_100000210034_100000211992 [1,0,0,1,0,0|2,0,0]=4 17549 B13R1.464 CCCC(=O)N1CCCCC1CC 1626a_100000210034_100000211992 [1,0,0,1,0,0|2,0,0]=4 17550 B13R1.464 CCCC(=O)N1CCCCC1CC 240690a_100000210034_100000211992 [1,0,0,1,0,0|2,0,0]=4 17551 B13R1.464 CCCC(=O)N1CCCCC1CC 527a_100000210034_100000211992 [1,0,0,1,0,0|2,0,0]=4 17552 B13R1.464 CCNC(=O)C1CCCCN1CC 11a_100015525214_100000743832 [1,0,0,1,0,0|2,0,0]=4 17553 B13R1.464 CCNC(=O)C1CCCCN1CC 240690a_100015525214_100000743832 [1,0,0,1,0,0|2,0,0]=4 17554 B13R1.464 CCNC(=O)C1CCCCN1CC 527a_100015525214_100000743832 [1,0,0,1,0,0|2,0,0]=4 17555 B13R1.464 CCNC(=O)N1CCCCC1CC 2708a_100015525214_100000210034 [1,0,0,1,0,0|2,0,0]=4 17556 B13R1.464 CCNC(=O)N1CCCCC1CC 273464a_100015525214_100000210034 [1,0,0,1,0,0|2,0,0]=4 17557 B13R1.464 CCOC(=O)C1CCCCC1OC 7a_100000038711_200000210301 [1,0,0,1,0,0|1,0,0]=3 17558 B13R1.464 CCOC(=O)C1CCCCC1O[13CH3] 7a_100000038711_200025704644 [1,0,0,1,0,0|1,0,0]=3 17559 B13R1.464 CCOC(=O)C1CCCCN1CC 2230a_100016990872_100000210202 [1,0,0,1,0,0|1,0,0]=3 17560 B13R1.464 CCOC(=O)C1CCCCN1CC 269982a_100016990872_100000204670 [1,0,0,1,0,0|1,0,0]=3 17561 B13R1.464 CCOC(=O)C1CCCCN1CF 269982a_100016990872_100015361967 [1,0,0,1,0,0|2,0,0]=4 17562 B13R1.464 CCOC(=O)C1CSCCN1CC 2230a_100000735462_100000210202 [1,0,0,1,0,0|2,0,0]=4 17563 B13R1.464 CCOC(=O)C1CSCCN1CC 269982a_100000735462_100000204670 [1,0,0,1,0,0|2,0,0]=4 17564 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 2230a_100015229691_100000210202 [1,0,0,1,0,0|2,0,0]=4 17565 B13R1.464 CCOC(=O)[C@@H]1COCCN1CC 269982a_100015229691_100000204670 [1,0,0,1,0,0|2,0,0]=4 17566 B13R1.470 CCCC(=O)CC1CCCCN1C 1458a_100000211992_100015185383 [1,0,0,1,0,0|2,0,0]=4 17567 B13R1.470 CCCC(=O)CN1CCCCC1C 2230a_100000211376_100000747444 [1,0,0,1,0,0|2,0,0]=4 17568 B13R1.470 CCCC(=O)CN1CCCCC1C 269982a_100000211376_100000747444 [1,0,0,1,0,0|2,0,0]=4 17569 B13R1.470 CCCC(=O)NC1CCCCC1C 11a_100000211402_100000211992 [1,0,0,1,0,0|2,0,0]=4 17570 B13R1.470 CCCC(=O)NC1CCCCC1C 1626a_100000211402_100000211992 [1,0,0,1,0,0|2,0,0]=4 17571 B13R1.470 CCCC(=O)NC1CCCCC1C 240690a_100000211402_100000211992 [1,0,0,1,0,0|2,0,0]=4 17572 B13R1.470 CCCC(=O)NC1CCCCC1C 527a_100000211402_100000211992 [1,0,0,1,0,0|2,0,0]=4 17573 B13R1.470 CCNC(=O)CN1CCCCC1C 2230a_100000211376_100000183381 [1,0,0,1,0,0|2,0,0]=4 17574 B13R1.470 CCNC(=O)CN1CCCCC1C 269982a_100000211376_100000183381 [1,0,0,1,0,0|2,0,0]=4 17575 B13R1.470 CCNC(=O)CN1CCCCC1C 34a_100000211376_100000183381 [1,0,0,1,0,0|2,0,0]=4 17576 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 17577 B13R1.470 CCNC(=O)NC1CCCCC1C 2708a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 17578 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 17579 B13R1.470 CCNC(=O)NC1CCCCC1C 273464a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 17580 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100000211402_100015525214 [1,0,0,1,0,0|2,0,0]=4 17581 B13R1.470 CCNC(=O)NC1CCCCC1C 512a_100015525214_100000211402 [1,0,0,1,0,0|2,0,0]=4 17582 B13R1.470 CCOC(=O)CC1CCCCN1C 2230a_100116209990_200000210301 [1,0,0,1,0,0|1,0,0]=3 17583 B13R1.470 CCOC(=O)CC1CCCCN1C 269982a_100116209990_200000210301 [1,0,0,1,0,0|1,0,0]=3 17584 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 2230a_100116209990_200025704644 [1,0,0,1,0,0|1,0,0]=3 17585 B13R1.470 CCOC(=O)CC1CCCCN1[13CH3] 269982a_100116209990_200025704644 [1,0,0,1,0,0|1,0,0]=3 17586 B13R1.470 CCOC(=O)CN1CCCCC1C 2230a_100000211376_100000188475 [1,0,0,1,0,0|1,0,0]=3 17587 B13R1.470 CCOC(=O)CN1CCCCC1C 269982a_100000211376_100000188475 [1,0,0,1,0,0|1,0,0]=3 17588 B13R1.470 CCOC(=O)CN1CCCCC1C 34a_100000211376_100000188475 [1,0,0,1,0,0|1,0,0]=3 17589 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 2230a_100009815349_100000188475 [1,0,0,1,0,0|2,0,0]=4 17590 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 269982a_100009815349_100000188475 [1,0,0,1,0,0|2,0,0]=4 17591 B13R1.470 CCOC(=O)CN1CCOC[C@@H]1C 34a_100009815349_100000188475 [1,0,0,1,0,0|2,0,0]=4 17592 B13R1.654 CCCCCCNC1CCCC1=O 2230a_100000210581_100000211823 [1,0,0,1,0,0|2,0,0]=4 17593 B13R1.654 CCCCCCNC1CCNC1=O 2230a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 17594 B13R1.654 CCCCCCNC1CCNC1=O 34a_100016995588_100000210314 [1,0,0,1,0,0|2,0,0]=4 17595 B13R1.654 CCCCCCNC1CCOC1=O 2230a_100000210581_100000211211 [1,0,0,1,0,0|1,0,0]=3 17596 B13R1.654 CCCCCCOC1CCCC1=O 34a_100000210259_100000709159 [1,0,0,1,0,0|2,0,0]=4 17597 B13R1.654 CCCCCCOC1CCCC1=O 34a_200000719330_100000210314 [1,0,0,1,0,0|2,0,0]=4 17598 B13R1.654 CCCCCCOC1CCCC1=O 7a_100000210259_100000211823 [1,0,0,1,0,0|2,0,0]=4 17599 B13R1.654 CCCCCCOC1CCOC1=O 34a_100000210259_100000211211 [1,0,0,1,0,0|1,0,0]=3 17600 B13R1.654 CCCCCCOC1CCOC1=O 7a_100000210259_100000211211 [1,0,0,1,0,0|1,0,0]=3 17601 B13R1.654 CCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210314 [1,0,0,1,0,0|2,0,0]=4 17602 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000210314_100000211823 [1,0,0,1,0,0|2,0,0]=4 17603 B13R1.654 CCCCCCSC1CCCC1=O 62a_100000211823_100000210757 [1,0,0,1,0,0|2,0,0]=4 17604 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000210314_100000211211 [1,0,0,1,0,0|1,0,0]=3 17605 B13R1.654 CCCCCCSC1CCOC1=O 62a_100000211211_100000210757 [1,0,0,1,0,0|1,0,0]=3 17606 B13R1.654 CCCCCOCC1CCNC1=O 34a_100000133458_100000718602 [1,0,0,1,0,0|2,0,0]=4 17607 B13R1.654 CCCCOCSC1CCOC1=O 62a_100000211211_100011995733 [1,0,0,1,0,0|2,0,0]=4 17608 B13R1.654 CCCCOCSC1CCOC1=O 62a_100011995733_100000211211 [1,0,0,1,0,0|2,0,0]=4 17609 B13R1.654 CCCOCCNC1CCOC1=O 2230a_100161115042_100000211211 [1,0,0,1,0,0|2,0,0]=4 17610 B13R1.654 CCCOCCNC1CCOC1=O 34a_100161115042_100000211211 [1,0,0,1,0,0|2,0,0]=4 17611 B13R1.654 CCCOCCOC1CCOC1=O 34a_100000752267_100000211211 [1,0,0,1,0,0|2,0,0]=4 17612 B13R1.654 CCCOCCOC1CCOC1=O 7a_100000752267_100000211211 [1,0,0,1,0,0|2,0,0]=4 17613 B13R1.654 CCCOCCSC1CCOC1=O 62a_100000211211_100011215938 [1,0,0,1,0,0|2,0,0]=4 17614 B13R1.654 CCCOCCSC1CCOC1=O 62a_100011215938_100000211211 [1,0,0,1,0,0|2,0,0]=4 17615 B13R1.654 CCCSCCNC1CCOC1=O 2230a_100020603323_100000211211 [1,0,0,1,0,0|2,0,0]=4 17616 B13R1.654 CCCSCCOC1CCOC1=O 34a_200000230433_100000211211 [1,0,0,1,0,0|2,0,0]=4 17617 B13R1.654 CCCSCCOC1CCOC1=O 7a_200000230433_100000211211 [1,0,0,1,0,0|2,0,0]=4 17618 B13R1.654 CCOCCCNC1CCOC1=O 2230a_100000210961_100000211211 [1,0,0,1,0,0|2,0,0]=4 17619 B13R1.654 CCOCCCNC1CCOC1=O 34a_100000210961_100000211211 [1,0,0,1,0,0|2,0,0]=4 17620 B13R1.654 CCOCCCOC1CCOC1=O 34a_100000757476_100000211211 [1,0,0,1,0,0|2,0,0]=4 17621 B13R1.654 CCOCCCOC1CCOC1=O 7a_100000757476_100000211211 [1,0,0,1,0,0|2,0,0]=4 17622 B13R1.654 CCOCCCSC1CCOC1=O 62a_100000211211_100012232248 [1,0,0,1,0,0|2,0,0]=4 17623 B13R1.654 CCOCCCSC1CCOC1=O 62a_100012232248_100000211211 [1,0,0,1,0,0|2,0,0]=4 17624 B13R1.654 CCSCCCOC1CCOC1=O 34a_100011216438_100000211211 [1,0,0,1,0,0|2,0,0]=4 17625 B13R1.654 CCSCCCOC1CCOC1=O 7a_100011216438_100000211211 [1,0,0,1,0,0|2,0,0]=4 17626 B13R1.654 COCCCCOC1CCOC1=O 34a_100000740925_100000211211 [1,0,0,1,0,0|2,0,0]=4 17627 B13R1.654 COCCCCSC1CCOC1=O 62a_100000211211_100000730899 [1,0,0,1,0,0|2,0,0]=4 17628 B13R1.654 COCCCCSC1CCOC1=O 62a_100000730899_100000211211 [1,0,0,1,0,0|2,0,0]=4 17629 B13R1.654 CSCCCCOC1CCOC1=O 34a_100011217163_100000211211 [1,0,0,1,0,0|2,0,0]=4 17630 B13R1.654 CSCCCCOC1CCOC1=O 7a_100011217163_100000211211 [1,0,0,1,0,0|2,0,0]=4 17631 B13R1.654 NCCCCCOC1CCOC1=O 34a_100000762737_100000211211 [1,0,0,1,0,0|2,0,0]=4 17632 B13R1.654 O=C1OCCC1NCCCCCO 2230a_100000762737_100000211211 [1,0,0,1,0,0|2,0,0]=4 17633 B13R1.654 O=C1OCCC1NCCCCCO 34a_100000762737_100000211211 [1,0,0,1,0,0|2,0,0]=4 17634 B13R1.654 O=C1OCCC1OCCCCCBr 34a_100000746331_100000211211 [1,0,0,1,0,0|2,0,0]=4 17635 B13R1.654 O=C1OCCC1OCCCCCBr 7a_100000746331_100000211211 [1,0,0,1,0,0|2,0,0]=4 17636 B13R1.654 O=C1OCCC1OCCCCCCl 34a_100000746330_100000211211 [1,0,0,1,0,0|2,0,0]=4 17637 B13R1.654 O=C1OCCC1OCCCCCCl 7a_100000746330_100000211211 [1,0,0,1,0,0|2,0,0]=4 17638 B13R1.654 O=C1OCCC1OCCCCCI 34a_200012148887_100000211211 [1,0,0,1,0,0|2,0,0]=4 17639 B13R1.654 O=C1OCCC1OCCCCCI 7a_200012148887_100000211211 [1,0,0,1,0,0|2,0,0]=4 17640 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000211211_100000729378 [1,0,0,1,0,0|2,0,0]=4 17641 B13R1.654 O=C1OCCC1SCCCCCF 62a_100000729378_100000211211 [1,0,0,1,0,0|2,0,0]=4 17642 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000211211_100000746330 [1,0,0,1,0,0|2,0,0]=4 17643 B13R1.654 O=C1OCCC1SCCCCCO 62a_100000746330_100000211211 [1,0,0,1,0,0|2,0,0]=4 17644 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [1,0,0,1,0,0|2,0,0]=4 17645 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [1,0,0,1,0,0|2,0,0]=4 17646 B13R1.1464 CCCC(=O)N1CCCCCCC1 11a_100000211400_100000211992 [1,0,0,1,0,0|2,0,0]=4 17647 B13R1.1464 CCCC(=O)N1CCCCCCC1 1626a_100000211400_100000211992 [1,0,0,1,0,0|2,0,0]=4 17648 B13R1.1464 CCCC(=O)N1CCCCCCC1 240690a_100000211400_100000211992 [1,0,0,1,0,0|2,0,0]=4 17649 B13R1.1464 CCCC(=O)N1CCCCCCC1 527a_100000211400_100000211992 [1,0,0,1,0,0|2,0,0]=4 17650 B13R1.1464 CCNC(=O)N1CCCCCCC1 2708a_100015525214_100000211400 [1,0,0,1,0,0|2,0,0]=4 17651 B13R1.1464 CCNC(=O)N1CCCCCCC1 273464a_100015525214_100000211400 [1,0,0,1,0,0|2,0,0]=4 17652 B13R1.1575 CC#CC(=O)CC1CCCCCC1 1458a_100000763181_200000696569 [1,0,0,1,0,0|1,0,1]=4 17653 B13R1.1575 CC=CC(=O)CC1CCCCCC1 1458a_100000210699_200000696569 [1,0,0,1,0,0|1,0,1]=4 17654 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000211992_200000696569 [1,0,0,1,0,0|1,0,0]=3 17655 B13R1.1575 CCCC(=O)CC1CCCCCC1 1458a_100000685095_100000210303 [1,0,0,1,0,0|1,0,0]=3 17656 B13R1.1575 CCCC(=O)CN1CCCCCC1 1458a_100000740298_100000210303 [1,0,0,1,0,0|2,0,0]=4 17657 B13R1.1575 CCCC(=O)CN1CCCCCC1 2230a_100000185865_100000747444 [1,0,0,1,0,0|2,0,0]=4 17658 B13R1.1575 CCCC(=O)CN1CCCCCC1 269982a_100000185865_100000747444 [1,0,0,1,0,0|2,0,0]=4 17659 B13R1.1575 CCCC(=O)NC1CCCCCC1 11a_100000210984_100000211992 [1,0,0,1,0,0|2,0,0]=4 17660 B13R1.1575 CCCC(=O)NC1CCCCCC1 1626a_100000210984_100000211992 [1,0,0,1,0,0|2,0,0]=4 17661 B13R1.1575 CCCC(=O)NC1CCCCCC1 240690a_100000210984_100000211992 [1,0,0,1,0,0|2,0,0]=4 17662 B13R1.1575 CCCC(=O)NC1CCCCCC1 527a_100000210984_100000211992 [1,0,0,1,0,0|2,0,0]=4 17663 B13R1.1575 CCNC(=O)CC1CCCCCC1 11a_100015525214_100000685095 [1,0,0,1,0,0|1,0,0]=3 17664 B13R1.1575 CCNC(=O)CC1CCCCCC1 240690a_100015525214_100000685095 [1,0,0,1,0,0|1,0,0]=3 17665 B13R1.1575 CCNC(=O)CC1CCCCCC1 527a_100015525214_100000685095 [1,0,0,1,0,0|1,0,0]=3 17666 B13R1.1575 CCNC(=O)CN1CCCCCC1 11a_100015525214_100000740298 [1,0,0,1,0,0|2,0,0]=4 17667 B13R1.1575 CCNC(=O)CN1CCCCCC1 2230a_100000185865_100000183381 [1,0,0,1,0,0|2,0,0]=4 17668 B13R1.1575 CCNC(=O)CN1CCCCCC1 240690a_100015525214_100000740298 [1,0,0,1,0,0|2,0,0]=4 17669 B13R1.1575 CCNC(=O)CN1CCCCCC1 269982a_100000185865_100000183381 [1,0,0,1,0,0|2,0,0]=4 17670 B13R1.1575 CCNC(=O)CN1CCCCCC1 34a_100000185865_100000183381 [1,0,0,1,0,0|2,0,0]=4 17671 B13R1.1575 CCNC(=O)CN1CCCCCC1 527a_100015525214_100000740298 [1,0,0,1,0,0|2,0,0]=4 17672 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100000210984_100015525214 [1,0,0,1,0,0|2,0,0]=4 17673 B13R1.1575 CCNC(=O)NC1CCCCCC1 2708a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 17674 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100000210984_100015525214 [1,0,0,1,0,0|2,0,0]=4 17675 B13R1.1575 CCNC(=O)NC1CCCCCC1 273464a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 17676 B13R1.1575 CCNC(=O)NC1CCCCCC1 512a_100015525214_100000210984 [1,0,0,1,0,0|2,0,0]=4 17677 B13R1.1575 CCOC(=O)CN1CCCCCC1 2230a_100000185865_100000188475 [1,0,0,1,0,0|1,0,0]=3 17678 B13R1.1575 CCOC(=O)CN1CCCCCC1 269982a_100000185865_100000188475 [1,0,0,1,0,0|1,0,0]=3 17679 B13R1.1575 CCOC(=O)CN1CCCCCC1 34a_100000185865_100000188475 [1,0,0,1,0,0|1,0,0]=3 17680 B13R1.1575 CCOC(=O)CN1CCCOCC1 2230a_100000685342_100000188475 [1,0,0,1,0,0|2,0,0]=4 17681 B13R1.1575 CCOC(=O)CN1CCCOCC1 269982a_100000685342_100000188475 [1,0,0,1,0,0|2,0,0]=4 17682 B13R1.1575 CCOC(=O)CN1CCCOCC1 34a_100000685342_100000188475 [1,0,0,1,0,0|2,0,0]=4 17683 B13R1.1575 CNNC(=O)CC1CCCCCC1 22a_100016993582_100000685095 [1,0,0,1,0,0|2,0,0]=4 17684 B13R1.1575 COCC(=O)CC1CCCCCC1 1458a_100000210968_200000696569 [1,0,0,1,0,0|2,0,0]=4 17685 B13R1.1575 CSCC(=O)CC1CCCCCC1 1458a_100000184570_200000696569 [1,0,0,1,0,0|2,0,0]=4 17686 B13R1.1575 O=C(CCF)CC1CCCCCC1 1458a_100000685095_100011217306 [1,0,0,1,0,0|2,0,0]=4 17687 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100000685095_100000211926 [1,0,0,1,0,0|2,0,0]=4 17688 B13R1.1575 O=C(CCO)CC1CCCCCC1 1458a_100011216618_200000696569 [1,0,0,1,0,0|2,0,0]=4 17689 B13R1.3151 CCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210759 [1,0,0,1,0,0|1,0,0]=3 17690 B13R1.3151 CCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210759 [1,0,0,1,0,0|2,0,0]=4 17691 B13R1.3151 CCCCCCCNC(=O)C1CC1 11a_100000229938_100000210395 [1,0,0,1,0,0|2,0,0]=4 17692 B13R1.3151 CCCCCCCNC(=O)C1CC1 1626a_100000229938_100000210395 [1,0,0,1,0,0|2,0,0]=4 17693 B13R1.3151 CCCCCCCNC(=O)C1CC1 240690a_100000229938_100000210395 [1,0,0,1,0,0|2,0,0]=4 17694 B13R1.3151 CCCCCCCNC(=O)C1CC1 527a_100000229938_100000210395 [1,0,0,1,0,0|2,0,0]=4 17695 B13R1.3151 CCCCCCNCC(=O)C1CC1 2230a_100000210581_100000746382 [1,0,0,1,0,0|2,0,0]=4 17696 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000210259_100000746382 [1,0,0,1,0,0|2,0,0]=4 17697 B13R1.3151 CCCCCCOCC(=O)C1CC1 34a_100000686663_100000210314 [1,0,0,1,0,0|2,0,0]=4 17698 B13R1.3151 CCCCCCOCC(=O)C1CC1 7a_100000210259_100000746382 [1,0,0,1,0,0|2,0,0]=4 17699 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000210314_100000746382 [1,0,0,1,0,0|2,0,0]=4 17700 B13R1.3151 CCCCCCSCC(=O)C1CC1 62a_100000746382_100000210757 [1,0,0,1,0,0|2,0,0]=4 17701 B13R1.3151 COCCCCCCC(=O)C1CC1 1458a_100000210395_100011998445 [1,0,0,1,0,0|2,0,0]=4 17702 B13R1.3151 O=C(CCCCCCCO)C1CC1 1458a_100000210395_100000760002 [1,0,0,1,0,0|2,0,0]=4 17703 B13R1.28 CC/C=C\CCNC1CCCCC1 2230a_100000182618_100015370543 [1,0,0,1,0,0|2,0,0]=4 17704 B13R1.28 CC/C=C\CCNC1CCCCC1 34a_100000182618_100015370543 [1,0,0,1,0,0|2,0,0]=4 17705 B13R1.28 CC/C=C\CCOC1CCCCC1 34a_100000210231_100015370543 [1,0,0,1,0,0|2,0,0]=4 17706 B13R1.28 CC/C=C\CCOC1CCCCC1 34a_100016288707_100000210327 [1,0,0,1,0,0|2,0,0]=4 17707 B13R1.28 CC/C=C\CCOC1CCCCC1 7a_100000210231_100015370543 [1,0,0,1,0,0|2,0,0]=4 17708 B13R1.28 CC/C=C\CCOC1CCCCC1 7a_100016288707_100000210327 [1,0,0,1,0,0|2,0,0]=4 17709 B13R1.28 CC/C=C\CCSC1CCCCC1 62a_100000210327_100015370543 [1,0,0,1,0,0|2,0,0]=4 17710 B13R1.28 CC/C=C\CCSC1CCCCC1 62a_100015370543_100000210327 [1,0,0,1,0,0|2,0,0]=4 17711 B13R1.28 CC/C=C\CNCC1CCCCC1 2230a_100000210473_100103147603 [1,0,0,1,0,0|2,0,0]=4 17712 B13R1.28 CC/C=C\CNCC1CCCCC1 34a_100000210473_100103147603 [1,0,0,1,0,0|2,0,0]=4 17713 B13R1.28 CC/C=C\COCC1CCCCC1 34a_100000212181_100103147603 [1,0,0,1,0,0|2,0,0]=4 17714 B13R1.28 CC/C=C\COCC1CCCCC1 34a_100016268518_100000211423 [1,0,0,1,0,0|2,0,0]=4 17715 B13R1.28 CC/C=C\COCC1CCCCC1 7a_100000212181_100103147603 [1,0,0,1,0,0|2,0,0]=4 17716 B13R1.28 CC/C=C\CSCC1CCCCC1 62a_100000211423_100103147603 [1,0,0,1,0,0|2,0,0]=4 17717 B13R1.28 CC/C=C\CSCC1CCCCC1 62a_100103147603_100000211423 [1,0,0,1,0,0|2,0,0]=4 17718 B13R1.28 CCCCCCCN1CC=CCC1 2230a_100000698166_100000210681 [1,0,0,1,0,0|2,0,0]=4 17719 B13R1.28 CCCCCCCN1CC=CCC1 269982a_100000698166_100000210681 [1,0,0,1,0,0|2,0,0]=4 17720 B13R1.28 CCCCCCCN1CC=CCC1 34a_100000698166_100000210614 [1,0,0,1,0,0|2,0,0]=4 17721 B13R1.28 CCCCCCCN1CCOCC1 2230a_100015191051_100000210681 [1,0,0,1,0,0|1,0,1]=4 17722 B13R1.28 CCCCCCCN1CCOCC1 269982a_100015191051_100000210681 [1,0,0,1,0,0|1,0,1]=4 17723 B13R1.28 CCCCCCCN1CCOCC1 34a_100015191051_100000210614 [1,0,0,1,0,0|1,0,1]=4 17724 B13R1.28 CCCCCCNC1CCOCC1 2230a_100000741149_100000210314 [1,0,0,1,0,0|1,0,1]=4 17725 B13R1.28 CCCCCCNC1CCOCC1 270004a_100000210581_100011217826 [1,0,0,1,0,0|1,0,1]=4 17726 B13R1.28 CCCCCCNC1CCOCC1 34a_100000741149_100000210314 [1,0,0,1,0,0|1,0,1]=4 17727 B13R1.28 CCCCCCOC1CC=CCC1 34a_100000073881_100000210314 [1,0,0,1,0,0|2,0,0]=4 17728 B13R1.28 CCCCCCOC1CCOCC1 34a_100000744328_100000210314 [1,0,0,1,0,0|1,0,1]=4 17729 B13R1.28 CCCCCCOC1CCOCC1 7a_100000210259_100000686592 [1,0,0,1,0,0|1,0,1]=4 17730 B13R1.28 CCCCCCSC1CCOCC1 62a_100000210314_100011324220 [1,0,0,1,0,0|1,0,1]=4 17731 B13R1.28 CCCCCNCC1CC=CCC1 270004a_100000209983_100000189434 [1,0,0,1,0,0|2,0,0]=4 17732 B13R1.28 CCCCCNCC1CCOCC1 2230a_100000209983_100000754603 [1,0,0,1,0,0|1,0,1]=4 17733 B13R1.28 CCCCCNCC1CCOCC1 2230a_100000746373_100000210326 [1,0,0,1,0,0|1,0,1]=4 17734 B13R1.28 CCCCCNCC1CCOCC1 269862a_100000209983_100000749017 [1,0,0,1,0,0|1,0,1]=4 17735 B13R1.28 CCCCCNCC1CCOCC1 34a_100000746373_100000718602 [1,0,0,1,0,0|1,0,1]=4 17736 B13R1.28 CCCCCOCC1CC=CCC1 34a_100000210713_100000718602 [1,0,0,1,0,0|2,0,0]=4 17737 B13R1.28 CCCCCOCC1CCOCC1 34a_100000210253_100000754603 [1,0,0,1,0,0|1,0,1]=4 17738 B13R1.28 CCCCCOCC1CCOCC1 34a_100000749013_100000718602 [1,0,0,1,0,0|1,0,1]=4 17739 B13R1.28 CCCCCOCC1CCOCC1 7a_100000210253_100000754603 [1,0,0,1,0,0|1,0,1]=4 17740 B13R1.28 CCCCCSCC1CCOCC1 62a_100000210326_100000749018 [1,0,0,1,0,0|1,0,1]=4 17741 B13R1.28 CCCCCSCC1CCOCC1 62a_100000754603_100000210326 [1,0,0,1,0,0|1,0,1]=4 17742 B13R1.28 CCCCNCCC1CCOCC1 2230a_100000102301_100011934994 [1,0,0,1,0,0|1,0,1]=4 17743 B13R1.28 CCCCNCCC1CCOCC1 2230a_100000755988_100000210211 [1,0,0,1,0,0|1,0,1]=4 17744 B13R1.28 CCCCNCCC1CCOCC1 34a_100000755988_100000210210 [1,0,0,1,0,0|1,0,1]=4 17745 B13R1.28 CCCCNCCC1CCOCC1 7a_106832991798_100011934994 [1,0,0,1,0,0|1,0,1]=4 17746 B13R1.28 CCCCOCCC1CCOCC1 34a_100000210227_100011934994 [1,0,0,1,0,0|1,0,1]=4 17747 B13R1.28 CCCCOCCC1CCOCC1 34a_100011933979_100000210210 [1,0,0,1,0,0|1,0,1]=4 17748 B13R1.28 CCCCOCCC1CCOCC1 7a_100000210227_100011934994 [1,0,0,1,0,0|1,0,1]=4 17749 B13R1.28 CCCCOCCC1CCOCC1 7a_100011933979_100000210211 [1,0,0,1,0,0|1,0,1]=4 17750 B13R1.28 CCCCSCCC1CCOCC1 62a_100000210211_100011934994 [1,0,0,1,0,0|1,0,1]=4 17751 B13R1.28 CCCCSCCC1CCOCC1 62a_100011934994_100000210210 [1,0,0,1,0,0|1,0,1]=4 17752 B13R1.28 CCCNCCCC1CCCCC1 2230a_100011211642_100000210303 [1,0,0,1,0,0|2,0,0]=4 17753 B13R1.28 CCCNCCCC1CCCCC1 34a_100011211642_100000210303 [1,0,0,1,0,0|2,0,0]=4 17754 B13R1.28 CCCOCCCC1CCCCC1 34a_100000198086_100000210303 [1,0,0,1,0,0|2,0,0]=4 17755 B13R1.28 CCCOCCCC1CCCCC1 34a_100000210258_100011713725 [1,0,0,1,0,0|2,0,0]=4 17756 B13R1.28 CCCOCCCC1CCCCC1 7a_100000198086_100000210303 [1,0,0,1,0,0|2,0,0]=4 17757 B13R1.28 CCCSCCCC1CCCCC1 62a_100000210303_100011713725 [1,0,0,1,0,0|2,0,0]=4 17758 B13R1.28 CCCSCCCC1CCCCC1 62a_100011713725_100000210303 [1,0,0,1,0,0|2,0,0]=4 17759 B13R1.28 CCOCCCCC1CCCCC1 34a_100011215267_100000210202 [1,0,0,1,0,0|0,0,1]=3 17760 B13R1.28 CCOCCCCC1CCCCC1 7a_100011215267_100000210202 [1,0,0,1,0,0|0,0,1]=3 17761 B13R1.28 CCOCCCCC1CCNCC1 34a_100016989291_100000210202 [1,0,0,1,0,0|1,0,1]=4 17762 B13R1.28 CCOCCCNC1CCCCC1 2230a_100000182618_100012232248 [1,0,0,1,0,0|1,0,1]=4 17763 B13R1.28 CCOCCCNC1CCCCC1 270004a_100000210961_100000210434 [1,0,0,1,0,0|1,0,1]=4 17764 B13R1.28 CCOCCCNC1CCCCC1 34a_100000182618_100012232248 [1,0,0,1,0,0|1,0,1]=4 17765 B13R1.28 CCOCCCNC1CCCCC1 34a_100000210961_100000210327 [1,0,0,1,0,0|1,0,1]=4 17766 B13R1.28 CCOCCCOC1CCCCC1 34a_100000210231_100012232248 [1,0,0,1,0,0|1,0,1]=4 17767 B13R1.28 CCOCCCOC1CCCCC1 34a_100000757476_100000210327 [1,0,0,1,0,0|1,0,1]=4 17768 B13R1.28 CCOCCCOC1CCCCC1 7a_100000210231_100012232248 [1,0,0,1,0,0|1,0,1]=4 17769 B13R1.28 CCOCCCOC1CCCCC1 7a_100000757476_100000210327 [1,0,0,1,0,0|1,0,1]=4 17770 B13R1.28 CCOCCCSC1CCCCC1 62a_100000210327_100012232248 [1,0,0,1,0,0|1,0,1]=4 17771 B13R1.28 CCOCCCSC1CCCCC1 62a_100012232248_100000210327 [1,0,0,1,0,0|1,0,1]=4 17772 B13R1.28 CCOCCNCC1CCCCC1 2230a_100000210473_100011215890 [1,0,0,1,0,0|1,0,1]=4 17773 B13R1.28 CCOCCNCC1CCCCC1 2230a_102516460346_100000211423 [1,0,0,1,0,0|1,0,1]=4 17774 B13R1.28 CCOCCNCC1CCCCC1 269862a_100011200944_100000211278 [1,0,0,1,0,0|1,0,1]=4 17775 B13R1.28 CCOCCNCC1CCCCC1 34a_100000210473_100000210147 [1,0,0,1,0,0|1,0,1]=4 17776 B13R1.28 CCOCCNCC1CCCCC1 34a_102516460346_100000211423 [1,0,0,1,0,0|1,0,1]=4 17777 B13R1.28 CCOCCOCC1CCCCC1 34a_100000210136_100000211423 [1,0,0,1,0,0|1,0,1]=4 17778 B13R1.28 CCOCCOCC1CCCCC1 34a_100000212181_100000210147 [1,0,0,1,0,0|1,0,1]=4 17779 B13R1.28 CCOCCOCC1CCCCC1 7a_100000210136_100000211423 [1,0,0,1,0,0|1,0,1]=4 17780 B13R1.28 CCOCCOCC1CCCCC1 7a_100000212181_100011215890 [1,0,0,1,0,0|1,0,1]=4 17781 B13R1.28 CCOCCSCC1CCCCC1 62a_100000210147_100000211423 [1,0,0,1,0,0|1,0,1]=4 17782 B13R1.28 CCOCCSCC1CCCCC1 62a_100000211423_100011215890 [1,0,0,1,0,0|1,0,1]=4 17783 B13R1.28 CCOCSCCC1CCCCC1 62a_100000739092_100012355289 [1,0,0,1,0,0|1,0,1]=4 17784 B13R1.28 CCOCSCCC1CCCCC1 62a_100012355289_100000739092 [1,0,0,1,0,0|1,0,1]=4 17785 B13R1.28 FCOCCCCC1CCCCC1 34a_100011215267_100015361967 [1,0,0,1,0,0|1,0,1]=4 17786 B13R1.28 FCOCCCCC1CCCCC1 7a_100011215267_100015361967 [1,0,0,1,0,0|1,0,1]=4 17787 B13R1.84 CC/C=C\CN1CCCCC1CC 2230a_100000210034_100103147603 [1,0,0,1,0,0|2,0,0]=4 17788 B13R1.84 CC/C=C\CN1CCCCC1CC 269982a_100000210034_100103147603 [1,0,0,1,0,0|2,0,0]=4 17789 B13R1.84 CC/C=C\CN1CCCCC1CC 34a_100000210034_100103147603 [1,0,0,1,0,0|2,0,0]=4 17790 B13R1.84 CCOCCN1CCCCC1CC 2230a_100000210034_100011215890 [1,0,0,1,0,0|1,0,1]=4 17791 B13R1.84 CCOCCN1CCCCC1CC 269982a_100000210034_100011215890 [1,0,0,1,0,0|1,0,1]=4 17792 B13R1.84 CCOCCN1CCCCC1CC 34a_100000210034_100000210147 [1,0,0,1,0,0|1,0,1]=4 17793 B13R1.137 CC/C=C\CCN1CCCC1CC 2230a_100000754278_100015370543 [1,0,0,1,0,0|2,0,0]=4 17794 B13R1.137 CC/C=C\CCN1CCCC1CC 269982a_100000754278_100015370543 [1,0,0,1,0,0|2,0,0]=4 17795 B13R1.137 CC/C=C\CCN1CCCC1CC 34a_100000754278_100015370543 [1,0,0,1,0,0|2,0,0]=4 17796 B13R1.137 CCOCCCN1CCCC1CC 2230a_100000754278_100012232248 [1,0,0,1,0,0|1,0,1]=4 17797 B13R1.137 CCOCCCN1CCCC1CC 269982a_100000754278_100012232248 [1,0,0,1,0,0|1,0,1]=4 17798 B13R1.137 CCOCCCN1CCCC1CC 34a_100000754278_100012232248 [1,0,0,1,0,0|1,0,1]=4 17799 B13R1.137 CCOCCNC1CCCC1CC 269862a_100011200944_100000749056 [1,0,0,1,0,0|1,0,1]=4 17800 B13R1.137 CCOCCNC1CCCC1CC 270004a_102516460346_100000749056 [1,0,0,1,0,0|1,0,1]=4 17801 B13R1.485 CCCC1CCCCN1COCC 269982a_100000701414_100000739092 [1,0,0,1,0,0|1,0,1]=4 17802 B13R1.485 CCCNC1CCCCC1CCC 269862a_100020643023_100011218038 [1,0,0,1,0,0|2,0,0]=4 17803 B13R1.485 CCCNC1CCCCC1CCC 270004a_100020643023_100011218038 [1,0,0,1,0,0|2,0,0]=4 17804 B13R1.485 CCCNC1CCCCC1OCC 270004a_100020643023_200000031474 [1,0,0,1,0,0|1,0,1]=4 17805 B13R1.485 CCCOC1CCCCC1CCC 34a_100011217265_100000210303 [1,0,0,1,0,0|2,0,0]=4 17806 B13R1.485 CCCOC1CCCCC1CCC 7a_100011217265_100000210303 [1,0,0,1,0,0|2,0,0]=4 17807 B13R1.489 CCCNC1CCCCCCCC1 270004a_100020643023_100000038600 [1,0,0,1,0,0|2,0,0]=4 17808 B13R1.489 CCOCN1CCCCCCCC1 269982a_100000039187_100000739092 [1,0,0,1,0,0|1,0,1]=4 17809 B13R1.555 CC/C=C\CCN1CCCCC1C 2230a_100000211376_100015370543 [1,0,0,1,0,0|2,0,0]=4 17810 B13R1.555 CC/C=C\CCN1CCCCC1C 269982a_100000211376_100015370543 [1,0,0,1,0,0|2,0,0]=4 17811 B13R1.555 CC/C=C\CCN1CCCCC1C 34a_100000211376_100015370543 [1,0,0,1,0,0|2,0,0]=4 17812 B13R1.555 CC/C=C\CNC1CCCCC1C 2230a_100000211402_100103147603 [1,0,0,1,0,0|2,0,0]=4 17813 B13R1.555 CC/C=C\CNC1CCCCC1C 34a_100000211402_100103147603 [1,0,0,1,0,0|2,0,0]=4 17814 B13R1.555 CC/C=C\COC1CCCCC1C 34a_100000211207_100103147603 [1,0,0,1,0,0|2,0,0]=4 17815 B13R1.555 CC/C=C\COC1CCCCC1C 7a_100000211207_100103147603 [1,0,0,1,0,0|2,0,0]=4 17816 B13R1.555 CCOCCCN1CCCCC1C 2230a_100000211376_100012232248 [1,0,0,1,0,0|1,0,1]=4 17817 B13R1.555 CCOCCCN1CCCCC1C 269982a_100000211376_100012232248 [1,0,0,1,0,0|1,0,1]=4 17818 B13R1.555 CCOCCCN1CCCCC1C 34a_100000211376_100012232248 [1,0,0,1,0,0|1,0,1]=4 17819 B13R1.555 CCOCCCN1CCCCC1C 34a_100000213889_100000210202 [1,0,0,1,0,0|1,0,1]=4 17820 B13R1.555 CCOCCCN1CCCCC1C 7a_100000213889_100000210202 [1,0,0,1,0,0|1,0,1]=4 17821 B13R1.555 CCOCCNC1CCCCC1C 2230a_100000211402_100011215890 [1,0,0,1,0,0|1,0,1]=4 17822 B13R1.555 CCOCCNC1CCCCC1C 269862a_100011200944_100000210921 [1,0,0,1,0,0|1,0,1]=4 17823 B13R1.555 CCOCCNC1CCCCC1C 270004a_102516460346_100000210921 [1,0,0,1,0,0|1,0,1]=4 17824 B13R1.555 CCOCCNC1CCCCC1C 34a_100000211402_100000210147 [1,0,0,1,0,0|1,0,1]=4 17825 B13R1.555 CCOCCOC1CCCCC1C 34a_100000211207_100000210147 [1,0,0,1,0,0|1,0,1]=4 17826 B13R1.555 CCOCCOC1CCCCC1C 7a_100000211207_100011215890 [1,0,0,1,0,0|1,0,1]=4 17827 B13R1.560 CC/C=C/CCCOCC1CCC1 34a_100016287902_100000763275 [1,0,0,1,0,0|2,0,0]=4 17828 B13R1.560 CC/C=C/CCCOCC1CCC1 7a_100016287902_100000763275 [1,0,0,1,0,0|2,0,0]=4 17829 B13R1.560 CC/C=C\CCCCOC1CCC1 34a_100016287862_100000749161 [1,0,0,1,0,0|2,0,0]=4 17830 B13R1.560 CCCCCCCCCN1CCC1 269982a_100000754969_100000210670 [1,0,0,1,0,0|2,0,0]=4 17831 B13R1.560 CCCCCCCNCC1CCO1 2230a_100000229938_100000103362 [1,0,0,1,0,0|1,0,1]=4 17832 B13R1.560 CCCCCCCNC[C@@H]1CCO1 2230a_100020831831_100000210681 [1,0,0,1,0,0|1,0,1]=4 17833 B13R1.560 CCCCCCCNC[C@@H]1CCO1 34a_100020831831_100000210614 [1,0,0,1,0,0|1,0,1]=4 17834 B13R1.560 CCCCCCCOCC1CCO1 34a_100000039022_100000210614 [1,0,0,1,0,0|1,0,1]=4 17835 B13R1.560 CCCCCCCOCC1CCO1 34a_100000210272_100000103362 [1,0,0,1,0,0|1,0,1]=4 17836 B13R1.560 CCCCCCCOCC1CCO1 7a_100000210272_100000103362 [1,0,0,1,0,0|1,0,1]=4 17837 B13R1.560 CCCCCCCSCC1CCO1 62a_100000103362_100000210316 [1,0,0,1,0,0|1,0,1]=4 17838 B13R1.560 CCCCCCCSCC1CCO1 62a_100000210614_100000103362 [1,0,0,1,0,0|1,0,1]=4 17839 B13R1.579 CCCCC1CCCC1NCCC 269862a_100020643023_100000750825 [1,0,0,1,0,0|2,0,0]=4 17840 B13R1.579 CCCCC1CCCC1NCCC 270004a_100020643023_100000750825 [1,0,0,1,0,0|2,0,0]=4 17841 B13R1.659 CC/C=C/CCCOCCC1CC1 34a_100016287902_100000694398 [1,0,0,1,0,0|2,0,0]=4 17842 B13R1.659 CC/C=C/CCCOCCC1CC1 7a_100016287902_100000764125 [1,0,0,1,0,0|2,0,0]=4 17843 B13R1.659 CC/C=C\CCCCCOC1CC1 34a_100016268722_100000211595 [1,0,0,1,0,0|2,0,0]=4 17844 B13R1.659 CC/C=C\CCCCOCC1CC1 34a_100016287862_100000742324 [1,0,0,1,0,0|2,0,0]=4 17845 B13R1.659 CC/C=C\CCCCOCC1CC1 7a_100016287862_100000742324 [1,0,0,1,0,0|2,0,0]=4 17846 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212008_100011214924 [1,0,0,1,0,0|2,0,0]=4 17847 B13R1.659 CCCCCCCCCNC1CC1 34a_100000212291_100000211595 [1,0,0,1,0,0|2,0,0]=4 17848 B13R1.659 CCCCCCCCCOC1CC1 34a_100000210712_100000211595 [1,0,0,1,0,0|2,0,0]=4 17849 B13R1.671 CCCCCC1CCCC1NCC 269862a_100015525214_200000198059 [1,0,0,1,0,0|1,0,1]=4 17850 B13R1.671 CCCCCC1CCCC1NCC 270004a_100015525214_200000198059 [1,0,0,1,0,0|1,0,1]=4 17851 B13R1.1150 CC/C=C\CN1CCCCCCC1 2230a_100000211400_100103147603 [1,0,0,1,0,0|2,0,0]=4 17852 B13R1.1150 CC/C=C\CN1CCCCCCC1 269982a_100000211400_100103147603 [1,0,0,1,0,0|2,0,0]=4 17853 B13R1.1150 CC/C=C\CN1CCCCCCC1 34a_100000211400_100103147603 [1,0,0,1,0,0|2,0,0]=4 17854 B13R1.1150 CCCCNC1CC/C=C\CCC1 7a_106832991798_100021000466 [1,0,0,1,0,0|2,0,0]=4 17855 B13R1.1150 CCCCOC1CC/C=C\CCC1 34a_100000210227_100021000466 [1,0,0,1,0,0|2,0,0]=4 17856 B13R1.1150 CCCCOC1CC/C=C\CCC1 34a_100016989180_100000210210 [1,0,0,1,0,0|2,0,0]=4 17857 B13R1.1150 CCCCOC1CC/C=C\CCC1 7a_100000210227_100021000466 [1,0,0,1,0,0|2,0,0]=4 17858 B13R1.1150 CCCCSC1CC/C=C\CCC1 62a_100000210211_100021000466 [1,0,0,1,0,0|2,0,0]=4 17859 B13R1.1150 CCCCSC1CC/C=C\CCC1 62a_100021000466_100000210210 [1,0,0,1,0,0|2,0,0]=4 17860 B13R1.1150 CCCNCC1CC/C=C\CCC1 2230a_100102730862_100000210303 [1,0,0,1,0,0|2,0,0]=4 17861 B13R1.1150 CCCNCC1CC/C=C\CCC1 34a_100102730862_100000210303 [1,0,0,1,0,0|2,0,0]=4 17862 B13R1.1150 CCCOCC1CCCCCCC1 34a_100011216312_100000210303 [1,0,0,1,0,0|2,0,0]=4 17863 B13R1.1150 CCCOCC1CCCCCCC1 7a_100011216312_100000210303 [1,0,0,1,0,0|2,0,0]=4 17864 B13R1.1150 CCNCCC1CCCCCCC1 2230a_100011532352_100000210202 [1,0,0,1,0,0|1,0,1]=4 17865 B13R1.1150 CCNCCC1CCCCCCC1 34a_100011532352_100000210202 [1,0,0,1,0,0|1,0,1]=4 17866 B13R1.1150 CCOCCN1CCCCCCC1 2230a_100000211400_100011215890 [1,0,0,1,0,0|1,0,1]=4 17867 B13R1.1150 CCOCCN1CCCCCCC1 269982a_100000211400_100011215890 [1,0,0,1,0,0|1,0,1]=4 17868 B13R1.1150 CCOCCN1CCCCCCC1 34a_100000211400_100000210147 [1,0,0,1,0,0|1,0,1]=4 17869 B13R1.1887 CC/C=C\CCN1CCCCCC1 2230a_100000185865_100015370543 [1,0,0,1,0,0|2,0,0]=4 17870 B13R1.1887 CC/C=C\CCN1CCCCCC1 269982a_100000185865_100015370543 [1,0,0,1,0,0|2,0,0]=4 17871 B13R1.1887 CC/C=C\CCN1CCCCCC1 34a_100000185865_100015370543 [1,0,0,1,0,0|2,0,0]=4 17872 B13R1.1887 CC/C=C\CNC1CCCCCC1 2230a_100000210984_100103147603 [1,0,0,1,0,0|2,0,0]=4 17873 B13R1.1887 CC/C=C\CNC1CCCCCC1 34a_100000210984_100103147603 [1,0,0,1,0,0|2,0,0]=4 17874 B13R1.1887 CC/C=C\COC1CCCCCC1 34a_100000210887_100103147603 [1,0,0,1,0,0|2,0,0]=4 17875 B13R1.1887 CC/C=C\COC1CCCCCC1 34a_100016268518_100011217769 [1,0,0,1,0,0|2,0,0]=4 17876 B13R1.1887 CC/C=C\COC1CCCCCC1 7a_100000210887_100103147603 [1,0,0,1,0,0|2,0,0]=4 17877 B13R1.1887 CC/C=C\CSC1CCCCCC1 62a_100011217769_100103147603 [1,0,0,1,0,0|2,0,0]=4 17878 B13R1.1887 CC/C=C\CSC1CCCCCC1 62a_100103147603_100011217769 [1,0,0,1,0,0|2,0,0]=4 17879 B13R1.1887 CCCCCCN1CCCOCC1 2230a_100000685342_100000210314 [1,0,0,1,0,0|1,0,1]=4 17880 B13R1.1887 CCCCCCN1CCCOCC1 269982a_100000685342_100000210757 [1,0,0,1,0,0|1,0,1]=4 17881 B13R1.1887 CCCCCCN1CCCOCC1 34a_100000685342_100000210314 [1,0,0,1,0,0|1,0,1]=4 17882 B13R1.1887 CCCNCCC1CCCCCC1 2230a_100011532351_100000210303 [1,0,0,1,0,0|2,0,0]=4 17883 B13R1.1887 CCCNCCC1CCCCCC1 34a_100011532351_100000210303 [1,0,0,1,0,0|2,0,0]=4 17884 B13R1.1887 CCOCCCN1CCCCCC1 2230a_100000185865_100012232248 [1,0,0,1,0,0|1,0,1]=4 17885 B13R1.1887 CCOCCCN1CCCCCC1 269982a_100000185865_100012232248 [1,0,0,1,0,0|1,0,1]=4 17886 B13R1.1887 CCOCCCN1CCCCCC1 34a_100000185865_100012232248 [1,0,0,1,0,0|1,0,1]=4 17887 B13R1.1887 CCOCCCN1CCCCCC1 34a_100102886287_100000210202 [1,0,0,1,0,0|1,0,1]=4 17888 B13R1.1887 CCOCCCN1CCCCCC1 7a_100102886287_100000210202 [1,0,0,1,0,0|1,0,1]=4 17889 B13R1.1887 CCOCCNC1CCCCCC1 2230a_100000210984_100011215890 [1,0,0,1,0,0|1,0,1]=4 17890 B13R1.1887 CCOCCNC1CCCCCC1 270004a_102516460346_100000210131 [1,0,0,1,0,0|1,0,1]=4 17891 B13R1.1887 CCOCCNC1CCCCCC1 34a_100000210984_100000210147 [1,0,0,1,0,0|1,0,1]=4 17892 B13R1.1887 CCOCCNC1CCCCCC1 34a_102516460346_100011217769 [1,0,0,1,0,0|1,0,1]=4 17893 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210136_100011217769 [1,0,0,1,0,0|1,0,1]=4 17894 B13R1.1887 CCOCCOC1CCCCCC1 34a_100000210887_100000210147 [1,0,0,1,0,0|1,0,1]=4 17895 B13R1.1887 CCOCCOC1CCCCCC1 7a_100000210887_100011215890 [1,0,0,1,0,0|1,0,1]=4 17896 B13R1.1887 CCOCCSC1CCCCCC1 62a_100000210147_100011217769 [1,0,0,1,0,0|1,0,1]=4 17897 B13R1.1887 CCOCCSC1CCCCCC1 62a_100011217769_100011215890 [1,0,0,1,0,0|1,0,1]=4 17898 B13R1.1887 CCOCSCC1CCCCCC1 62a_100000739092_200000696569 [1,0,0,1,0,0|1,0,1]=4 17899 B13R1.1887 CCOCSCC1CCCCCC1 62a_200000696569_100000739092 [1,0,0,1,0,0|1,0,1]=4 17900 B13R1.9 C=C1CCC(CC1)COCCCC 34a_100000074039_100000210210 [1,0,0,1,0,0|2,0,0]=4 17901 B13R1.9 C=C1CCC(CC1)NCCCCC 270004a_100000209983_100010272673 [1,0,0,1,0,0|2,0,0]=4 17902 B13R1.9 C=C1CCN(CC1)CCCCCC 2230a_100000752442_100000210314 [1,0,0,1,0,0|2,0,0]=4 17903 B13R1.9 C=C1CCN(CC1)CCCCCC 269982a_100000752442_100000210757 [1,0,0,1,0,0|2,0,0]=4 17904 B13R1.9 C=C1CCN(CC1)CCCCCC 34a_100000752442_100000210314 [1,0,0,1,0,0|2,0,0]=4 17905 B13R1.9 CCCCCCN1CCS(=O)CC1 2230a_100000752083_100000210314 [1,0,0,1,0,0|2,0,0]=4 17906 B13R1.9 CCCCCCN1CCS(=O)CC1 269982a_100000752083_100000210757 [1,0,0,1,0,0|2,0,0]=4 17907 B13R1.9 CCCCCNC1CCC(=O)NC1 2230a_100000748762_100000210326 [1,0,0,1,0,0|2,0,0]=4 17908 B13R1.9 CCCCCNC1CCC(=O)NC1 34a_100000748762_100000718602 [1,0,0,1,0,0|2,0,0]=4 17909 B13R1.9 CCCCCOC1CCC(=O)CC1 34a_100000764474_100000718602 [1,0,0,1,0,0|1,0,0]=3 17910 B13R1.9 CCCCCOC1CCC(=O)CC1 7a_100000764474_100000210326 [1,0,0,1,0,0|1,0,0]=3 17911 B13R1.9 CCCCCOC1CCC(=O)NC1 34a_100000079199_100000718602 [1,0,0,1,0,0|2,0,0]=4 17912 B13R1.9 CCCCOCC1CCC(=O)CC1 34a_100000062911_100000210210 [1,0,0,1,0,0|1,0,0]=3 17913 B13R1.9 CCOCCOC1CCC(=O)CC1 34a_100000764474_100000210147 [1,0,0,1,0,0|2,0,0]=4 17914 B13R1.9 CCOCCOC1CCC(=O)CC1 7a_100000764474_100011215890 [1,0,0,1,0,0|2,0,0]=4 17915 B13R1.9 CCSCCOC1CCC(=O)CC1 34a_100000764474_100000757381 [1,0,0,1,0,0|2,0,0]=4 17916 B13R1.9 CCSCCOC1CCC(=O)CC1 7a_100000764474_100000757381 [1,0,0,1,0,0|2,0,0]=4 17917 B13R1.9 COCCCOC1CCC(=O)CC1 34a_100000764474_100000740836 [1,0,0,1,0,0|2,0,0]=4 17918 B13R1.9 COCCCOC1CCC(=O)CC1 7a_100000764474_100000740836 [1,0,0,1,0,0|2,0,0]=4 17919 B13R1.9 COCCOCC1CCC(=O)CC1 34a_100000062911_100011201679 [1,0,0,1,0,0|2,0,0]=4 17920 B13R1.9 CSCCOCC1CCC(=O)CC1 34a_100000062911_100000212216 [1,0,0,1,0,0|2,0,0]=4 17921 B13R1.9 O=C1CCC(CC1)COCCCF 34a_100000062911_100011934791 [1,0,0,1,0,0|2,0,0]=4 17922 B13R1.9 O=C1CCC(CC1)COCCCO 34a_100000062911_100000230001 [1,0,0,1,0,0|2,0,0]=4 17923 B13R1.9 O=C1CCC(CC1)OCCCCF 34a_100000764474_100000729493 [1,0,0,1,0,0|2,0,0]=4 17924 B13R1.9 O=C1CCC(CC1)OCCCCF 7a_100000764474_100000729493 [1,0,0,1,0,0|2,0,0]=4 17925 B13R1.9 O=C1CCC(CC1)OCCCCO 34a_100000764474_100011216708 [1,0,0,1,0,0|2,0,0]=4 17926 B13R1.9 O=C1CCC(CC1)OCCCCO 7a_100000764474_100000210776 [1,0,0,1,0,0|2,0,0]=4 17927 B13R1.16 CCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210326 [1,0,0,1,0,0|2,0,0]=4 17928 B13R1.16 CCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210215 [1,0,0,1,0,0|2,0,0]=4 17929 B13R1.16 CCCCCN1CCNC(=O)C1C 34a_100000750721_100000718602 [1,0,0,1,0,0|2,0,0]=4 17930 B13R1.16 CCCNCC1CCCC(=O)N1C 2230a_200010383782_100000210303 [1,0,0,1,0,0|2,0,0]=4 17931 B13R1.16 CCCNCC1CCCC(=O)N1C 34a_200010383782_100000210303 [1,0,0,1,0,0|2,0,0]=4 17932 B13R1.27 CCCCCCCN1CNC(=O)C1 2230a_200000708111_100000210681 [1,0,0,1,0,0|2,0,0]=4 17933 B13R1.27 CCCCCCNC1CNC(=O)C1 2230a_100000697751_100000210314 [1,0,0,1,0,0|2,0,0]=4 17934 B13R1.27 CCCCCCOC1CCC(=O)C1 34a_100012614533_100000210314 [1,0,0,1,0,0|1,0,0]=3 17935 B13R1.27 CCCCCCOC1CNC(=O)C1 34a_100000690082_100000210314 [1,0,0,1,0,0|2,0,0]=4 17936 B13R1.27 CCCCCCOC1COC(=O)O1 34a_100000210259_100000032252 [1,0,0,1,0,0|2,0,0]=4 17937 B13R1.27 CCCCCCSC1COC(=O)O1 62a_100000210314_100000032252 [1,0,0,1,0,0|2,0,0]=4 17938 B13R1.27 CCCCCNCC1CNC(=O)C1 2230a_100016993742_100000210326 [1,0,0,1,0,0|2,0,0]=4 17939 B13R1.27 CCCCCNCC1CNC(=O)C1 34a_100016993742_100000718602 [1,0,0,1,0,0|2,0,0]=4 17940 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 2230a_100000209983_100015189358 [1,0,0,1,0,0|2,0,0]=4 17941 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210326 [1,0,0,1,0,0|2,0,0]=4 17942 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 34a_100015423886_100000718602 [1,0,0,1,0,0|2,0,0]=4 17943 B13R1.27 CCCCCNC[C@H]1COC(=O)N1 2230a_100000209983_100015307671 [1,0,0,1,0,0|2,0,0]=4 17944 B13R1.27 CCCCCOCC1CCC(=O)N1 34a_100000737831_100000718602 [1,0,0,1,0,0|2,0,0]=4 17945 B13R1.27 CCCCCOCC1CNC(=O)C1 34a_100016041077_100000718602 [1,0,0,1,0,0|2,0,0]=4 17946 B13R1.27 CCCCCOCC1COC(=O)O1 34a_100000210253_100000073702 [1,0,0,1,0,0|2,0,0]=4 17947 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 7a_100000210253_100015189358 [1,0,0,1,0,0|2,0,0]=4 17948 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 34a_100000210253_100015307671 [1,0,0,1,0,0|2,0,0]=4 17949 B13R1.27 CCCCCOC[C@H]1COC(=O)N1 7a_100000210253_100015307671 [1,0,0,1,0,0|2,0,0]=4 17950 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000073702_100000210326 [1,0,0,1,0,0|2,0,0]=4 17951 B13R1.27 CCCCCSCC1COC(=O)O1 62a_100000210326_100000073702 [1,0,0,1,0,0|2,0,0]=4 17952 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100000210326_100015189358 [1,0,0,1,0,0|2,0,0]=4 17953 B13R1.27 CCCCCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210326 [1,0,0,1,0,0|2,0,0]=4 17954 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100000210326_100015307671 [1,0,0,1,0,0|2,0,0]=4 17955 B13R1.27 CCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210326 [1,0,0,1,0,0|2,0,0]=4 17956 B13R1.27 CCCCOCOC1CCC(=O)C1 34a_100012614533_100011995733 [1,0,0,1,0,0|2,0,0]=4 17957 B13R1.27 CCCOCCOC1CCC(=O)C1 34a_100012614533_100011215938 [1,0,0,1,0,0|2,0,0]=4 17958 B13R1.27 CCOCCCOC1CCC(=O)C1 34a_100012614533_100012232248 [1,0,0,1,0,0|2,0,0]=4 17959 B13R1.27 COCCCCOC1CCC(=O)C1 34a_100012614533_100000755781 [1,0,0,1,0,0|2,0,0]=4 17960 B13R1.27 O=C1CCC(C1)OCCCCCF 34a_100012614533_100000729378 [1,0,0,1,0,0|2,0,0]=4 17961 B13R1.27 O=C1CCC(C1)OCCCCCO 34a_100012614533_100000746330 [1,0,0,1,0,0|2,0,0]=4 17962 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [1,0,0,1,0,0|1,0,0]=3 17963 B13R1.91 CCC(=O)CN1CCCCC1CO 269982a_100000210821_100000747405 [1,0,0,1,0,0|2,0,0]=4 17964 B13R1.91 CCC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_100000747405 [1,0,0,1,0,0|2,0,0]=4 17965 B13R1.91 CCC(=O)NC1CCCCC1OC 11a_100011208099_100000210414 [1,0,0,1,0,0|2,0,0]=4 17966 B13R1.91 CCC(=O)NC1CCCCC1OC 1626a_100011208099_100000210414 [1,0,0,1,0,0|2,0,0]=4 17967 B13R1.91 CCC(=O)NC1CCCCC1OC 240690a_100011208099_100000210414 [1,0,0,1,0,0|2,0,0]=4 17968 B13R1.91 CCC(=O)NC1CCCCC1OC 527a_100011208099_100000210414 [1,0,0,1,0,0|2,0,0]=4 17969 B13R1.91 CCC1CCCCN1CC(=O)NC 2230a_100000210034_100000183359 [1,0,0,1,0,0|2,0,0]=4 17970 B13R1.91 CCC1CCCCN1CC(=O)NC 269982a_100000210034_100000183359 [1,0,0,1,0,0|2,0,0]=4 17971 B13R1.91 CCC1CCCCN1CC(=O)NC 34a_100000210034_100000183359 [1,0,0,1,0,0|2,0,0]=4 17972 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [1,0,0,1,0,0|1,0,0]=3 17973 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [1,0,0,1,0,0|1,0,0]=3 17974 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [1,0,0,1,0,0|1,0,0]=3 17975 B13R1.91 CCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210202 [1,0,0,1,0,0|2,0,0]=4 17976 B13R1.91 CCN1CCOCC1CC(=O)OC 34a_100000731486_100000210202 [1,0,0,1,0,0|2,0,0]=4 17977 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 2230a_100016988097_100000747449 [1,0,0,1,0,0|2,0,0]=4 17978 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 269982a_100016988097_100000747449 [1,0,0,1,0,0|2,0,0]=4 17979 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 34a_100016988097_100000747449 [1,0,0,1,0,0|2,0,0]=4 17980 B13R1.91 COC(=O)CN1CCCCC1CO 2230a_100000210821_100000747449 [1,0,0,1,0,0|2,0,0]=4 17981 B13R1.91 COC(=O)CN1CCCCC1CO 269982a_100000210821_100000747449 [1,0,0,1,0,0|2,0,0]=4 17982 B13R1.91 COC(=O)CN1CCCCC1CO 34a_100000210821_100000747449 [1,0,0,1,0,0|2,0,0]=4 17983 B13R1.222 COCC1CCN1CCC(=O)OC 2230a_100015195929_100000204255 [1,0,0,1,0,0|2,0,0]=4 17984 B13R1.222 COCC1CCN1CCC(=O)OC 269982a_100015195929_100000204255 [1,0,0,1,0,0|2,0,0]=4 17985 B13R1.222 COCC1CCN1CCC(=O)OC 34a_100015195929_100000742370 [1,0,0,1,0,0|2,0,0]=4 17986 B13R1.382 CCC(=O)N1CCCCC1CCO 240690a_100000211664_100000210414 [1,0,0,1,0,0|2,0,0]=4 17987 B13R1.382 CCC(=O)N1CCCCC1COC 11a_100015184032_100000210414 [1,0,0,1,0,0|2,0,0]=4 17988 B13R1.382 CCC(=O)N1CCCCC1COC 1626a_100015184032_100000210414 [1,0,0,1,0,0|2,0,0]=4 17989 B13R1.382 CCC(=O)N1CCCCC1COC 240690a_100015184032_100000210414 [1,0,0,1,0,0|2,0,0]=4 17990 B13R1.382 CCC(=O)N1CCCCC1COC 527a_100015184032_100000210414 [1,0,0,1,0,0|2,0,0]=4 17991 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [1,0,0,1,0,0|1,0,0]=3 17992 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [1,0,0,1,0,0|1,0,0]=3 17993 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [1,0,0,1,0,0|1,0,0]=3 17994 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [1,0,0,1,0,0|1,0,0]=3 17995 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [1,0,0,1,0,0|2,0,0]=4 17996 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [1,0,0,1,0,0|2,0,0]=4 17997 B13R1.382 CCCC1CCCCN1C(=O)NC 2708a_100102657272_100000701414 [1,0,0,1,0,0|2,0,0]=4 17998 B13R1.382 CCCC1CCCCN1C(=O)NC 273464a_100102657272_100000701414 [1,0,0,1,0,0|2,0,0]=4 17999 B13R1.382 CCCC1COCCN1C(=O)CC 11a_102495339903_100000210414 [1,0,0,1,0,0|2,0,0]=4 18000 B13R1.382 CCCC1COCCN1C(=O)CC 1626a_102495339903_100000210414 [1,0,0,1,0,0|2,0,0]=4 18001 B13R1.382 CCCC1COCCN1C(=O)CC 240690a_102495339903_100000210414 [1,0,0,1,0,0|2,0,0]=4 18002 B13R1.382 CCCC1COCCN1C(=O)CC 527a_102495339903_100000210414 [1,0,0,1,0,0|2,0,0]=4 18003 B13R1.382 CCCN1CCCCC1C(=O)CC 1458a_100000743559_100000210202 [1,0,0,1,0,0|1,0,0]=3 18004 B13R1.382 CCCN1CCCCC1C(=O)CF 1458a_100000743559_100015361967 [1,0,0,1,0,0|2,0,0]=4 18005 B13R1.382 CCCN1CCCCC1C(=O)NC 2230a_100011209383_100000210303 [1,0,0,1,0,0|2,0,0]=4 18006 B13R1.382 CCCN1CCCCC1C(=O)NC 240690a_100102657272_100000743559 [1,0,0,1,0,0|2,0,0]=4 18007 B13R1.382 CCCN1CCCCC1C(=O)NC 269982a_100011209383_100000210303 [1,0,0,1,0,0|2,0,0]=4 18008 B13R1.382 CCCN1CCCCC1C(=O)NC 34a_100011209383_100000210303 [1,0,0,1,0,0|2,0,0]=4 18009 B13R1.382 CCCN1CCCCC1C(=O)OC 2230a_100000734855_100000210303 [1,0,0,1,0,0|1,0,0]=3 18010 B13R1.382 CCCN1CCCCC1C(=O)OC 269982a_100000734855_100000210303 [1,0,0,1,0,0|1,0,0]=3 18011 B13R1.382 CCCN1CCCCC1C(=O)OC 34a_100000734855_100000210303 [1,0,0,1,0,0|1,0,0]=3 18012 B13R1.382 CCCN1CCOCC1C(=O)OC 2230a_100000765174_100000210303 [1,0,0,1,0,0|2,0,0]=4 18013 B13R1.382 CCCN1CCOCC1C(=O)OC 34a_100000765174_100000210303 [1,0,0,1,0,0|2,0,0]=4 18014 B13R1.382 CCOC1CCNCC1C(=O)OC 34a_200103168510_100000210202 [1,0,0,1,0,0|2,0,0]=4 18015 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 34a_100015709673_100000210202 [1,0,0,1,0,0|1,0,0]=3 18016 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC 7a_100015709673_100000210202 [1,0,0,1,0,0|1,0,0]=3 18017 B13R1.382 COC(=O)C1CCCCN1CCF 2230a_100000734855_100011217306 [1,0,0,1,0,0|2,0,0]=4 18018 B13R1.382 COC(=O)C1CCCCN1CCF 269982a_100000734855_100011217306 [1,0,0,1,0,0|2,0,0]=4 18019 B13R1.382 COC(=O)C1CCCCN1CCF 34a_100000734855_100011217306 [1,0,0,1,0,0|2,0,0]=4 18020 B13R1.382 COC(=O)C1CCCCN1CCO 2230a_100000734855_100000211926 [1,0,0,1,0,0|2,0,0]=4 18021 B13R1.382 COC(=O)C1CCCCN1CCO 269982a_100000734855_100000211926 [1,0,0,1,0,0|2,0,0]=4 18022 B13R1.382 COC(=O)C1CCCCN1CCO 34a_100000734855_100000211926 [1,0,0,1,0,0|2,0,0]=4 18023 B13R1.382 COC(=O)C1CCCCN1CSC 2230a_100000734855_100011218213 [1,0,0,1,0,0|2,0,0]=4 18024 B13R1.382 COC(=O)C1CCCCN1CSC 269982a_100000734855_100011218213 [1,0,0,1,0,0|2,0,0]=4 18025 B13R1.382 COC(=O)C1CCCCN1CSC 34a_100000734855_100011218213 [1,0,0,1,0,0|2,0,0]=4 18026 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 34a_100015709673_100015361967 [1,0,0,1,0,0|2,0,0]=4 18027 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 7a_100015709673_100015361967 [1,0,0,1,0,0|2,0,0]=4 18028 B13R1.382 COCN1CCCCC1C(=O)OC 2230a_100000734855_100000766300 [1,0,0,1,0,0|2,0,0]=4 18029 B13R1.382 COCN1CCCCC1C(=O)OC 269982a_100000734855_100000766300 [1,0,0,1,0,0|2,0,0]=4 18030 B13R1.393 CCC(=O)CN1CCC[C@H]1COC 269982a_100020646714_100000747405 [1,0,0,1,0,0|2,0,0]=4 18031 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000210303 [1,0,0,1,0,0|1,0,0]=3 18032 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000210303 [1,0,0,1,0,0|1,0,0]=3 18033 B13R1.393 CCCN1CCC[C@@H]1CC(=O)OC 34a_100025726698_100000210303 [1,0,0,1,0,0|1,0,0]=3 18034 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 2230a_100025726698_100011217306 [1,0,0,1,0,0|2,0,0]=4 18035 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 269982a_100025726698_100011217306 [1,0,0,1,0,0|2,0,0]=4 18036 B13R1.393 COC(=O)C[C@H]1CCCN1CCF 34a_100025726698_100011217306 [1,0,0,1,0,0|2,0,0]=4 18037 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 2230a_100025726698_100000211926 [1,0,0,1,0,0|2,0,0]=4 18038 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 269982a_100025726698_100000211926 [1,0,0,1,0,0|2,0,0]=4 18039 B13R1.393 COC(=O)C[C@H]1CCCN1CCO 34a_100025726698_100000211926 [1,0,0,1,0,0|2,0,0]=4 18040 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 2230a_100025726698_100011218213 [1,0,0,1,0,0|2,0,0]=4 18041 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 269982a_100025726698_100011218213 [1,0,0,1,0,0|2,0,0]=4 18042 B13R1.393 COC(=O)C[C@H]1CCCN1CSC 34a_100025726698_100011218213 [1,0,0,1,0,0|2,0,0]=4 18043 B13R1.393 COCN1CCC[C@@H]1CC(=O)OC 2230a_100025726698_100000766300 [1,0,0,1,0,0|2,0,0]=4 18044 B13R1.393 COCN1CCC[C@@H]1CC(=O)OC 269982a_100025726698_100000766300 [1,0,0,1,0,0|2,0,0]=4 18045 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 2230a_100020646714_100000747449 [1,0,0,1,0,0|2,0,0]=4 18046 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 269982a_100020646714_100000747449 [1,0,0,1,0,0|2,0,0]=4 18047 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC 34a_100020646714_100000747449 [1,0,0,1,0,0|2,0,0]=4 18048 B13R1.528 CC1CCCCC1OCC(=O)CF 1458a_100011223357_100015361967 [1,0,0,1,0,0|2,0,0]=4 18049 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [1,0,0,1,0,0|1,0,0]=3 18050 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [1,0,0,1,0,0|1,0,0]=3 18051 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [1,0,0,1,0,0|1,0,0]=3 18052 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [1,0,0,1,0,0|1,0,0]=3 18053 B13R1.528 CCC(=O)COC1CCCCC1Cl 7a_100000038908_100000747405 [1,0,0,1,0,0|2,0,0]=4 18054 B13R1.528 CCC(=O)COC1CCCCC1F 34a_100000725409_100015423560 [1,0,0,1,0,0|2,0,0]=4 18055 B13R1.528 CCC(=O)COC1CCCCC1O 34a_100000725409_100000038908 [1,0,0,1,0,0|2,0,0]=4 18056 B13R1.528 CCC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747405 [1,0,0,1,0,0|2,0,0]=4 18057 B13R1.528 CCC(=O)CSC1CCCCC1F 62a_100000747405_100015423560 [1,0,0,1,0,0|2,0,0]=4 18058 B13R1.528 CCC(=O)CSC1CCCCC1F 62a_100015423560_100000747405 [1,0,0,1,0,0|2,0,0]=4 18059 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000038908_100000747405 [1,0,0,1,0,0|2,0,0]=4 18060 B13R1.528 CCC(=O)CSC1CCCCC1O 62a_100000747405_100000038908 [1,0,0,1,0,0|2,0,0]=4 18061 B13R1.528 CCC(=O)NCC1CCCCC1O 240690a_100011216029_100000210414 [1,0,0,1,0,0|2,0,0]=4 18062 B13R1.528 CCC(=O)NCC1CCCCC1O 527a_100011216029_100000210414 [1,0,0,1,0,0|2,0,0]=4 18063 B13R1.528 CCC(=O)NCC1CCCCN1C 240690a_100011228421_100000210414 [1,0,0,1,0,0|2,0,0]=4 18064 B13R1.528 CCC(=O)NCC1CCCCN1C 527a_100011228421_100000210414 [1,0,0,1,0,0|2,0,0]=4 18065 B13R1.528 CN1CCCCC1CCC(=O)CF 1458a_100000718493_100015361967 [1,0,0,1,0,0|2,0,0]=4 18066 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [1,0,0,1,0,0|2,0,0]=4 18067 B13R1.528 CNC(=O)CCC1CCCCN1C 240690a_100102657272_100000718493 [1,0,0,1,0,0|2,0,0]=4 18068 B13R1.528 CNC(=O)CCC1CCCCN1C 527a_100102657272_100000718493 [1,0,0,1,0,0|2,0,0]=4 18069 B13R1.528 CNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737683 [1,0,0,1,0,0|2,0,0]=4 18070 B13R1.528 CNC(=O)CCN1CCCCC1C 240690a_100102657272_100000727554 [1,0,0,1,0,0|2,0,0]=4 18071 B13R1.528 CNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737683 [1,0,0,1,0,0|2,0,0]=4 18072 B13R1.528 CNC(=O)CCN1CCCCC1C 34a_100000211376_100012179268 [1,0,0,1,0,0|2,0,0]=4 18073 B13R1.528 CNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183359 [1,0,0,1,0,0|2,0,0]=4 18074 B13R1.528 CNC(=O)CNC1CCCCC1C 269862a_100000693194_100000210921 [1,0,0,1,0,0|2,0,0]=4 18075 B13R1.528 CNC(=O)CNC1CCCCC1C 270004a_100000693194_100000210921 [1,0,0,1,0,0|2,0,0]=4 18076 B13R1.528 CNC(=O)CNC1CCCCC1C 34a_100000211402_100000183359 [1,0,0,1,0,0|2,0,0]=4 18077 B13R1.528 CNC(=O)COC1CCCCC1C 11a_106832991635_100011223357 [1,0,0,1,0,0|2,0,0]=4 18078 B13R1.528 CNC(=O)COC1CCCCC1C 1626a_100102657272_100011223357 [1,0,0,1,0,0|2,0,0]=4 18079 B13R1.528 CNC(=O)COC1CCCCC1C 240690a_100102657272_100011223357 [1,0,0,1,0,0|2,0,0]=4 18080 B13R1.528 CNC(=O)COC1CCCCC1C 34a_100000211207_100000183359 [1,0,0,1,0,0|2,0,0]=4 18081 B13R1.528 CNC(=O)COC1CCCCC1C 527a_100102657272_100011223357 [1,0,0,1,0,0|2,0,0]=4 18082 B13R1.528 CNC(=O)COC1CCCCC1C 7a_100000211207_100000183359 [1,0,0,1,0,0|2,0,0]=4 18083 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [1,0,0,1,0,0|1,0,0]=3 18084 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [1,0,0,1,0,0|1,0,0]=3 18085 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [1,0,0,1,0,0|1,0,0]=3 18086 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000204255 [1,0,0,1,0,0|2,0,0]=4 18087 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000204255 [1,0,0,1,0,0|2,0,0]=4 18088 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000742370 [1,0,0,1,0,0|2,0,0]=4 18089 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [1,0,0,1,0,0|1,0,0]=3 18090 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [1,0,0,1,0,0|1,0,0]=3 18091 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [1,0,0,1,0,0|2,0,0]=4 18092 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [1,0,0,1,0,0|2,0,0]=4 18093 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [1,0,0,1,0,0|1,0,0]=3 18094 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [1,0,0,1,0,0|1,0,0]=3 18095 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [1,0,0,1,0,0|2,0,0]=4 18096 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [1,0,0,1,0,0|2,0,0]=4 18097 B13R1.528 COC(=O)COC1CCNCC1C 34a_100011998114_100000747449 [1,0,0,1,0,0|2,0,0]=4 18098 B13R1.528 COC(=O)COC1CNCCC1C 34a_100000696640_100000747449 [1,0,0,1,0,0|2,0,0]=4 18099 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [1,0,0,1,0,0|2,0,0]=4 18100 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [1,0,0,1,0,0|2,0,0]=4 18101 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [1,0,0,1,0,0|2,0,0]=4 18102 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [1,0,0,1,0,0|2,0,0]=4 18103 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [1,0,0,1,0,0|2,0,0]=4 18104 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [1,0,0,1,0,0|2,0,0]=4 18105 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [1,0,0,1,0,0|2,0,0]=4 18106 B13R1.536 CCC(=O)CCCCC1OCCO1 1458a_100000210414_100000034956 [1,0,0,1,0,0|2,0,0]=4 18107 B13R1.536 CCC(=O)CCCC[C@@H]1CCSS1 1458a_100009816572_100000210202 [1,0,0,1,0,0|2,0,0]=4 18108 B13R1.536 CCC(=O)COCCC1CCCC1 34a_100000725409_100000760354 [1,0,0,1,0,0|1,0,0]=3 18109 B13R1.536 CCC(=O)COCCC1CCCC1 7a_100000749090_100000747405 [1,0,0,1,0,0|1,0,0]=3 18110 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000747405_100000760354 [1,0,0,1,0,0|1,0,0]=3 18111 B13R1.536 CCC(=O)CSCCC1CCCC1 62a_100000760354_100000747405 [1,0,0,1,0,0|1,0,0]=3 18112 B13R1.536 CCC(=O)CSCCN1CCCC1 1458a_200015187850_100000210202 [1,0,0,1,0,0|2,0,0]=4 18113 B13R1.536 CCC(=O)CSCCN1CCCC1 62a_100000700749_100000747405 [1,0,0,1,0,0|2,0,0]=4 18114 B13R1.536 CCC(=O)CSCCN1CCCC1 62a_100000747405_100000004467 [1,0,0,1,0,0|2,0,0]=4 18115 B13R1.536 CCC(=O)NCCCC1CCCC1 11a_100000736752_100000210414 [1,0,0,1,0,0|1,0,0]=3 18116 B13R1.536 CCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210414 [1,0,0,1,0,0|1,0,0]=3 18117 B13R1.536 CCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210414 [1,0,0,1,0,0|1,0,0]=3 18118 B13R1.536 CCC(=O)NCCCC1CCCC1 527a_100000736752_100000210414 [1,0,0,1,0,0|1,0,0]=3 18119 B13R1.536 CCC(=O)NCCCN1CCCC1 240690a_100000204695_100000210414 [1,0,0,1,0,0|2,0,0]=4 18120 B13R1.536 CCC(=O)NCCNC1CCCC1 270004a_100132302217_100000210133 [1,0,0,1,0,0|2,0,0]=4 18121 B13R1.536 CCC(=O)NCCNC1CCCC1 34a_100132302217_100000179811 [1,0,0,1,0,0|2,0,0]=4 18122 B13R1.536 CCC(=O)NCCOC1CCCC1 11a_100000741755_100000210414 [1,0,0,1,0,0|2,0,0]=4 18123 B13R1.536 CCC(=O)NCCOC1CCCC1 1626a_100000741755_100000210414 [1,0,0,1,0,0|2,0,0]=4 18124 B13R1.536 CCC(=O)NCCOC1CCCC1 240690a_100000741755_100000210414 [1,0,0,1,0,0|2,0,0]=4 18125 B13R1.536 CCC(=O)NCCOC1CCCC1 34a_200000158885_100000179811 [1,0,0,1,0,0|2,0,0]=4 18126 B13R1.536 CCC(=O)NCCOC1CCCC1 527a_100000741755_100000210414 [1,0,0,1,0,0|2,0,0]=4 18127 B13R1.536 CCC(=O)NCCOC1CCCC1 7a_200000158885_100000179811 [1,0,0,1,0,0|2,0,0]=4 18128 B13R1.536 CCC(=O)OCCOC1CCCC1 7a_200000031056_100000179811 [1,0,0,1,0,0|2,0,0]=4 18129 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000211070_100000741757 [1,0,0,1,0,0|2,0,0]=4 18130 B13R1.536 CNC(=O)CCCNC1CCCC1 2230a_100000740002_100000179811 [1,0,0,1,0,0|2,0,0]=4 18131 B13R1.536 CNC(=O)CCCNC1CCCC1 270004a_100000740002_100000210133 [1,0,0,1,0,0|2,0,0]=4 18132 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000211070_100000741757 [1,0,0,1,0,0|2,0,0]=4 18133 B13R1.536 CNC(=O)CCCNC1CCCC1 34a_100000740002_100000179811 [1,0,0,1,0,0|2,0,0]=4 18134 B13R1.536 CNC(=O)CCCOC1CCCC1 34a_100000210269_100000741757 [1,0,0,1,0,0|2,0,0]=4 18135 B13R1.536 CNC(=O)CCCOC1CCCC1 7a_100000210269_100000741757 [1,0,0,1,0,0|2,0,0]=4 18136 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100000741757_100000179811 [1,0,0,1,0,0|2,0,0]=4 18137 B13R1.536 CNC(=O)CCCSC1CCCC1 62a_100011217020_100000741757 [1,0,0,1,0,0|2,0,0]=4 18138 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000737975_100000737683 [1,0,0,1,0,0|2,0,0]=4 18139 B13R1.536 CNC(=O)CCNCC1CCCC1 2230a_100000738227_100000740388 [1,0,0,1,0,0|2,0,0]=4 18140 B13R1.536 CNC(=O)CCNCC1CCCC1 269862a_100000738227_100000746403 [1,0,0,1,0,0|2,0,0]=4 18141 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000737975_100012179268 [1,0,0,1,0,0|2,0,0]=4 18142 B13R1.536 CNC(=O)CCNCC1CCCC1 34a_100000738227_100000740388 [1,0,0,1,0,0|2,0,0]=4 18143 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000742336_100012179268 [1,0,0,1,0,0|2,0,0]=4 18144 B13R1.536 CNC(=O)CCOCC1CCCC1 34a_100000754576_100000740388 [1,0,0,1,0,0|2,0,0]=4 18145 B13R1.536 CNC(=O)CCOCC1CCCC1 7a_100000742336_100000737683 [1,0,0,1,0,0|2,0,0]=4 18146 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000737683_100000740388 [1,0,0,1,0,0|2,0,0]=4 18147 B13R1.536 CNC(=O)CCSCC1CCCC1 62a_100000740388_100000737683 [1,0,0,1,0,0|2,0,0]=4 18148 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000693194_100000760354 [1,0,0,1,0,0|2,0,0]=4 18149 B13R1.536 CNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183359 [1,0,0,1,0,0|2,0,0]=4 18150 B13R1.536 CNC(=O)CNCCC1CCCC1 34a_100000739158_100000183359 [1,0,0,1,0,0|2,0,0]=4 18151 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000749090_100000183359 [1,0,0,1,0,0|2,0,0]=4 18152 B13R1.536 CNC(=O)COCCC1CCCC1 34a_100000750040_100000760354 [1,0,0,1,0,0|2,0,0]=4 18153 B13R1.536 CNC(=O)COCCC1CCCC1 7a_100000749090_100000183359 [1,0,0,1,0,0|2,0,0]=4 18154 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000183359_100000760354 [1,0,0,1,0,0|2,0,0]=4 18155 B13R1.536 CNC(=O)CSCCC1CCCC1 62a_100000760354_100000183359 [1,0,0,1,0,0|2,0,0]=4 18156 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100000736752_106832991635 [1,0,0,1,0,0|2,0,0]=4 18157 B13R1.536 CNC(=O)NCCCC1CCCC1 2708a_100102657272_100000736752 [1,0,0,1,0,0|2,0,0]=4 18158 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100000736752_100102657272 [1,0,0,1,0,0|2,0,0]=4 18159 B13R1.536 CNC(=O)NCCCC1CCCC1 273464a_100102657272_100000736752 [1,0,0,1,0,0|2,0,0]=4 18160 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_100000736752_100102657272 [1,0,0,1,0,0|2,0,0]=4 18161 B13R1.536 CNC(=O)NCCCC1CCCC1 512a_106832991638_100000736752 [1,0,0,1,0,0|2,0,0]=4 18162 B13R1.536 COC(=O)CCCCN1CCCC1 2230a_100000188435_100000204269 [1,0,0,1,0,0|1,0,0]=3 18163 B13R1.536 COC(=O)CCCCN1CCCC1 269982a_100000188435_100000204269 [1,0,0,1,0,0|1,0,0]=3 18164 B13R1.536 COC(=O)CCCCN1CCSC1 2230a_100011215254_100000204269 [1,0,0,1,0,0|2,0,0]=4 18165 B13R1.536 COC(=O)CCCCN1CCSC1 269982a_100011215254_100000204269 [1,0,0,1,0,0|2,0,0]=4 18166 B13R1.536 COC(=O)CCCNC1CCCC1 2230a_100000211070_100011218270 [1,0,0,1,0,0|1,0,0]=3 18167 B13R1.536 COC(=O)CCCNC1CCCC1 34a_100000211070_100000742333 [1,0,0,1,0,0|1,0,0]=3 18168 B13R1.536 COC(=O)CCCN[C@@H]1CCOC1 2230a_200015188469_100011218270 [1,0,0,1,0,0|2,0,0]=4 18169 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 2230a_100015188467_100011218270 [1,0,0,1,0,0|2,0,0]=4 18170 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 34a_100015188467_100000742333 [1,0,0,1,0,0|2,0,0]=4 18171 B13R1.536 COC(=O)CCCOC1CCCC1 34a_100000210269_100000742333 [1,0,0,1,0,0|1,0,0]=3 18172 B13R1.536 COC(=O)CCCOC1CCCC1 7a_100000210269_100011218270 [1,0,0,1,0,0|1,0,0]=3 18173 B13R1.536 COC(=O)CCCOC1CCCO1 34a_100000085407_100000742333 [1,0,0,1,0,0|2,0,0]=4 18174 B13R1.536 COC(=O)CCCOC1CCSC1 7a_100011232664_100011218270 [1,0,0,1,0,0|2,0,0]=4 18175 B13R1.536 COC(=O)CCCO[C@H]1CCOC1 34a_100000717292_100000742333 [1,0,0,1,0,0|2,0,0]=4 18176 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011217020_100011218270 [1,0,0,1,0,0|1,0,0]=3 18177 B13R1.536 COC(=O)CCCSC1CCCC1 62a_100011218270_100000179811 [1,0,0,1,0,0|1,0,0]=3 18178 B13R1.536 COC(=O)CCCSC1CCOC1 62a_100011218270_100000690089 [1,0,0,1,0,0|2,0,0]=4 18179 B13R1.536 COC(=O)CCNCC1CCCC1 2230a_100000737975_100000204255 [1,0,0,1,0,0|1,0,0]=3 18180 B13R1.536 COC(=O)CCNCC1CCCC1 34a_100000737975_100000742370 [1,0,0,1,0,0|1,0,0]=3 18181 B13R1.536 COC(=O)CCNCC1CCOC1 2230a_100000737293_100000204255 [1,0,0,1,0,0|2,0,0]=4 18182 B13R1.536 COC(=O)CCNCC1CCOC1 34a_100000737293_100000742370 [1,0,0,1,0,0|2,0,0]=4 18183 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000204255 [1,0,0,1,0,0|2,0,0]=4 18184 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 34a_100020590478_100000742370 [1,0,0,1,0,0|2,0,0]=4 18185 B13R1.536 COC(=O)CCOCC1CCCC1 34a_100000742336_100000742370 [1,0,0,1,0,0|1,0,0]=3 18186 B13R1.536 COC(=O)CCOCC1CCCC1 7a_100000742336_100000204255 [1,0,0,1,0,0|1,0,0]=3 18187 B13R1.536 COC(=O)CCOCC1CCCO1 34a_100000210270_100000742370 [1,0,0,1,0,0|2,0,0]=4 18188 B13R1.536 COC(=O)CCOCC1CCCO1 7a_100000210270_100000204255 [1,0,0,1,0,0|2,0,0]=4 18189 B13R1.536 COC(=O)CCOCC1CCNC1 34a_100000748654_100000742370 [1,0,0,1,0,0|2,0,0]=4 18190 B13R1.536 COC(=O)CCOCC1CCOC1 34a_100000740260_100000742370 [1,0,0,1,0,0|2,0,0]=4 18191 B13R1.536 COC(=O)CCOC[C@H]1CCCN1 34a_100000745186_100000742370 [1,0,0,1,0,0|2,0,0]=4 18192 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000204255_100000740388 [1,0,0,1,0,0|1,0,0]=3 18193 B13R1.536 COC(=O)CCSCC1CCCC1 62a_100000740388_100000204255 [1,0,0,1,0,0|1,0,0]=3 18194 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000203698_100000204255 [1,0,0,1,0,0|2,0,0]=4 18195 B13R1.536 COC(=O)CCSCC1CCCO1 62a_100000204255_100000203698 [1,0,0,1,0,0|2,0,0]=4 18196 B13R1.536 COC(=O)CCSCC1CCOC1 62a_100000204255_100000702531 [1,0,0,1,0,0|2,0,0]=4 18197 B13R1.536 COC(=O)CCSCC1CCOC1 62a_100000702531_100000204255 [1,0,0,1,0,0|2,0,0]=4 18198 B13R1.536 COC(=O)CNCCC1CCCC1 2230a_100000739158_100000747449 [1,0,0,1,0,0|1,0,0]=3 18199 B13R1.536 COC(=O)CNCCC1CCCC1 34a_100000739158_100000747449 [1,0,0,1,0,0|1,0,0]=3 18200 B13R1.536 COC(=O)COCCC1CCCC1 34a_100000749090_100000747449 [1,0,0,1,0,0|1,0,0]=3 18201 B13R1.536 COC(=O)COCCC1CCCC1 7a_100000749090_100000747449 [1,0,0,1,0,0|1,0,0]=3 18202 B13R1.536 COC(=O)COCCC1CCNC1 34a_100016987287_100000747449 [1,0,0,1,0,0|2,0,0]=4 18203 B13R1.536 COC(=O)COCCC1CCOC1 34a_100011879284_100000747449 [1,0,0,1,0,0|2,0,0]=4 18204 B13R1.536 COC(=O)COCCN1CCCC1 2230a_100000188435_100000090808 [1,0,0,1,0,0|2,0,0]=4 18205 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000747449_100000760354 [1,0,0,1,0,0|1,0,0]=3 18206 B13R1.536 COC(=O)CSCCC1CCCC1 62a_100000760354_100000747449 [1,0,0,1,0,0|1,0,0]=3 18207 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000700749_100000747449 [1,0,0,1,0,0|2,0,0]=4 18208 B13R1.536 COC(=O)CSCCN1CCCC1 62a_100000747449_100000004467 [1,0,0,1,0,0|2,0,0]=4 18209 B13R1.536 COC(=O)NCCOC1CCCC1 34a_100000757965_100000179811 [1,0,0,1,0,0|2,0,0]=4 18210 B13R1.536 COC(=O)OCCOC1CCCC1 34a_100010262106_100000179811 [1,0,0,1,0,0|2,0,0]=4 18211 B13R1.536 COC(=O)OCSCC1CCCC1 62a_100000740388_100000139417 [1,0,0,1,0,0|2,0,0]=4 18212 B13R1.536 O=C(CO)NCCCC1CCCC1 240690a_100000736752_100000210174 [1,0,0,1,0,0|2,0,0]=4 18213 B13R1.536 O=C(CO)NCCCC1CCCC1 527a_100000736752_100000210174 [1,0,0,1,0,0|2,0,0]=4 18214 B13R1.538 CNC(=O)CCCOCC1CC1C 34a_100000744939_100000741757 [1,0,0,1,0,0|2,0,0]=4 18215 B13R1.538 CNC(=O)CCCOCC1CC1C 7a_100000744939_100000741757 [1,0,0,1,0,0|2,0,0]=4 18216 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000204269 [1,0,0,1,0,0|2,0,0]=4 18217 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000204269 [1,0,0,1,0,0|2,0,0]=4 18218 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000204269 [1,0,0,1,0,0|2,0,0]=4 18219 B13R1.538 COC(=O)CCCOCC1CC1C 34a_100000744939_100000742333 [1,0,0,1,0,0|1,0,0]=3 18220 B13R1.538 COC(=O)CCCOCC1CC1C 7a_100000744939_100011218270 [1,0,0,1,0,0|1,0,0]=3 18221 B13R1.539 CCC(=O)NCCNCC1CCC1 269862a_100132302217_100000753134 [1,0,0,1,0,0|2,0,0]=4 18222 B13R1.539 CCC(=O)NCCNCC1CCC1 34a_100132302217_100000763275 [1,0,0,1,0,0|2,0,0]=4 18223 B13R1.539 CCC(=O)NCCOCC1CCC1 34a_200000158885_100000763275 [1,0,0,1,0,0|2,0,0]=4 18224 B13R1.539 CCC(=O)NCCOCC1CCC1 7a_200000158885_100000763275 [1,0,0,1,0,0|2,0,0]=4 18225 B13R1.539 CCC(=O)OCCOCC1CCC1 7a_200000031056_100000763275 [1,0,0,1,0,0|2,0,0]=4 18226 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000738700_100000741757 [1,0,0,1,0,0|2,0,0]=4 18227 B13R1.539 CNC(=O)CCCNCC1CCC1 2230a_100000740002_100000763275 [1,0,0,1,0,0|2,0,0]=4 18228 B13R1.539 CNC(=O)CCCNCC1CCC1 269862a_100000740002_100000753134 [1,0,0,1,0,0|2,0,0]=4 18229 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000738700_100000741757 [1,0,0,1,0,0|2,0,0]=4 18230 B13R1.539 CNC(=O)CCCNCC1CCC1 34a_100000740002_100000763275 [1,0,0,1,0,0|2,0,0]=4 18231 B13R1.539 CNC(=O)CCCOCC1CCC1 34a_100000760304_100000741757 [1,0,0,1,0,0|2,0,0]=4 18232 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000741757_100000763275 [1,0,0,1,0,0|2,0,0]=4 18233 B13R1.539 CNC(=O)CCCSCC1CCC1 62a_100000763275_100000741757 [1,0,0,1,0,0|2,0,0]=4 18234 B13R1.539 COC(=O)CCCCCN1CCC1 269982a_100000754969_100009816466 [1,0,0,1,0,0|1,0,0]=3 18235 B13R1.539 COC(=O)CCCCNC1CCC1 2230a_100000749019_100000204269 [1,0,0,1,0,0|1,0,0]=3 18236 B13R1.539 COC(=O)CCCCNC1CCC1 34a_100000749019_100000204269 [1,0,0,1,0,0|1,0,0]=3 18237 B13R1.539 COC(=O)CCCCNC1COC1 2230a_100016991112_100000204269 [1,0,0,1,0,0|2,0,0]=4 18238 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000059025_100000749161 [1,0,0,1,0,0|1,0,0]=3 18239 B13R1.539 COC(=O)CCCCOC1CCC1 34a_100000748187_100000204269 [1,0,0,1,0,0|1,0,0]=3 18240 B13R1.539 COC(=O)CCCCOC1COC1 34a_100000059025_100009818527 [1,0,0,1,0,0|2,0,0]=4 18241 B13R1.539 COC(=O)CCCCOC1COC1 7a_100000059025_100009818527 [1,0,0,1,0,0|2,0,0]=4 18242 B13R1.539 COC(=O)CCCCOC1CSC1 7a_100000072292_100000204269 [1,0,0,1,0,0|2,0,0]=4 18243 B13R1.539 COC(=O)CCCCSC1CCC1 62a_100000204269_100000749161 [1,0,0,1,0,0|1,0,0]=3 18244 B13R1.539 COC(=O)CCCCSC1COC1 62a_100000204269_100009818527 [1,0,0,1,0,0|2,0,0]=4 18245 B13R1.539 COC(=O)CCCNCC1CCC1 2230a_100000738700_100011218270 [1,0,0,1,0,0|1,0,0]=3 18246 B13R1.539 COC(=O)CCCNCC1CCC1 34a_100000738700_100000742333 [1,0,0,1,0,0|1,0,0]=3 18247 B13R1.539 COC(=O)CCCNCC1COC1 2230a_100015281925_100011218270 [1,0,0,1,0,0|2,0,0]=4 18248 B13R1.539 COC(=O)CCCNCC1COC1 34a_100015281925_100000742333 [1,0,0,1,0,0|2,0,0]=4 18249 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 2230a_100020831831_100011218270 [1,0,0,1,0,0|2,0,0]=4 18250 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 34a_100020831831_100000742333 [1,0,0,1,0,0|2,0,0]=4 18251 B13R1.539 COC(=O)CCCOCC1CCC1 34a_100000760304_100000742333 [1,0,0,1,0,0|1,0,0]=3 18252 B13R1.539 COC(=O)CCCOCC1CCO1 34a_100000039022_100000742333 [1,0,0,1,0,0|2,0,0]=4 18253 B13R1.539 COC(=O)CCCOCC1CNC1 34a_100016987283_100000742333 [1,0,0,1,0,0|2,0,0]=4 18254 B13R1.539 COC(=O)CCCOCC1COC1 34a_100000060846_100000742333 [1,0,0,1,0,0|2,0,0]=4 18255 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100000763275_100011218270 [1,0,0,1,0,0|1,0,0]=3 18256 B13R1.539 COC(=O)CCCSCC1CCC1 62a_100011218270_100000763275 [1,0,0,1,0,0|1,0,0]=3 18257 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100000103362_100011218270 [1,0,0,1,0,0|2,0,0]=4 18258 B13R1.539 COC(=O)CCCSCC1CCO1 62a_100011218270_100000103362 [1,0,0,1,0,0|2,0,0]=4 18259 B13R1.539 COC(=O)CCCSCC1COC1 62a_100010264016_100011218270 [1,0,0,1,0,0|2,0,0]=4 18260 B13R1.539 COC(=O)CCCSCC1COC1 62a_100011218270_100010264016 [1,0,0,1,0,0|2,0,0]=4 18261 B13R1.539 COC(=O)CCOCCC1COC1 34a_100009855314_100000742370 [1,0,0,1,0,0|2,0,0]=4 18262 B13R1.539 COC(=O)COCCNC1CCC1 2230a_100000749019_100000090808 [1,0,0,1,0,0|2,0,0]=4 18263 B13R1.539 COC(=O)COCCNC1CCC1 34a_100000749019_100000090808 [1,0,0,1,0,0|2,0,0]=4 18264 B13R1.539 COC(=O)COCCOC1CCC1 34a_100000748187_100000090808 [1,0,0,1,0,0|2,0,0]=4 18265 B13R1.539 COC(=O)COCCSC1CCC1 62a_100000090808_100000749161 [1,0,0,1,0,0|2,0,0]=4 18266 B13R1.539 COC(=O)NCCOCC1CCC1 34a_100000757965_100000763275 [1,0,0,1,0,0|2,0,0]=4 18267 B13R1.539 COC(=O)OCCOCC1CCC1 34a_100010262106_100000763275 [1,0,0,1,0,0|2,0,0]=4 18268 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210211 [1,0,0,1,0,0|2,0,0]=4 18269 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000210211 [1,0,0,1,0,0|2,0,0]=4 18270 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210210 [1,0,0,1,0,0|2,0,0]=4 18271 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210211 [1,0,0,1,0,0|1,0,0]=3 18272 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000210211 [1,0,0,1,0,0|1,0,0]=3 18273 B13R1.581 CCCCN1CCSC1C(=O)OC 2230a_100015296106_100000210211 [1,0,0,1,0,0|2,0,0]=4 18274 B13R1.581 CCCCN1CCSC1C(=O)OC 269982a_100015296106_100000210211 [1,0,0,1,0,0|2,0,0]=4 18275 B13R1.581 CCCCN1CSCC1C(=O)OC 269982a_200000724679_100000210211 [1,0,0,1,0,0|2,0,0]=4 18276 B13R1.581 CCCOC1CCCC1C(=O)OC 34a_200000081814_100000210303 [1,0,0,1,0,0|1,0,0]=3 18277 B13R1.581 CCCOC1CCCC1C(=O)OC 7a_200000081814_100000210303 [1,0,0,1,0,0|1,0,0]=3 18278 B13R1.581 CCOCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000739092 [1,0,0,1,0,0|2,0,0]=4 18279 B13R1.581 COC(=O)C1CCCC1OCCF 34a_200000081814_100011217306 [1,0,0,1,0,0|2,0,0]=4 18280 B13R1.581 COC(=O)C1CCCC1OCCF 7a_200000081814_100011217306 [1,0,0,1,0,0|2,0,0]=4 18281 B13R1.581 COC(=O)C1CCCC1OCCO 34a_200000081814_100000211926 [1,0,0,1,0,0|2,0,0]=4 18282 B13R1.581 COC(=O)C1CCCC1OCCO 7a_200000081814_100000211926 [1,0,0,1,0,0|2,0,0]=4 18283 B13R1.581 COC(=O)C1CCCC1OCSC 34a_200000081814_100011218213 [1,0,0,1,0,0|2,0,0]=4 18284 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 2230a_100000752040_100011934791 [1,0,0,1,0,0|2,0,0]=4 18285 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF 269982a_100000752040_100011934791 [1,0,0,1,0,0|2,0,0]=4 18286 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 2230a_100000752040_100000230001 [1,0,0,1,0,0|2,0,0]=4 18287 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO 269982a_100000752040_100011215043 [1,0,0,1,0,0|2,0,0]=4 18288 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC 2230a_100000752040_100000751147 [1,0,0,1,0,0|2,0,0]=4 18289 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC 269982a_100000752040_100000212216 [1,0,0,1,0,0|2,0,0]=4 18290 B13R1.581 COCCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100011201679 [1,0,0,1,0,0|2,0,0]=4 18291 B13R1.581 COCCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000233755 [1,0,0,1,0,0|2,0,0]=4 18292 B13R1.594 CCC(=O)NCCNCCC1CC1 34a_100132302217_100000694398 [1,0,0,1,0,0|2,0,0]=4 18293 B13R1.594 CCC(=O)NCCOCCC1CC1 34a_200000158885_100000694398 [1,0,0,1,0,0|2,0,0]=4 18294 B13R1.594 CCC(=O)NCCOCCC1CC1 7a_200000158885_100000764125 [1,0,0,1,0,0|2,0,0]=4 18295 B13R1.594 CCC(=O)OCCOCCC1CC1 7a_200000031056_100000764125 [1,0,0,1,0,0|2,0,0]=4 18296 B13R1.594 CNC(=O)CCCNCCC1CC1 2230a_100000740002_100000694398 [1,0,0,1,0,0|2,0,0]=4 18297 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000740002_100000694398 [1,0,0,1,0,0|2,0,0]=4 18298 B13R1.594 CNC(=O)CCCNCCC1CC1 34a_100000764129_100000741757 [1,0,0,1,0,0|2,0,0]=4 18299 B13R1.594 CNC(=O)CCCOCCC1CC1 34a_100000754188_100000741757 [1,0,0,1,0,0|2,0,0]=4 18300 B13R1.594 CNC(=O)CCCOCCC1CC1 7a_100000754188_100000741757 [1,0,0,1,0,0|2,0,0]=4 18301 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000741757_100000764125 [1,0,0,1,0,0|2,0,0]=4 18302 B13R1.594 CNC(=O)CCCSCCC1CC1 62a_100000764125_100000741757 [1,0,0,1,0,0|2,0,0]=4 18303 B13R1.594 COC(=O)CCCCCNC1CC1 34a_100000212008_100009816466 [1,0,0,1,0,0|1,0,0]=3 18304 B13R1.594 COC(=O)CCCCCOC1CC1 34a_100000074720_100000211595 [1,0,0,1,0,0|1,0,0]=3 18305 B13R1.594 COC(=O)CCCCCSC1CC1 62a_100009816466_100000211595 [1,0,0,1,0,0|1,0,0]=3 18306 B13R1.594 COC(=O)CCCCNCC1CC1 2230a_100000735609_100000204269 [1,0,0,1,0,0|1,0,0]=3 18307 B13R1.594 COC(=O)CCCCNCC1CC1 34a_100000735609_100000204269 [1,0,0,1,0,0|1,0,0]=3 18308 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000059025_100000742324 [1,0,0,1,0,0|1,0,0]=3 18309 B13R1.594 COC(=O)CCCCOCC1CC1 34a_100000211283_100000204269 [1,0,0,1,0,0|1,0,0]=3 18310 B13R1.594 COC(=O)CCCCOCC1CC1 7a_100000059025_100000742324 [1,0,0,1,0,0|1,0,0]=3 18311 B13R1.594 COC(=O)CCCCOCC1CO1 34a_100000059025_102125554688 [1,0,0,1,0,0|2,0,0]=4 18312 B13R1.594 COC(=O)CCCCOCC1CO1 7a_100000059025_102125554688 [1,0,0,1,0,0|2,0,0]=4 18313 B13R1.594 COC(=O)CCCCOCC1CS1 7a_100000059025_100000031435 [1,0,0,1,0,0|2,0,0]=4 18314 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 34a_100000757423_100000204269 [1,0,0,1,0,0|2,0,0]=4 18315 B13R1.594 COC(=O)CCCCOC[C@@H]1CO1 7a_100000059025_100000745022 [1,0,0,1,0,0|2,0,0]=4 18316 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000204269_100000742324 [1,0,0,1,0,0|1,0,0]=3 18317 B13R1.594 COC(=O)CCCCSCC1CC1 62a_100000756562_100000204269 [1,0,0,1,0,0|1,0,0]=3 18318 B13R1.594 COC(=O)CCCCSCC1CO1 62a_100000204269_102125554688 [1,0,0,1,0,0|2,0,0]=4 18319 B13R1.594 COC(=O)CCCCSCC1CO1 62a_102125554688_100000204269 [1,0,0,1,0,0|2,0,0]=4 18320 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000031435_100000204269 [1,0,0,1,0,0|2,0,0]=4 18321 B13R1.594 COC(=O)CCCCSCC1CS1 62a_100000204269_100000031435 [1,0,0,1,0,0|2,0,0]=4 18322 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000204269_100000745022 [1,0,0,1,0,0|2,0,0]=4 18323 B13R1.594 COC(=O)CCCCSC[C@@H]1CO1 62a_100000745022_100000204269 [1,0,0,1,0,0|2,0,0]=4 18324 B13R1.594 COC(=O)CCCNCCC1CC1 34a_100000764129_100000742333 [1,0,0,1,0,0|1,0,0]=3 18325 B13R1.594 COC(=O)CCCOCCC1CC1 34a_100000754188_100000742333 [1,0,0,1,0,0|1,0,0]=3 18326 B13R1.594 COC(=O)CCCOCCC1CC1 7a_100000754188_100011218270 [1,0,0,1,0,0|1,0,0]=3 18327 B13R1.594 COC(=O)CCCOCC[C@@H]1CO1 34a_100009820653_100000742333 [1,0,0,1,0,0|2,0,0]=4 18328 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100000764125_100011218270 [1,0,0,1,0,0|1,0,0]=3 18329 B13R1.594 COC(=O)CCCSCCC1CC1 62a_100011218270_100000764125 [1,0,0,1,0,0|1,0,0]=3 18330 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100000732470_100011218270 [1,0,0,1,0,0|2,0,0]=4 18331 B13R1.594 COC(=O)CCCSCCC1CO1 62a_100011218270_100000732470 [1,0,0,1,0,0|2,0,0]=4 18332 B13R1.594 COC(=O)CCOCCNC1CC1 34a_100000738766_100000742370 [1,0,0,1,0,0|2,0,0]=4 18333 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000204255_100000733510 [1,0,0,1,0,0|2,0,0]=4 18334 B13R1.594 COC(=O)CCSCCCC1CO1 62a_100000733510_100000204255 [1,0,0,1,0,0|2,0,0]=4 18335 B13R1.594 COC(=O)COCCNCC1CC1 2230a_100000735609_100000090808 [1,0,0,1,0,0|2,0,0]=4 18336 B13R1.594 COC(=O)COCCNCC1CC1 34a_100000735609_100000090808 [1,0,0,1,0,0|2,0,0]=4 18337 B13R1.594 COC(=O)COCCOCC1CC1 34a_100000211283_100000090808 [1,0,0,1,0,0|2,0,0]=4 18338 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000090808_100000742324 [1,0,0,1,0,0|2,0,0]=4 18339 B13R1.594 COC(=O)COCCSCC1CC1 62a_100000756562_100000090808 [1,0,0,1,0,0|2,0,0]=4 18340 B13R1.594 COC(=O)NCCOCCC1CC1 34a_100000757965_100000694398 [1,0,0,1,0,0|2,0,0]=4 18341 B13R1.594 COC(=O)OCCOCCC1CC1 34a_100010262106_100000694398 [1,0,0,1,0,0|2,0,0]=4 18342 B13R1.595 COC(=O)CCCCN1CCC1C 269982a_100000755817_100000204269 [1,0,0,1,0,0|1,0,0]=3 18343 B13R1.595 COC(=O)CCCCN1CCC1C 34a_100000755817_100000204269 [1,0,0,1,0,0|1,0,0]=3 18344 B13R1.595 COC(=O)COCCN1CCC1C 34a_100000755817_100000090808 [1,0,0,1,0,0|2,0,0]=4 18345 B13R1.599 CCC(=O)NCCC1CCCN1C 240690a_100011219722_100000210414 [1,0,0,1,0,0|2,0,0]=4 18346 B13R1.599 CCC(=O)NCCC1CCCN1C 527a_100011219722_100000210414 [1,0,0,1,0,0|2,0,0]=4 18347 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100000741757 [1,0,0,1,0,0|2,0,0]=4 18348 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100000741757 [1,0,0,1,0,0|2,0,0]=4 18349 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100000741757 [1,0,0,1,0,0|2,0,0]=4 18350 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100000741757 [1,0,0,1,0,0|2,0,0]=4 18351 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000741757 [1,0,0,1,0,0|2,0,0]=4 18352 B13R1.599 CNC(=O)CCNC1CCCC1C 269862a_100000738227_100000752053 [1,0,0,1,0,0|2,0,0]=4 18353 B13R1.599 CNC(=O)CCOC1CCCC1C 34a_100011216460_100012179268 [1,0,0,1,0,0|2,0,0]=4 18354 B13R1.599 CNC(=O)CCOC1CCCC1C 7a_100011216460_100000737683 [1,0,0,1,0,0|2,0,0]=4 18355 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011218270 [1,0,0,1,0,0|1,0,0]=3 18356 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011218270 [1,0,0,1,0,0|1,0,0]=3 18357 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011218270 [1,0,0,1,0,0|1,0,0]=3 18358 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011218270 [1,0,0,1,0,0|1,0,0]=3 18359 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 34a_100015189458_100000742333 [1,0,0,1,0,0|1,0,0]=3 18360 B13R1.599 COC(=O)CCCN1CCSC1C 2230a_200011216479_100011218270 [1,0,0,1,0,0|2,0,0]=4 18361 B13R1.599 COC(=O)CCCN1CCSC1C 269982a_200011216479_100011218270 [1,0,0,1,0,0|2,0,0]=4 18362 B13R1.599 COC(=O)CCCN1CCSC1C 34a_200011216479_100000742333 [1,0,0,1,0,0|2,0,0]=4 18363 B13R1.599 COC(=O)CCOC1CCCC1C 34a_100011216460_100000742370 [1,0,0,1,0,0|1,0,0]=3 18364 B13R1.599 COC(=O)CCOC1CCCC1C 7a_100011216460_100000204255 [1,0,0,1,0,0|1,0,0]=3 18365 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000742370 [1,0,0,1,0,0|2,0,0]=4 18366 B13R1.599 COC(=O)CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000742370 [1,0,0,1,0,0|2,0,0]=4 18367 B13R1.599 COC(=O)CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000742370 [1,0,0,1,0,0|2,0,0]=4 18368 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000204255_200016002552 [1,0,0,1,0,0|2,0,0]=4 18369 B13R1.599 COC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000204255 [1,0,0,1,0,0|2,0,0]=4 18370 B13R1.599 COC(=O)COCC1CCCN1C 34a_100000743107_100000747449 [1,0,0,1,0,0|2,0,0]=4 18371 B13R1.613 CCC(=O)NCC1CCCN1CC 11a_100000211693_100000210414 [1,0,0,1,0,0|2,0,0]=4 18372 B13R1.613 CCC(=O)NCC1CCCN1CC 1626a_100000211693_100000210414 [1,0,0,1,0,0|2,0,0]=4 18373 B13R1.613 CCC(=O)NCC1CCCN1CC 240690a_100000211693_100000210414 [1,0,0,1,0,0|2,0,0]=4 18374 B13R1.613 CCC(=O)NCC1CCCN1CC 527a_100000211693_100000210414 [1,0,0,1,0,0|2,0,0]=4 18375 B13R1.613 CCC1CCCC1NCC(=O)NC 269862a_100000693194_100000749056 [1,0,0,1,0,0|2,0,0]=4 18376 B13R1.613 CCC1CCCC1NCC(=O)NC 270004a_100000693194_100000749056 [1,0,0,1,0,0|2,0,0]=4 18377 B13R1.613 CCC1CCCN1CCC(=O)NC 2230a_100000754278_100000737683 [1,0,0,1,0,0|2,0,0]=4 18378 B13R1.613 CCC1CCCN1CCC(=O)NC 269982a_100000754278_100000737683 [1,0,0,1,0,0|2,0,0]=4 18379 B13R1.613 CCC1CCCN1CCC(=O)NC 34a_100000754278_100012179268 [1,0,0,1,0,0|2,0,0]=4 18380 B13R1.613 CCC1CCCN1CCC(=O)OC 2230a_100000754278_100000204255 [1,0,0,1,0,0|1,0,0]=3 18381 B13R1.613 CCC1CCCN1CCC(=O)OC 269982a_100000754278_100000204255 [1,0,0,1,0,0|1,0,0]=3 18382 B13R1.613 CCC1CCCN1CCC(=O)OC 34a_100000754278_100000742370 [1,0,0,1,0,0|1,0,0]=3 18383 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000204255 [1,0,0,1,0,0|2,0,0]=4 18384 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000204255 [1,0,0,1,0,0|2,0,0]=4 18385 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 34a_100000745186_100000742370 [1,0,0,1,0,0|2,0,0]=4 18386 B13R1.718 C#CC(=O)CCCC1CCCCC1 1458a_100000211873_100011713725 [1,0,0,1,0,0|0,0,2]=4 18387 B13R1.718 C=CC(=O)CCCC1CCCCC1 1458a_100000185746_100011713725 [1,0,0,1,0,0|0,0,2]=4 18388 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000210414_100011713725 [1,0,0,1,0,0|0,0,0]=2 18389 B13R1.718 CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210202 [1,0,0,1,0,0|0,0,0]=2 18390 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000210414_100000690320 [1,0,0,1,0,0|1,0,0]=3 18391 B13R1.718 CCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210202 [1,0,0,1,0,0|1,0,0]=3 18392 B13R1.718 CCC(=O)CCCN1CCOCC1 1458a_100000210414_100000748698 [1,0,0,1,0,0|2,0,0]=4 18393 B13R1.718 CCC(=O)CCOC1CCCCC1 1458a_100000210414_100011211530 [1,0,0,1,0,0|1,0,0]=3 18394 B13R1.718 CCC(=O)CCOC1CCCCO1 1458a_100000210414_100000744793 [1,0,0,1,0,0|2,0,0]=4 18395 B13R1.718 CCC(=O)COCC1CCCCC1 34a_100000725409_100000211423 [1,0,0,1,0,0|1,0,0]=3 18396 B13R1.718 CCC(=O)COCC1CCCCC1 7a_100000212181_100000747405 [1,0,0,1,0,0|1,0,0]=3 18397 B13R1.718 CCC(=O)COCC1CCCCO1 1458a_100011223378_100000210202 [1,0,0,1,0,0|2,0,0]=4 18398 B13R1.718 CCC(=O)COCC1CCCCO1 34a_100000725409_100000211543 [1,0,0,1,0,0|2,0,0]=4 18399 B13R1.718 CCC(=O)COCC1CCCCO1 7a_100000211370_100000747405 [1,0,0,1,0,0|2,0,0]=4 18400 B13R1.718 CCC(=O)COCC1CCCOC1 34a_100000725409_100000741521 [1,0,0,1,0,0|2,0,0]=4 18401 B13R1.718 CCC(=O)COCC1CCOCC1 34a_100000725409_100000754603 [1,0,0,1,0,0|2,0,0]=4 18402 B13R1.718 CCC(=O)COCC1CCSCC1 7a_100000070558_100000747405 [1,0,0,1,0,0|2,0,0]=4 18403 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000211423_100000747405 [1,0,0,1,0,0|1,0,0]=3 18404 B13R1.718 CCC(=O)CSCC1CCCCC1 62a_100000747405_100000211423 [1,0,0,1,0,0|1,0,0]=3 18405 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000211543_100000747405 [1,0,0,1,0,0|2,0,0]=4 18406 B13R1.718 CCC(=O)CSCC1CCCCO1 62a_100000747405_100000211543 [1,0,0,1,0,0|2,0,0]=4 18407 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000741521_100000747405 [1,0,0,1,0,0|2,0,0]=4 18408 B13R1.718 CCC(=O)CSCC1CCCOC1 62a_100000747405_100000741521 [1,0,0,1,0,0|2,0,0]=4 18409 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000747405_100000749018 [1,0,0,1,0,0|2,0,0]=4 18410 B13R1.718 CCC(=O)CSCC1CCOCC1 62a_100000754603_100000747405 [1,0,0,1,0,0|2,0,0]=4 18411 B13R1.718 CCC(=O)NCCC1CCCCC1 11a_100000738074_100000210414 [1,0,0,1,0,0|1,0,0]=3 18412 B13R1.718 CCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210414 [1,0,0,1,0,0|1,0,0]=3 18413 B13R1.718 CCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210414 [1,0,0,1,0,0|1,0,0]=3 18414 B13R1.718 CCC(=O)NCCC1CCCCC1 527a_100000738074_100000210414 [1,0,0,1,0,0|1,0,0]=3 18415 B13R1.718 CCC(=O)NCCC1CCCCO1 11a_100015183643_100000210414 [1,0,0,1,0,0|2,0,0]=4 18416 B13R1.718 CCC(=O)NCCC1CCCCO1 1626a_100015183643_100000210414 [1,0,0,1,0,0|2,0,0]=4 18417 B13R1.718 CCC(=O)NCCC1CCCCO1 240690a_100015183643_100000210414 [1,0,0,1,0,0|2,0,0]=4 18418 B13R1.718 CCC(=O)NCCC1CCCCO1 527a_100015183643_100000210414 [1,0,0,1,0,0|2,0,0]=4 18419 B13R1.718 CCC(=O)NCCC1CCOCC1 11a_100000755988_100000210414 [1,0,0,1,0,0|2,0,0]=4 18420 B13R1.718 CCC(=O)NCCC1CCOCC1 1626a_100000755988_100000210414 [1,0,0,1,0,0|2,0,0]=4 18421 B13R1.718 CCC(=O)NCCC1CCOCC1 240690a_100000755988_100000210414 [1,0,0,1,0,0|2,0,0]=4 18422 B13R1.718 CCC(=O)NCCC1CCOCC1 527a_100000755988_100000210414 [1,0,0,1,0,0|2,0,0]=4 18423 B13R1.718 CCC(=O)NCCN1CCCCC1 240690a_100000216509_100000210414 [1,0,0,1,0,0|2,0,0]=4 18424 B13R1.718 CCC(=O)NCCN1CCCCC1 527a_100000216509_100000210414 [1,0,0,1,0,0|2,0,0]=4 18425 B13R1.718 CCC(=O)NNCC1CCCCC1 22a_100000740227_100000210414 [1,0,0,1,0,0|2,0,0]=4 18426 B13R1.718 CCN(C)CCCC1CCCCC1 2230a_100000225621_100011713725 [1,0,0,1,0,0|2,0,0]=4 18427 B13R1.718 CCN(C)CCCC1CCCCC1 269982a_100000225621_100011713725 [1,0,0,1,0,0|2,0,0]=4 18428 B13R1.718 CNC(=O)CCCC1CCCCC1 11a_106832991635_100000211478 [1,0,0,1,0,0|1,0,0]=3 18429 B13R1.718 CNC(=O)CCCC1CCCCC1 1626a_100102657272_100000211478 [1,0,0,1,0,0|1,0,0]=3 18430 B13R1.718 CNC(=O)CCCC1CCCCC1 240690a_100102657272_100000211478 [1,0,0,1,0,0|1,0,0]=3 18431 B13R1.718 CNC(=O)CCCC1CCCCC1 527a_100102657272_100000211478 [1,0,0,1,0,0|1,0,0]=3 18432 B13R1.718 CNC(=O)CCCN1CCCCC1 240690a_100102657272_100000742516 [1,0,0,1,0,0|2,0,0]=4 18433 B13R1.718 CNC(=O)CCNC1CCCCC1 2230a_100000182618_100000737683 [1,0,0,1,0,0|2,0,0]=4 18434 B13R1.718 CNC(=O)CCNC1CCCCC1 270004a_100000738227_100000210434 [1,0,0,1,0,0|2,0,0]=4 18435 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000182618_100012179268 [1,0,0,1,0,0|2,0,0]=4 18436 B13R1.718 CNC(=O)CCNC1CCCCC1 34a_100000738227_100000210327 [1,0,0,1,0,0|2,0,0]=4 18437 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000210231_100012179268 [1,0,0,1,0,0|2,0,0]=4 18438 B13R1.718 CNC(=O)CCOC1CCCCC1 34a_100000754576_100000210327 [1,0,0,1,0,0|2,0,0]=4 18439 B13R1.718 CNC(=O)CCOC1CCCCC1 7a_100000210231_100000737683 [1,0,0,1,0,0|2,0,0]=4 18440 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000210327_100000737683 [1,0,0,1,0,0|2,0,0]=4 18441 B13R1.718 CNC(=O)CCSC1CCCCC1 62a_100000737683_100000210327 [1,0,0,1,0,0|2,0,0]=4 18442 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183359 [1,0,0,1,0,0|2,0,0]=4 18443 B13R1.718 CNC(=O)CNCC1CCCCC1 2230a_100000693194_100000211423 [1,0,0,1,0,0|2,0,0]=4 18444 B13R1.718 CNC(=O)CNCC1CCCCC1 269862a_100000693194_100000211278 [1,0,0,1,0,0|2,0,0]=4 18445 B13R1.718 CNC(=O)CNCC1CCCCC1 34a_100000210473_100000183359 [1,0,0,1,0,0|2,0,0]=4 18446 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000212181_100000183359 [1,0,0,1,0,0|2,0,0]=4 18447 B13R1.718 CNC(=O)COCC1CCCCC1 34a_100000750040_100000211423 [1,0,0,1,0,0|2,0,0]=4 18448 B13R1.718 CNC(=O)COCC1CCCCC1 7a_100000212181_100000183359 [1,0,0,1,0,0|2,0,0]=4 18449 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000183359_100000211423 [1,0,0,1,0,0|2,0,0]=4 18450 B13R1.718 CNC(=O)CSCC1CCCCC1 62a_100000211423_100000183359 [1,0,0,1,0,0|2,0,0]=4 18451 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100000738074_106832991635 [1,0,0,1,0,0|2,0,0]=4 18452 B13R1.718 CNC(=O)NCCC1CCCCC1 2708a_100102657272_100000738074 [1,0,0,1,0,0|2,0,0]=4 18453 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100000738074_100102657272 [1,0,0,1,0,0|2,0,0]=4 18454 B13R1.718 CNC(=O)NCCC1CCCCC1 273464a_100102657272_100000738074 [1,0,0,1,0,0|2,0,0]=4 18455 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_100000738074_100102657272 [1,0,0,1,0,0|2,0,0]=4 18456 B13R1.718 CNC(=O)NCCC1CCCCC1 512a_106832991638_100000738074 [1,0,0,1,0,0|2,0,0]=4 18457 B13R1.718 COC(=O)CCCN1CCCOC1 2230a_100000131196_100011218270 [1,0,0,1,0,0|2,0,0]=4 18458 B13R1.718 COC(=O)CCCN1CCCOC1 269982a_100000131196_100011218270 [1,0,0,1,0,0|2,0,0]=4 18459 B13R1.718 COC(=O)CCCN1CCCOC1 34a_100000131196_100000742333 [1,0,0,1,0,0|2,0,0]=4 18460 B13R1.718 COC(=O)CCCN1CCOCC1 2230a_100015191051_100011218270 [1,0,0,1,0,0|2,0,0]=4 18461 B13R1.718 COC(=O)CCCN1CCOCC1 269982a_100015191051_100011218270 [1,0,0,1,0,0|2,0,0]=4 18462 B13R1.718 COC(=O)CCCN1CCOCC1 34a_100015191051_100000742333 [1,0,0,1,0,0|2,0,0]=4 18463 B13R1.718 COC(=O)CCCN1CCSCC1 2230a_100000737611_100011218270 [1,0,0,1,0,0|2,0,0]=4 18464 B13R1.718 COC(=O)CCCN1CCSCC1 269982a_100000737611_100011218270 [1,0,0,1,0,0|2,0,0]=4 18465 B13R1.718 COC(=O)CCNC1CCCCC1 2230a_100000182618_100000204255 [1,0,0,1,0,0|1,0,0]=3 18466 B13R1.718 COC(=O)CCNC1CCCCC1 34a_100000182618_100000742370 [1,0,0,1,0,0|1,0,0]=3 18467 B13R1.718 COC(=O)CCNC1CCCOC1 2230a_100000719290_100000204255 [1,0,0,1,0,0|2,0,0]=4 18468 B13R1.718 COC(=O)CCNC1CCCOC1 34a_100000719290_100000742370 [1,0,0,1,0,0|2,0,0]=4 18469 B13R1.718 COC(=O)CCNC1CCOCC1 2230a_100000741149_100000204255 [1,0,0,1,0,0|2,0,0]=4 18470 B13R1.718 COC(=O)CCNC1CCOCC1 34a_100000741149_100000742370 [1,0,0,1,0,0|2,0,0]=4 18471 B13R1.718 COC(=O)CCNC1CCSCC1 2230a_100000748639_100000204255 [1,0,0,1,0,0|2,0,0]=4 18472 B13R1.718 COC(=O)CCNC1CCSCC1 34a_100000748639_100000742370 [1,0,0,1,0,0|2,0,0]=4 18473 B13R1.718 COC(=O)CCOC1CCCCC1 34a_100000210231_100000742370 [1,0,0,1,0,0|1,0,0]=3 18474 B13R1.718 COC(=O)CCOC1CCCCC1 7a_100000210231_100000204255 [1,0,0,1,0,0|1,0,0]=3 18475 B13R1.718 COC(=O)CCOC1CCCCO1 34a_100000033831_100000742370 [1,0,0,1,0,0|2,0,0]=4 18476 B13R1.718 COC(=O)CCOC1CCCOC1 34a_100000754041_100000742370 [1,0,0,1,0,0|2,0,0]=4 18477 B13R1.718 COC(=O)CCOC1CCCSC1 7a_100015962668_100000204255 [1,0,0,1,0,0|2,0,0]=4 18478 B13R1.718 COC(=O)CCOC1CCOCC1 34a_100000744328_100000742370 [1,0,0,1,0,0|2,0,0]=4 18479 B13R1.718 COC(=O)CCOC1CCSCC1 34a_100000731022_100000742370 [1,0,0,1,0,0|2,0,0]=4 18480 B13R1.718 COC(=O)CCOC1CCSCC1 7a_100000731022_100000204255 [1,0,0,1,0,0|2,0,0]=4 18481 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000204255_100000210327 [1,0,0,1,0,0|1,0,0]=3 18482 B13R1.718 COC(=O)CCSC1CCCCC1 62a_100000210327_100000204255 [1,0,0,1,0,0|1,0,0]=3 18483 B13R1.718 COC(=O)CCSC1CCCOC1 62a_100000204255_100000693364 [1,0,0,1,0,0|2,0,0]=4 18484 B13R1.718 COC(=O)CCSC1CCOCC1 62a_100000204255_100011324220 [1,0,0,1,0,0|2,0,0]=4 18485 B13R1.718 COC(=O)CCSC1CCSCC1 62a_100000204255_100000069128 [1,0,0,1,0,0|2,0,0]=4 18486 B13R1.718 COC(=O)CNCC1CCCCC1 2230a_100000210473_100000747449 [1,0,0,1,0,0|1,0,0]=3 18487 B13R1.718 COC(=O)CNCC1CCCCC1 34a_100000210473_100000747449 [1,0,0,1,0,0|1,0,0]=3 18488 B13R1.718 COC(=O)CNCC1CCCCO1 2230a_100000174945_100000747449 [1,0,0,1,0,0|2,0,0]=4 18489 B13R1.718 COC(=O)CNCC1CCCCO1 34a_100000174945_100000747449 [1,0,0,1,0,0|2,0,0]=4 18490 B13R1.718 COC(=O)CNCC1CCCOC1 2230a_100000720124_100000747449 [1,0,0,1,0,0|2,0,0]=4 18491 B13R1.718 COC(=O)CNCC1CCCOC1 34a_100000720124_100000747449 [1,0,0,1,0,0|2,0,0]=4 18492 B13R1.718 COC(=O)CNCC1CCOCC1 2230a_100000746373_100000747449 [1,0,0,1,0,0|2,0,0]=4 18493 B13R1.718 COC(=O)CNCC1CCOCC1 34a_100000746373_100000747449 [1,0,0,1,0,0|2,0,0]=4 18494 B13R1.718 COC(=O)CNCC1CCSCC1 2230a_100015188806_100000747449 [1,0,0,1,0,0|2,0,0]=4 18495 B13R1.718 COC(=O)CNCC1CCSCC1 34a_100015188806_100000747449 [1,0,0,1,0,0|2,0,0]=4 18496 B13R1.718 COC(=O)COCC1CCCCC1 34a_100000212181_100000747449 [1,0,0,1,0,0|1,0,0]=3 18497 B13R1.718 COC(=O)COCC1CCCCC1 7a_100000212181_100000747449 [1,0,0,1,0,0|1,0,0]=3 18498 B13R1.718 COC(=O)COCC1CCCCN1 34a_100000210821_100000747449 [1,0,0,1,0,0|2,0,0]=4 18499 B13R1.718 COC(=O)COCC1CCCCO1 34a_100000211370_100000747449 [1,0,0,1,0,0|2,0,0]=4 18500 B13R1.718 COC(=O)COCC1CCCCO1 7a_100000211370_100000747449 [1,0,0,1,0,0|2,0,0]=4 18501 B13R1.718 COC(=O)COCC1CCCNC1 34a_100000211344_100000747449 [1,0,0,1,0,0|2,0,0]=4 18502 B13R1.718 COC(=O)COCC1CCCOC1 34a_100000741520_100000747449 [1,0,0,1,0,0|2,0,0]=4 18503 B13R1.718 COC(=O)COCC1CCNCC1 34a_100000738675_100000747449 [1,0,0,1,0,0|2,0,0]=4 18504 B13R1.718 COC(=O)COCC1CCOCC1 34a_100000749013_100000747449 [1,0,0,1,0,0|2,0,0]=4 18505 B13R1.718 COC(=O)COCC1CCSCC1 34a_100000070558_100000747449 [1,0,0,1,0,0|2,0,0]=4 18506 B13R1.718 COC(=O)COCC1CCSCC1 7a_100000070558_100000747449 [1,0,0,1,0,0|2,0,0]=4 18507 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000211423_100000747449 [1,0,0,1,0,0|1,0,0]=3 18508 B13R1.718 COC(=O)CSCC1CCCCC1 62a_100000747449_100000211423 [1,0,0,1,0,0|1,0,0]=3 18509 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000211543_100000747449 [1,0,0,1,0,0|2,0,0]=4 18510 B13R1.718 COC(=O)CSCC1CCCCO1 62a_100000747449_100000211543 [1,0,0,1,0,0|2,0,0]=4 18511 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000741521_100000747449 [1,0,0,1,0,0|2,0,0]=4 18512 B13R1.718 COC(=O)CSCC1CCCOC1 62a_100000747449_100000741521 [1,0,0,1,0,0|2,0,0]=4 18513 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000747449_100000749018 [1,0,0,1,0,0|2,0,0]=4 18514 B13R1.718 COC(=O)CSCC1CCOCC1 62a_100000754603_100000747449 [1,0,0,1,0,0|2,0,0]=4 18515 B13R1.718 COC(=O)OCSC1CCCCC1 62a_100000210327_100000139417 [1,0,0,1,0,0|2,0,0]=4 18516 B13R1.718 O=C(CF)CCCC1CCCCC1 1458a_100000211478_100015361967 [1,0,0,1,0,0|1,0,0]=3 18517 B13R1.718 O=C(CF)CCCN1CCCCC1 1458a_100000742516_100015361967 [1,0,0,1,0,0|2,0,0]=4 18518 B13R1.718 O=C(CO)CCCC1CCCCC1 1458a_100000210174_100011713725 [1,0,0,1,0,0|1,0,0]=3 18519 B13R1.718 O=C(CO)CCCN1CCCCC1 1458a_100000210174_100000690320 [1,0,0,1,0,0|2,0,0]=4 18520 B13R1.718 O=C(CO)CCOC1CCCCC1 1458a_100000210174_100011211530 [1,0,0,1,0,0|2,0,0]=4 18521 B13R1.718 O=C(CO)NCCC1CCCCC1 240690a_100000738074_100000210174 [1,0,0,1,0,0|2,0,0]=4 18522 B13R1.718 O=C(CO)NCCC1CCCCC1 527a_100000738074_100000210174 [1,0,0,1,0,0|2,0,0]=4 18523 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [1,0,0,1,0,0|1,0,0]=3 18524 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [1,0,0,1,0,0|1,0,0]=3 18525 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [1,0,0,1,0,0|1,0,0]=3 18526 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [1,0,0,1,0,0|1,0,0]=3 18527 B13R1.1689 CNC(=O)N1CCCCCCCC1 2708a_100102657272_100000039187 [1,0,0,1,0,0|2,0,0]=4 18528 B13R1.1689 CNC(=O)N1CCCCCCCC1 273464a_100102657272_100000039187 [1,0,0,1,0,0|2,0,0]=4 18529 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [1,0,0,1,0,0|2,0,0]=4 18530 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [1,0,0,1,0,0|2,0,0]=4 18531 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [1,0,0,1,0,0|1,0,0]=3 18532 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [1,0,0,1,0,0|1,0,0]=3 18533 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [1,0,0,1,0,0|1,0,0]=3 18534 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [1,0,0,1,0,0|1,0,0]=3 18535 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [1,0,0,1,0,0|1,0,0]=3 18536 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [1,0,0,1,0,0|1,0,0]=3 18537 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [1,0,0,1,0,0|1,0,0]=3 18538 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [1,0,0,1,0,0|1,0,0]=3 18539 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [1,0,0,1,0,0|1,0,0]=3 18540 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [1,0,0,1,0,0|1,0,0]=3 18541 B13R1.1711 CNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737683 [1,0,0,1,0,0|2,0,0]=4 18542 B13R1.1711 CNC(=O)CCN1CCCCCC1 240690a_100102657272_100000740320 [1,0,0,1,0,0|2,0,0]=4 18543 B13R1.1711 CNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737683 [1,0,0,1,0,0|2,0,0]=4 18544 B13R1.1711 CNC(=O)CCN1CCCCCC1 34a_100000185865_100012179268 [1,0,0,1,0,0|2,0,0]=4 18545 B13R1.1711 CNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183359 [1,0,0,1,0,0|2,0,0]=4 18546 B13R1.1711 CNC(=O)CNC1CCCCCC1 270004a_100000693194_100000210131 [1,0,0,1,0,0|2,0,0]=4 18547 B13R1.1711 CNC(=O)CNC1CCCCCC1 34a_100000210984_100000183359 [1,0,0,1,0,0|2,0,0]=4 18548 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000210887_100000183359 [1,0,0,1,0,0|2,0,0]=4 18549 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000750040_100011217769 [1,0,0,1,0,0|2,0,0]=4 18550 B13R1.1711 CNC(=O)COC1CCCCCC1 7a_100000210887_100000183359 [1,0,0,1,0,0|2,0,0]=4 18551 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100000183359_100011217769 [1,0,0,1,0,0|2,0,0]=4 18552 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100011217769_100000183359 [1,0,0,1,0,0|2,0,0]=4 18553 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [1,0,0,1,0,0|2,0,0]=4 18554 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [1,0,0,1,0,0|2,0,0]=4 18555 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [1,0,0,1,0,0|2,0,0]=4 18556 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [1,0,0,1,0,0|2,0,0]=4 18557 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [1,0,0,1,0,0|2,0,0]=4 18558 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [1,0,0,1,0,0|1,0,0]=3 18559 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [1,0,0,1,0,0|1,0,0]=3 18560 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [1,0,0,1,0,0|1,0,0]=3 18561 B13R1.1711 COC(=O)CCN1CCCOCC1 2230a_100000685342_100000204255 [1,0,0,1,0,0|2,0,0]=4 18562 B13R1.1711 COC(=O)CCN1CCCOCC1 269982a_100000685342_100000204255 [1,0,0,1,0,0|2,0,0]=4 18563 B13R1.1711 COC(=O)CCN1CCCOCC1 34a_100000685342_100000742370 [1,0,0,1,0,0|2,0,0]=4 18564 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [1,0,0,1,0,0|1,0,0]=3 18565 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [1,0,0,1,0,0|1,0,0]=3 18566 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [1,0,0,1,0,0|1,0,0]=3 18567 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [1,0,0,1,0,0|1,0,0]=3 18568 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [1,0,0,1,0,0|1,0,0]=3 18569 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [1,0,0,1,0,0|1,0,0]=3 18570 B13R1.1711 O=C(CF)CCN1CCCCCC1 1458a_100000740320_100015361967 [1,0,0,1,0,0|2,0,0]=4 18571 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [1,0,0,1,0,0|2,0,0]=4 18572 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [1,0,0,1,0,0|2,0,0]=4 18573 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [1,0,0,1,0,0|2,0,0]=4 18574 B13R1.1870 CCC(=O)CN1CCCCCCC1 269982a_100000211400_100000747405 [1,0,0,1,0,0|1,0,0]=3 18575 B13R1.1870 CCC(=O)NC1CCCCCCC1 11a_100000211152_100000210414 [1,0,0,1,0,0|1,0,0]=3 18576 B13R1.1870 CCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210414 [1,0,0,1,0,0|1,0,0]=3 18577 B13R1.1870 CCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210414 [1,0,0,1,0,0|1,0,0]=3 18578 B13R1.1870 CCC(=O)NC1CCCCCCC1 527a_100000211152_100000210414 [1,0,0,1,0,0|1,0,0]=3 18579 B13R1.1870 CNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183359 [1,0,0,1,0,0|2,0,0]=4 18580 B13R1.1870 CNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183359 [1,0,0,1,0,0|2,0,0]=4 18581 B13R1.1870 CNC(=O)CN1CCCCCCC1 34a_100000211400_100000183359 [1,0,0,1,0,0|2,0,0]=4 18582 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100000211152_106832991635 [1,0,0,1,0,0|2,0,0]=4 18583 B13R1.1870 CNC(=O)NC1CCCCCCC1 2708a_100102657272_100000211152 [1,0,0,1,0,0|2,0,0]=4 18584 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100000211152_100102657272 [1,0,0,1,0,0|2,0,0]=4 18585 B13R1.1870 CNC(=O)NC1CCCCCCC1 273464a_100102657272_100000211152 [1,0,0,1,0,0|2,0,0]=4 18586 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_100000211152_100102657272 [1,0,0,1,0,0|2,0,0]=4 18587 B13R1.1870 CNC(=O)NC1CCCCCCC1 512a_106832991638_100000211152 [1,0,0,1,0,0|2,0,0]=4 18588 B13R1.1870 COC(=O)CN1CCCCCCC1 2230a_100000211400_100000747449 [1,0,0,1,0,0|1,0,0]=3 18589 B13R1.1870 COC(=O)CN1CCCCCCC1 269982a_100000211400_100000747449 [1,0,0,1,0,0|1,0,0]=3 18590 B13R1.1870 COC(=O)CN1CCCCCCC1 34a_100000211400_100000747449 [1,0,0,1,0,0|1,0,0]=3 18591 B13R1.1870 O=C(CO)NC1CCCCCCC1 240690a_100000211152_100000210174 [1,0,0,1,0,0|2,0,0]=4 18592 B13R1.1870 O=C(CO)NC1CCCCCCC1 527a_100000211152_100000210174 [1,0,0,1,0,0|2,0,0]=4 18593 B13R1.1885 CCCCCCN1CC1C(=O)OC 2230a_200009830135_100000210314 [1,0,0,1,0,0|1,0,0]=3 18594 B13R1.1885 CCCCOCN1CC1C(=O)OC 2230a_200009830135_100011995733 [1,0,0,1,0,0|2,0,0]=4 18595 B13R1.1885 CCCOCCN1CC1C(=O)OC 2230a_200009830135_100011215938 [1,0,0,1,0,0|2,0,0]=4 18596 B13R1.1885 CCOCCCN1CC1C(=O)OC 2230a_200009830135_100012232248 [1,0,0,1,0,0|2,0,0]=4 18597 B13R1.1885 COC(=O)C1CN1CCCCCF 2230a_200009830135_100000729378 [1,0,0,1,0,0|2,0,0]=4 18598 B13R1.1885 COC(=O)C1CN1CCCCCO 2230a_200009830135_100000746330 [1,0,0,1,0,0|2,0,0]=4 18599 B13R1.1885 COCCCCN1CC1C(=O)OC 2230a_200009830135_100000730899 [1,0,0,1,0,0|2,0,0]=4 18600 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210326 [1,0,0,1,0,0|1,0,0]=3 18601 B13R1.2855 CCCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000210215 [1,0,0,1,0,0|1,0,0]=3 18602 B13R1.2855 CCOCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100011215890 [1,0,0,1,0,0|2,0,0]=4 18603 B13R1.2855 CCOCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100011215890 [1,0,0,1,0,0|2,0,0]=4 18604 B13R1.2855 CCSCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000757381 [1,0,0,1,0,0|2,0,0]=4 18605 B13R1.2855 CCSCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000757381 [1,0,0,1,0,0|2,0,0]=4 18606 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 2230a_102516456887_100000729493 [1,0,0,1,0,0|2,0,0]=4 18607 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCF 269982a_102516456887_100000729493 [1,0,0,1,0,0|2,0,0]=4 18608 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 2230a_102516456887_100000210776 [1,0,0,1,0,0|2,0,0]=4 18609 B13R1.2855 COC(=O)[C@@H]1CCN1CCCCO 269982a_102516456887_100000210776 [1,0,0,1,0,0|2,0,0]=4 18610 B13R1.2855 COCCCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000740836 [1,0,0,1,0,0|2,0,0]=4 18611 B13R1.2855 COCCCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000740836 [1,0,0,1,0,0|2,0,0]=4 18612 B15R1.292 CCOC(=O)CCCN1CC(C1)COC 2230a_100016993750_100009991533 [0,1,0,1,0,0|2,0,0]=4 18613 B15R1.292 CCOC(=O)CCCN1CC(C1)COC 269982a_100016993750_100009991533 [0,1,0,1,0,0|2,0,0]=4 18614 B15R1.292 CCOC(=O)CCCN1CC(C1)COC 34a_100016993750_100009991533 [0,1,0,1,0,0|2,0,0]=4 18615 B15R1.292 CCOC(=O)CCCN1CC(C1)OCC 269982a_100000732654_100009991533 [0,1,0,1,0,0|2,0,0]=4 18616 B15R1.292 CCOC(=O)CCCN1CC(C1)OCC 34a_100000732654_100009991533 [0,1,0,1,0,0|2,0,0]=4 18617 B15R1.292 CCOC(=O)CCNC1CC(C1)COC 2230a_100012180050_100011206558 [0,1,0,1,0,0|2,0,0]=4 18618 B15R1.633 CCCC(=O)CNCC1CCCC(C1)O 2230a_100011254705_100000747444 [0,1,0,1,0,0|2,0,0]=4 18619 B15R1.633 CCCC(C)COCC1CCNC(=O)C1 34a_100009886756_100011216630 [0,1,0,1,0,0|2,0,0]=4 18620 B15R1.633 CCNC(=O)CCNC1CCCC(C1)C 2230a_100011194320_100000737597 [0,1,0,1,0,0|2,0,0]=4 18621 B15R1.633 CCNC(=O)CCNC1CCCC(C1)C 270004a_100025743525_100000183594 [0,1,0,1,0,0|2,0,0]=4 18622 B15R1.633 CCNC(=O)CCNC1CCCC(C1)O 2230a_100015190357_100000737597 [0,1,0,1,0,0|2,0,0]=4 18623 B15R1.633 CCNC(=O)CCNC1CCCC(C1)O 270004a_100025743525_100012613340 [0,1,0,1,0,0|2,0,0]=4 18624 B15R1.633 CCNC(=O)CNCC1CCCC(C1)O 2230a_100011254705_100000183381 [0,1,0,1,0,0|2,0,0]=4 18625 B15R1.633 CCOC(=O)CCCN1CCCC(C1)F 2230a_100000697950_100009991533 [0,1,0,1,0,0|1,0,0]=3 18626 B15R1.633 CCOC(=O)CCCN1CCCC(C1)F 269982a_100000697950_100009991533 [0,1,0,1,0,0|1,0,0]=3 18627 B15R1.633 CCOC(=O)CCCN1CCCC(C1)F 34a_100000697950_100009991533 [0,1,0,1,0,0|1,0,0]=3 18628 B15R1.633 CCOC(=O)CCCN1CCCC(C1)O 2230a_100000211013_100009991533 [0,1,0,1,0,0|1,0,0]=3 18629 B15R1.633 CCOC(=O)CCCN1CCCC(C1)O 269982a_100000211013_100009991533 [0,1,0,1,0,0|1,0,0]=3 18630 B15R1.633 CCOC(=O)CCCN1CCC[C@@H](C1)C 2230a_100000717927_100009991533 [0,1,0,1,0,0|1,0,0]=3 18631 B15R1.633 CCOC(=O)CCCN1CCC[C@@H](C1)C 269982a_100000717927_100009991533 [0,1,0,1,0,0|1,0,0]=3 18632 B15R1.633 CCOC(=O)CCCN1CCC[C@@H](C1)C 34a_100000717927_100009991533 [0,1,0,1,0,0|1,0,0]=3 18633 B15R1.633 CCOC(=O)CCCN1CCOC(C1)C 2230a_100000729577_100009991533 [0,1,0,1,0,0|2,0,0]=4 18634 B15R1.633 CCOC(=O)CCCN1CCOC(C1)C 269982a_100000729577_100009991533 [0,1,0,1,0,0|2,0,0]=4 18635 B15R1.633 CCOC(=O)CCCN1CCOC(C1)C 34a_100000729577_100009991533 [0,1,0,1,0,0|2,0,0]=4 18636 B15R1.633 CCOC(=O)CCCN1CCOC(C1)O 2230a_100000688207_100009991533 [0,1,0,1,0,0|2,0,0]=4 18637 B15R1.633 CCOC(=O)CCCN1CCOC(C1)O 269982a_100000688207_100009991533 [0,1,0,1,0,0|2,0,0]=4 18638 B15R1.633 CCOC(=O)CCNC1CCCC(C1)C 2230a_100011194320_100011206558 [0,1,0,1,0,0|1,0,0]=3 18639 B15R1.633 CCOC(=O)CCNC1CCCC(C1)C 34a_100011194320_100000765890 [0,1,0,1,0,0|1,0,0]=3 18640 B15R1.633 CCOC(=O)CCNC1CCCC(C1)O 2230a_100015190357_100011206558 [0,1,0,1,0,0|1,0,0]=3 18641 B15R1.633 CCOC(=O)CCOC1C=C(CCC1)C 34a_100011218613_100000765890 [0,1,0,1,0,0|1,0,1]=4 18642 B15R1.633 CCOC(=O)CCOC1CCCC(=O)C1 34a_100012613340_100000765890 [0,1,0,1,0,0|1,0,1]=4 18643 B15R1.633 CCOC(=O)CCOC1CCCC(C1)C 34a_100000211399_100000765890 [0,1,0,1,0,0|1,0,0]=3 18644 B15R1.633 CCOC(=O)CCOC1CCOC(C1)C 34a_100011986385_100000765890 [0,1,0,1,0,0|2,0,0]=4 18645 B15R1.633 CCOC(=O)CCOC1CCOC(C1)C 7a_100011986385_100011206558 [0,1,0,1,0,0|2,0,0]=4 18646 B15R1.633 CCOC(=O)CNCC1CCCC(C1)O 2230a_100011254705_100000188475 [0,1,0,1,0,0|1,0,0]=3 18647 B15R1.633 CCOC(=O)COCC1CNCC(C1)C 34a_200012821172_100000188475 [0,1,0,1,0,0|2,0,0]=4 18648 B15R1.633 CCOC(=O)CSCC1CCCN(C1)C 62a_100000188475_100000752043 [0,1,0,1,0,0|2,0,0]=4 18649 B15R1.633 CCOC(=O)CSCC1CCCN(C1)C 62a_100000752043_100000188475 [0,1,0,1,0,0|2,0,0]=4 18650 B15R1.633 CCOC(=O)NCCN1CCCC(C1)F 269982a_100000697950_200011445536 [0,1,0,1,0,0|2,0,0]=4 18651 B15R1.633 CCOC(=O)NCCN1CCCC(C1)O 269982a_100000211013_200011445536 [0,1,0,1,0,0|2,0,0]=4 18652 B15R1.633 CCOC(=O)NCCN1CCC[C@@H](C1)C 269982a_100000717927_200011445536 [0,1,0,1,0,0|2,0,0]=4 18653 B15R1.784 C=C1CC(C1)CNCCCC(=O)OCC 2230a_100102567296_100009991533 [0,1,0,1,0,0|1,0,1]=4 18654 B15R1.784 C=C1CC(C1)CNCCCC(=O)OCC 34a_100102567296_100009991533 [0,1,0,1,0,0|1,0,1]=4 18655 B15R1.784 C=C1CC(C1)COCCCC(=O)OCC 34a_100011011225_100009991533 [0,1,0,1,0,0|1,0,1]=4 18656 B15R1.784 C=C1CC(C1)NCCCCC(=O)OCC 2230a_100132301982_100000750268 [0,1,0,1,0,0|1,0,1]=4 18657 B15R1.784 CCOC(=O)CCCCCN1CC(C1)C 2230a_100000702820_100000755133 [0,1,0,1,0,0|1,0,0]=3 18658 B15R1.784 CCOC(=O)CCCCCN1CC(C1)C 269982a_100000702820_100000755133 [0,1,0,1,0,0|1,0,0]=3 18659 B15R1.784 CCOC(=O)CCCCCN1CC(C1)C 34a_100000702820_100000755133 [0,1,0,1,0,0|1,0,0]=3 18660 B15R1.784 CCOC(=O)CCCCCN1CC(C1)F 2230a_100000690557_100000755133 [0,1,0,1,0,0|1,0,0]=3 18661 B15R1.784 CCOC(=O)CCCCCN1CC(C1)F 269982a_100000690557_100000755133 [0,1,0,1,0,0|1,0,0]=3 18662 B15R1.784 CCOC(=O)CCCCCN1CC(C1)F 34a_100000690557_100000755133 [0,1,0,1,0,0|1,0,0]=3 18663 B15R1.784 CCOC(=O)CCCCCN1CC(C1)O 269982a_100000749847_100000755133 [0,1,0,1,0,0|1,0,0]=3 18664 B15R1.784 CCOC(=O)CCCCNC1CC(C1)F 2230a_100016993743_100000750268 [0,1,0,1,0,0|1,0,0]=3 18665 B15R1.784 CCOC(=O)CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000750268 [0,1,0,1,0,0|1,0,0]=3 18666 B15R1.784 CCOC(=O)CCCCSC1CC(=O)C1 62a_100009894365_100000750268 [0,1,0,1,0,0|1,0,1]=4 18667 B15R1.784 CCOC(=O)CCCNCC1CC(C1)O 2230a_100016992100_100009991533 [0,1,0,1,0,0|1,0,0]=3 18668 B15R1.784 CCOC(=O)CCCOCC1CC(=O)C1 34a_100000101936_100009991533 [0,1,0,1,0,0|1,0,1]=4 18669 B15R1.784 CCOC(=O)CCCOCC1CC(=O)C1 7a_100012001163_100009874392 [0,1,0,1,0,0|1,0,1]=4 18670 B15R1.784 CCOC(=O)CCCOCC1CC(C1)Cl 34a_100009874164_100009991533 [0,1,0,1,0,0|1,0,0]=3 18671 B15R1.784 CCOC(=O)CCCSCC1CC(=O)C1 62a_100009874392_100009991533 [0,1,0,1,0,0|1,0,1]=4 18672 B15R1.784 CCOC(=O)CCCSCC1CC(=O)C1 62a_100009991533_100009874392 [0,1,0,1,0,0|1,0,1]=4 18673 B15R1.784 CCOC(=O)COCCCN1CC(C1)C 2230a_100000702820_100009893628 [0,1,0,1,0,0|2,0,0]=4 18674 B15R1.784 CCOC(=O)COCCCN1CC(C1)C 269982a_100000702820_100009893628 [0,1,0,1,0,0|2,0,0]=4 18675 B15R1.784 CCOC(=O)COCCCN1CC(C1)C 34a_100000702820_100009893628 [0,1,0,1,0,0|2,0,0]=4 18676 B15R1.784 CCOC(=O)COCCCN1CC(C1)F 2230a_100000690557_100009893628 [0,1,0,1,0,0|2,0,0]=4 18677 B15R1.784 CCOC(=O)COCCCN1CC(C1)F 269982a_100000690557_100009893628 [0,1,0,1,0,0|2,0,0]=4 18678 B15R1.784 CCOC(=O)COCCCN1CC(C1)F 34a_100000690557_100009893628 [0,1,0,1,0,0|2,0,0]=4 18679 B15R1.784 CCOC(=O)COCCCN1CC(C1)O 269982a_100000749847_100009893628 [0,1,0,1,0,0|2,0,0]=4 18680 B15R1.784 CCOC(=O)COCCNC1CC(C1)F 2230a_100016993743_100000088970 [0,1,0,1,0,0|2,0,0]=4 18681 B15R1.784 CCOC(=O)COCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000088970 [0,1,0,1,0,0|2,0,0]=4 18682 B15R1.791 CCCC(=O)COC1CCC(CC1C)C 7a_100011539931_100000747444 [0,1,0,1,0,0|2,0,0]=4 18683 B15R1.791 CCNC(=O)COC1CCC(CC1C)C 34a_100011539931_100000183381 [0,1,0,1,0,0|2,0,0]=4 18684 B15R1.791 CCNC(=O)COC1CCC(CC1C)C 7a_100011539931_100000183381 [0,1,0,1,0,0|2,0,0]=4 18685 B15R1.791 CCOC(=O)CCN1CCN(C[C@@H]1C)C 2230a_100012002466_100011206558 [0,1,0,1,0,0|2,0,0]=4 18686 B15R1.791 CCOC(=O)CCN1CCN(C[C@@H]1C)C 269982a_100012002466_100011206558 [0,1,0,1,0,0|2,0,0]=4 18687 B15R1.791 CCOC(=O)COC1CCC(CC1C)C 34a_100011539931_100000188475 [0,1,0,1,0,0|1,0,0]=3 18688 B15R1.791 CCOC(=O)COC1CCC(CC1C)C 7a_100011539931_100000188475 [0,1,0,1,0,0|1,0,0]=3 18689 B15R1.795 C=COC(=O)CNCCCC1CCCC1 2230a_100000736752_100000036128 [0,1,0,1,0,0|0,0,2]=4 18690 B15R1.795 C=COC(=O)CNCCCC1CCCC1 34a_100000736752_100000036128 [0,1,0,1,0,0|0,0,2]=4 18691 B15R1.795 C=COC(=O)COCCCC1CCCC1 34a_100011215328_100000036128 [0,1,0,1,0,0|0,0,2]=4 18692 B15R1.795 C=COC(=O)CSCCCC1CCCC1 62a_100000036128_100011713738 [0,1,0,1,0,0|0,0,2]=4 18693 B15R1.795 C=COC(=O)CSCCCC1CCCC1 62a_100011713738_100000036128 [0,1,0,1,0,0|0,0,2]=4 18694 B15R1.795 CCCC(=O)CNCCCC1CCCC1 2230a_100000736752_100000747444 [0,1,0,1,0,0|1,0,0]=3 18695 B15R1.795 CCCC(=O)COCCCC1CCCC1 7a_100011215328_100000747444 [0,1,0,1,0,0|1,0,0]=3 18696 B15R1.795 CCCC(=O)COCCOC1CCCC1 7a_100000738311_100000747444 [0,1,0,1,0,0|2,0,0]=4 18697 B15R1.795 CCCC(=O)CSCCCC1CCCC1 62a_100000747444_100011713738 [0,1,0,1,0,0|1,0,0]=3 18698 B15R1.795 CCCC(=O)CSCCCC1CCCC1 62a_100011713738_100000747444 [0,1,0,1,0,0|1,0,0]=3 18699 B15R1.795 CCCC(=O)CSCCCN1CCCC1 62a_100000747444_100011445909 [0,1,0,1,0,0|2,0,0]=4 18700 B15R1.795 CCCC(=O)CSCCCN1CCCC1 62a_100016991639_100000747444 [0,1,0,1,0,0|2,0,0]=4 18701 B15R1.795 CCCC(=O)NCCCCN1CCCC1 1626a_100000740493_100000211992 [0,1,0,1,0,0|2,0,0]=4 18702 B15R1.795 CCCC(=O)NCCCCN1CCCC1 240690a_100000740493_100000211992 [0,1,0,1,0,0|2,0,0]=4 18703 B15R1.795 CCCC(=O)NCCCOC1CCCC1 11a_100000747560_100000211992 [0,1,0,1,0,0|2,0,0]=4 18704 B15R1.795 CCCC(=O)NCCCOC1CCCC1 1626a_100000747560_100000211992 [0,1,0,1,0,0|2,0,0]=4 18705 B15R1.795 CCCC(=O)NCCCOC1CCCC1 240690a_100000747560_100000211992 [0,1,0,1,0,0|2,0,0]=4 18706 B15R1.795 CCCC(=O)NCCCOC1CCCC1 527a_100000747560_100000211992 [0,1,0,1,0,0|2,0,0]=4 18707 B15R1.795 CCCC(=O)OCNCCC1CCCC1 2230a_100000739158_100000034017 [0,1,0,1,0,0|2,0,0]=4 18708 B15R1.795 CCCC(=O)OCNCCC1CCCC1 34a_100000739158_100000034017 [0,1,0,1,0,0|2,0,0]=4 18709 B15R1.795 CCCC(=O)OCOCCC1CCCC1 34a_100000749090_100000034017 [0,1,0,1,0,0|2,0,0]=4 18710 B15R1.795 CCCC(=O)OCSCCC1CCCC1 62a_100000760354_100000034017 [0,1,0,1,0,0|2,0,0]=4 18711 B15R1.795 CCNC(=O)CCNCCC1CCCC1 2230a_100000739158_100000737597 [0,1,0,1,0,0|1,0,0]=3 18712 B15R1.795 CCNC(=O)CCNCCC1CCCC1 34a_100025743525_100000760354 [0,1,0,1,0,0|1,0,0]=3 18713 B15R1.795 CCNC(=O)CCOCCC1CCCC1 7a_100000749090_100000737597 [0,1,0,1,0,0|1,0,0]=3 18714 B15R1.795 CCNC(=O)CCSCCC1CCCC1 62a_100000737597_100000760354 [0,1,0,1,0,0|1,0,0]=3 18715 B15R1.795 CCNC(=O)CCSCCC1CCCC1 62a_100000760354_100000737597 [0,1,0,1,0,0|1,0,0]=3 18716 B15R1.795 CCNC(=O)CCSCCN1CCCC1 62a_100000700749_100000737597 [0,1,0,1,0,0|2,0,0]=4 18717 B15R1.795 CCNC(=O)CCSCCN1CCCC1 62a_100000737597_100000004467 [0,1,0,1,0,0|2,0,0]=4 18718 B15R1.795 CCNC(=O)CNCCCC1CCCC1 2230a_100000736752_100000183381 [0,1,0,1,0,0|1,0,0]=3 18719 B15R1.795 CCNC(=O)CNCCCC1CCCC1 2230a_100016988866_100011713738 [0,1,0,1,0,0|1,0,0]=3 18720 B15R1.795 CCNC(=O)CNCCCC1CCCC1 34a_100000736752_100000183381 [0,1,0,1,0,0|1,0,0]=3 18721 B15R1.795 CCNC(=O)CNCCCN1CCCC1 2230a_100016988866_100011445909 [0,1,0,1,0,0|2,0,0]=4 18722 B15R1.795 CCNC(=O)CNCCOC1CCCC1 34a_100000741755_100000183381 [0,1,0,1,0,0|2,0,0]=4 18723 B15R1.795 CCNC(=O)COCCCC1CCCC1 34a_100011215328_100000183381 [0,1,0,1,0,0|1,0,0]=3 18724 B15R1.795 CCNC(=O)COCCCC1CCCC1 7a_100011215328_100000183381 [0,1,0,1,0,0|1,0,0]=3 18725 B15R1.795 CCNC(=O)COCCNC1CCCC1 34a_200000200444_100000183381 [0,1,0,1,0,0|2,0,0]=4 18726 B15R1.795 CCNC(=O)COCCOC1CCCC1 34a_100000738311_100000183381 [0,1,0,1,0,0|2,0,0]=4 18727 B15R1.795 CCNC(=O)COCCOC1CCCC1 7a_100000738311_100000183381 [0,1,0,1,0,0|2,0,0]=4 18728 B15R1.795 CCNC(=O)CSCCCC1CCCC1 62a_100000183381_100011713738 [0,1,0,1,0,0|1,0,0]=3 18729 B15R1.795 CCNC(=O)CSCCCC1CCCC1 62a_100011713738_100000183381 [0,1,0,1,0,0|1,0,0]=3 18730 B15R1.795 CCNC(=O)CSCCCN1CCCC1 62a_100000183381_100011445909 [0,1,0,1,0,0|2,0,0]=4 18731 B15R1.795 CCNC(=O)CSCCCN1CCCC1 62a_100016991639_100000183381 [0,1,0,1,0,0|2,0,0]=4 18732 B15R1.795 CCNC(=O)NCCCCN1CCCC1 2708a_100000740493_100015525214 [0,1,0,1,0,0|2,0,0]=4 18733 B15R1.795 CCNC(=O)NCCCCN1CCCC1 2708a_100015525214_100000740493 [0,1,0,1,0,0|2,0,0]=4 18734 B15R1.795 CCNC(=O)NCCCCN1CCCC1 273464a_100000740493_100015525214 [0,1,0,1,0,0|2,0,0]=4 18735 B15R1.795 CCNC(=O)NCCCCN1CCCC1 273464a_100015525214_100000740493 [0,1,0,1,0,0|2,0,0]=4 18736 B15R1.795 CCNC(=O)NCCCCN1CCCC1 512a_100000740493_100015525214 [0,1,0,1,0,0|2,0,0]=4 18737 B15R1.795 CCNC(=O)NCCCCN1CCCC1 512a_100015525214_100000740493 [0,1,0,1,0,0|2,0,0]=4 18738 B15R1.795 CCNC(=O)NCCCOC1CCCC1 2708a_100000747560_100015525214 [0,1,0,1,0,0|2,0,0]=4 18739 B15R1.795 CCNC(=O)NCCCOC1CCCC1 2708a_100015525214_100000747560 [0,1,0,1,0,0|2,0,0]=4 18740 B15R1.795 CCNC(=O)NCCCOC1CCCC1 273464a_100000747560_100015525214 [0,1,0,1,0,0|2,0,0]=4 18741 B15R1.795 CCNC(=O)NCCCOC1CCCC1 273464a_100015525214_100000747560 [0,1,0,1,0,0|2,0,0]=4 18742 B15R1.795 CCNC(=O)NCCCOC1CCCC1 512a_100000747560_100015525214 [0,1,0,1,0,0|2,0,0]=4 18743 B15R1.795 CCNC(=O)NCCCOC1CCCC1 512a_100015525214_100000747560 [0,1,0,1,0,0|2,0,0]=4 18744 B15R1.795 CCOC(=O)/C=C/CNCC1CCCC1 2230a_100000737975_100016267167 [0,1,0,1,0,0|0,0,2]=4 18745 B15R1.795 CCOC(=O)/C=C/CNCC1CCCC1 34a_100000737975_100016267167 [0,1,0,1,0,0|0,0,2]=4 18746 B15R1.795 CCOC(=O)/C=C/COCC1CCCC1 34a_100000742336_100016267167 [0,1,0,1,0,0|0,0,2]=4 18747 B15R1.795 CCOC(=O)/C=C/COCC1CCCC1 7a_100000742336_100016267167 [0,1,0,1,0,0|0,0,2]=4 18748 B15R1.795 CCOC(=O)/C=C/CSCC1CCCC1 62a_100000740388_100016267167 [0,1,0,1,0,0|0,0,2]=4 18749 B15R1.795 CCOC(=O)/C=C/CSCC1CCCC1 62a_100016267167_100000740388 [0,1,0,1,0,0|0,0,2]=4 18750 B15R1.795 CCOC(=O)CCCCCN1CC=CC1 269982a_100015195280_100000755133 [0,1,0,1,0,0|0,0,2]=4 18751 B15R1.795 CCOC(=O)CCCCCN1CCCC1 2230a_100000188435_100000755133 [0,1,0,1,0,0|0,0,0]=2 18752 B15R1.795 CCOC(=O)CCCCCN1CCCC1 269982a_100000188435_100000755133 [0,1,0,1,0,0|0,0,0]=2 18753 B15R1.795 CCOC(=O)CCCCCN1CCSC1 2230a_100011215254_100000755133 [0,1,0,1,0,0|1,0,0]=3 18754 B15R1.795 CCOC(=O)CCCCCN1CCSC1 269982a_100011215254_100000755133 [0,1,0,1,0,0|1,0,0]=3 18755 B15R1.795 CCOC(=O)CCCCNC1CC=CC1 2230a_100015188752_100000750268 [0,1,0,1,0,0|0,0,2]=4 18756 B15R1.795 CCOC(=O)CCCCNC1CCCC1 2230a_100000211070_100000750268 [0,1,0,1,0,0|0,0,0]=2 18757 B15R1.795 CCOC(=O)CCCCNC1CCCC1 34a_100000211070_100000750268 [0,1,0,1,0,0|0,0,0]=2 18758 B15R1.795 CCOC(=O)CCCCN[C@@H]1CCOC1 2230a_200015188469_100000750268 [0,1,0,1,0,0|1,0,0]=3 18759 B15R1.795 CCOC(=O)CCCCN[C@H]1CCOC1 2230a_100015188467_100000750268 [0,1,0,1,0,0|1,0,0]=3 18760 B15R1.795 CCOC(=O)CCCCN[C@H]1CCOC1 34a_100015188467_100000750268 [0,1,0,1,0,0|1,0,0]=3 18761 B15R1.795 CCOC(=O)CCCCOC1CCCC1 34a_100000210269_100000750268 [0,1,0,1,0,0|0,0,0]=2 18762 B15R1.795 CCOC(=O)CCCCOC1CCCC1 7a_100000210269_100000750268 [0,1,0,1,0,0|0,0,0]=2 18763 B15R1.795 CCOC(=O)CCCCOC1CCCO1 34a_100000085407_100000750268 [0,1,0,1,0,0|1,0,0]=3 18764 B15R1.795 CCOC(=O)CCCCOC1CCSC1 7a_100011232664_100000750268 [0,1,0,1,0,0|1,0,0]=3 18765 B15R1.795 CCOC(=O)CCCCO[C@H]1CCOC1 34a_100000717292_100000750268 [0,1,0,1,0,0|1,0,0]=3 18766 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100000750268_100000179811 [0,1,0,1,0,0|0,0,0]=2 18767 B15R1.795 CCOC(=O)CCCCSC1CCCC1 62a_100011217020_100000750268 [0,1,0,1,0,0|0,0,0]=2 18768 B15R1.795 CCOC(=O)CCCCSC1CCOC1 62a_100000750268_100000690089 [0,1,0,1,0,0|1,0,0]=3 18769 B15R1.795 CCOC(=O)CCCNCC1CCCC1 2230a_100000737975_100009991533 [0,1,0,1,0,0|0,0,0]=2 18770 B15R1.795 CCOC(=O)CCCNCC1CCCC1 34a_100000737975_100009991533 [0,1,0,1,0,0|0,0,0]=2 18771 B15R1.795 CCOC(=O)CCCNCC1CCOC1 2230a_100000737293_100009991533 [0,1,0,1,0,0|1,0,0]=3 18772 B15R1.795 CCOC(=O)CCCNCC1CCOC1 34a_100000737293_100009991533 [0,1,0,1,0,0|1,0,0]=3 18773 B15R1.795 CCOC(=O)CCCNCC1OCCO1 2230a_100000036311_100009991533 [0,1,0,1,0,0|2,0,0]=4 18774 B15R1.795 CCOC(=O)CCCNCC1OCCO1 34a_100000036311_100009991533 [0,1,0,1,0,0|2,0,0]=4 18775 B15R1.795 CCOC(=O)CCCNC[C@@H]1CCCO1 2230a_100020590478_100009991533 [0,1,0,1,0,0|1,0,0]=3 18776 B15R1.795 CCOC(=O)CCCNC[C@@H]1CCCO1 34a_100020590478_100009991533 [0,1,0,1,0,0|1,0,0]=3 18777 B15R1.795 CCOC(=O)CCCOCC1CC=CC1 34a_100000688395_100009991533 [0,1,0,1,0,0|0,0,2]=4 18778 B15R1.795 CCOC(=O)CCCOCC1CCCC1 34a_100000742336_100009991533 [0,1,0,1,0,0|0,0,0]=2 18779 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100000742336_100011215271 [0,1,0,1,0,0|0,0,0]=2 18780 B15R1.795 CCOC(=O)CCCOCC1CCCC1 7a_100012001163_100000740388 [0,1,0,1,0,0|0,0,0]=2 18781 B15R1.795 CCOC(=O)CCCOCC1CCCO1 34a_100000210270_100009991533 [0,1,0,1,0,0|1,0,0]=3 18782 B15R1.795 CCOC(=O)CCCOCC1CCCO1 7a_100000210270_100011215271 [0,1,0,1,0,0|1,0,0]=3 18783 B15R1.795 CCOC(=O)CCCOCC1CCCO1 7a_100012001163_100000203698 [0,1,0,1,0,0|1,0,0]=3 18784 B15R1.795 CCOC(=O)CCCOCC1CCNC1 34a_100000748654_100009991533 [0,1,0,1,0,0|1,0,0]=3 18785 B15R1.795 CCOC(=O)CCCOCC1CCOC1 34a_100000740260_100009991533 [0,1,0,1,0,0|1,0,0]=3 18786 B15R1.795 CCOC(=O)CCCOCC1CCOC1 7a_100012001163_100000702531 [0,1,0,1,0,0|1,0,0]=3 18787 B15R1.795 CCOC(=O)CCCOCC1COCO1 34a_100011216627_100009991533 [0,1,0,1,0,0|2,0,0]=4 18788 B15R1.795 CCOC(=O)CCCOCC1OCCO1 34a_100000087154_100009991533 [0,1,0,1,0,0|2,0,0]=4 18789 B15R1.795 CCOC(=O)CCCOCC1OCCO1 7a_100012001163_100000755774 [0,1,0,1,0,0|2,0,0]=4 18790 B15R1.795 CCOC(=O)CCCOC[C@H]1CCCN1 34a_100000745186_100009991533 [0,1,0,1,0,0|1,0,0]=3 18791 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100000740388_100009991533 [0,1,0,1,0,0|0,0,0]=2 18792 B15R1.795 CCOC(=O)CCCSCC1CCCC1 62a_100009991533_100000740388 [0,1,0,1,0,0|0,0,0]=2 18793 B15R1.795 CCOC(=O)CCCSCC1CCCO1 62a_100000203698_100009991533 [0,1,0,1,0,0|1,0,0]=3 18794 B15R1.795 CCOC(=O)CCCSCC1CCCO1 62a_100009991533_100000203698 [0,1,0,1,0,0|1,0,0]=3 18795 B15R1.795 CCOC(=O)CCCSCC1CCOC1 62a_100000702531_100009991533 [0,1,0,1,0,0|1,0,0]=3 18796 B15R1.795 CCOC(=O)CCCSCC1CCOC1 62a_100009991533_100000702531 [0,1,0,1,0,0|1,0,0]=3 18797 B15R1.795 CCOC(=O)CCCSCC1OCCO1 62a_100000755774_100009991533 [0,1,0,1,0,0|2,0,0]=4 18798 B15R1.795 CCOC(=O)CCCSCC1OCCO1 62a_100009991533_100000755774 [0,1,0,1,0,0|2,0,0]=4 18799 B15R1.795 CCOC(=O)CCNCCC1CCCC1 2230a_100000739158_100011206558 [0,1,0,1,0,0|0,0,0]=2 18800 B15R1.795 CCOC(=O)CCNCCC1CCCC1 34a_100000739158_100000765890 [0,1,0,1,0,0|0,0,0]=2 18801 B15R1.795 CCOC(=O)CCNCCC1OCCO1 2230a_100000034215_100011206558 [0,1,0,1,0,0|2,0,0]=4 18802 B15R1.795 CCOC(=O)CCNCCC1OCCO1 34a_100000034215_100000765890 [0,1,0,1,0,0|2,0,0]=4 18803 B15R1.795 CCOC(=O)CCOCCC1CCCC1 34a_100000749090_100000765890 [0,1,0,1,0,0|0,0,0]=2 18804 B15R1.795 CCOC(=O)CCOCCC1CCCC1 7a_100000749090_100011206558 [0,1,0,1,0,0|0,0,0]=2 18805 B15R1.795 CCOC(=O)CCOCCC1CCNC1 34a_100016987287_100000765890 [0,1,0,1,0,0|1,0,0]=3 18806 B15R1.795 CCOC(=O)CCOCCC1CCOC1 34a_100011879284_100000765890 [0,1,0,1,0,0|1,0,0]=3 18807 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000760354_100000765890 [0,1,0,1,0,0|0,0,0]=2 18808 B15R1.795 CCOC(=O)CCSCCC1CCCC1 62a_100000765890_100000760354 [0,1,0,1,0,0|0,0,0]=2 18809 B15R1.795 CCOC(=O)CCSCCC1OCCO1 62a_100000765890_100000740749 [0,1,0,1,0,0|2,0,0]=4 18810 B15R1.795 CCOC(=O)CCSCCN1CCCC1 62a_100000700749_100000765890 [0,1,0,1,0,0|1,0,0]=3 18811 B15R1.795 CCOC(=O)CCSCCN1CCCC1 62a_100000765890_100000004467 [0,1,0,1,0,0|1,0,0]=3 18812 B15R1.795 CCOC(=O)CNCCCC1CCCC1 2230a_100000736752_100000188475 [0,1,0,1,0,0|0,0,0]=2 18813 B15R1.795 CCOC(=O)CNCCCC1CCCC1 34a_100000736752_100000188475 [0,1,0,1,0,0|0,0,0]=2 18814 B15R1.795 CCOC(=O)CNCCOC1CCCC1 34a_100000741755_100000188475 [0,1,0,1,0,0|1,0,0]=3 18815 B15R1.795 CCOC(=O)COCCCC1CCCC1 34a_100011215328_100000188475 [0,1,0,1,0,0|0,0,0]=2 18816 B15R1.795 CCOC(=O)COCCCC1CCCC1 7a_100011215328_100000188475 [0,1,0,1,0,0|0,0,0]=2 18817 B15R1.795 CCOC(=O)COCCCC1OCCO1 34a_100009871617_100000188475 [0,1,0,1,0,0|2,0,0]=4 18818 B15R1.795 CCOC(=O)COCCCC1OCCO1 7a_100009871617_100000188475 [0,1,0,1,0,0|2,0,0]=4 18819 B15R1.795 CCOC(=O)COCCCN1CCCC1 2230a_100000188435_100009893628 [0,1,0,1,0,0|1,0,0]=3 18820 B15R1.795 CCOC(=O)COCCCN1CCCC1 269982a_100000188435_100009893628 [0,1,0,1,0,0|1,0,0]=3 18821 B15R1.795 CCOC(=O)COCCCN1CCSC1 2230a_100011215254_100009893628 [0,1,0,1,0,0|2,0,0]=4 18822 B15R1.795 CCOC(=O)COCCCN1CCSC1 269982a_100011215254_100009893628 [0,1,0,1,0,0|2,0,0]=4 18823 B15R1.795 CCOC(=O)COCCNC1CCCC1 2230a_100000211070_100000088970 [0,1,0,1,0,0|1,0,0]=3 18824 B15R1.795 CCOC(=O)COCCNC1CCCC1 34a_100000211070_100000088970 [0,1,0,1,0,0|1,0,0]=3 18825 B15R1.795 CCOC(=O)COCCNC1CCCC1 34a_200000200444_100000188475 [0,1,0,1,0,0|1,0,0]=3 18826 B15R1.795 CCOC(=O)COCCN[C@@H]1CCOC1 2230a_200015188469_100000088970 [0,1,0,1,0,0|2,0,0]=4 18827 B15R1.795 CCOC(=O)COCCN[C@H]1CCOC1 2230a_100015188467_100000088970 [0,1,0,1,0,0|2,0,0]=4 18828 B15R1.795 CCOC(=O)COCCN[C@H]1CCOC1 34a_100015188467_100000088970 [0,1,0,1,0,0|2,0,0]=4 18829 B15R1.795 CCOC(=O)COCCOC1CCCC1 34a_100000210269_100000088970 [0,1,0,1,0,0|1,0,0]=3 18830 B15R1.795 CCOC(=O)COCCOC1CCCC1 34a_100000738311_100000188475 [0,1,0,1,0,0|1,0,0]=3 18831 B15R1.795 CCOC(=O)COCCOC1CCCC1 7a_100000210269_100000088970 [0,1,0,1,0,0|1,0,0]=3 18832 B15R1.795 CCOC(=O)COCCOC1CCCC1 7a_100000738311_100000188475 [0,1,0,1,0,0|1,0,0]=3 18833 B15R1.795 CCOC(=O)COCCOC1CCCO1 34a_100000085407_100000088970 [0,1,0,1,0,0|2,0,0]=4 18834 B15R1.795 CCOC(=O)COCCOC1CCSC1 7a_100011232664_100000088970 [0,1,0,1,0,0|2,0,0]=4 18835 B15R1.795 CCOC(=O)COCCO[C@H]1CCOC1 34a_100000717292_100000088970 [0,1,0,1,0,0|2,0,0]=4 18836 B15R1.795 CCOC(=O)COCCSC1CCCC1 62a_100000088970_100000179811 [0,1,0,1,0,0|1,0,0]=3 18837 B15R1.795 CCOC(=O)COCCSC1CCCC1 62a_100011217020_100000088970 [0,1,0,1,0,0|1,0,0]=3 18838 B15R1.795 CCOC(=O)COCCSC1CCOC1 62a_100000088970_100000690089 [0,1,0,1,0,0|2,0,0]=4 18839 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100000188475_100011713738 [0,1,0,1,0,0|0,0,0]=2 18840 B15R1.795 CCOC(=O)CSCCCC1CCCC1 62a_100011713738_100000188475 [0,1,0,1,0,0|0,0,0]=2 18841 B15R1.795 CCOC(=O)CSCCCC1OCCO1 62a_100000188475_100000042513 [0,1,0,1,0,0|2,0,0]=4 18842 B15R1.795 CCOC(=O)CSCCCN1CCCC1 62a_100000188475_100011445909 [0,1,0,1,0,0|1,0,0]=3 18843 B15R1.795 CCOC(=O)CSCCCN1CCCC1 62a_100016991639_100000188475 [0,1,0,1,0,0|1,0,0]=3 18844 B15R1.795 CCOC(=O)CSCCOC1CCCC1 7a_200000230590_100000179811 [0,1,0,1,0,0|1,0,0]=3 18845 B15R1.795 CCOC(=O)CSCCOC1CCOC1 7a_200000230590_100000731011 [0,1,0,1,0,0|2,0,0]=4 18846 B15R1.795 CCOC(=O)NCCOCC1CCCC1 34a_100000158857_100000740388 [0,1,0,1,0,0|1,0,0]=3 18847 B15R1.795 CCOC(=O)NCCOCC1CCCC1 7a_100000742336_200011445536 [0,1,0,1,0,0|1,0,0]=3 18848 B15R1.795 CCOC(=O)NCCOCC1CCCO1 7a_100000210270_200011445536 [0,1,0,1,0,0|2,0,0]=4 18849 B15R1.795 CCOC(=O)NCCOCC1CCOC1 34a_100000158857_100011261433 [0,1,0,1,0,0|2,0,0]=4 18850 B15R1.795 CCOC(=O)NCCSCC1CCCC1 62a_100000740388_200011445536 [0,1,0,1,0,0|1,0,0]=3 18851 B15R1.795 CCOC(=O)NCCSCC1CCCO1 62a_100000203698_200011445536 [0,1,0,1,0,0|2,0,0]=4 18852 B15R1.795 CCOC(=O)NCCSCC1CCOC1 62a_100000702531_200011445536 [0,1,0,1,0,0|2,0,0]=4 18853 B15R1.795 CCOC(=O)OCSCCC1CCCC1 62a_100000760354_100000075025 [0,1,0,1,0,0|1,0,0]=3 18854 B15R1.795 CCOC(=O)OCSCCN1CCCC1 62a_100000700749_100000075025 [0,1,0,1,0,0|2,0,0]=4 18855 B15R1.795 O=C(CNCCCC1CCCC1)NCO 2230a_100000736752_100000185155 [0,1,0,1,0,0|2,0,0]=4 18856 B15R1.795 O=C(CNCCCC1CCCC1)NCO 34a_100000736752_100000185155 [0,1,0,1,0,0|2,0,0]=4 18857 B15R1.795 O=C(COCCCC1CCCC1)NCO 34a_100011215328_100000185155 [0,1,0,1,0,0|2,0,0]=4 18858 B15R1.795 O=C(COCCCC1CCCC1)NCO 7a_100011215328_100000185155 [0,1,0,1,0,0|2,0,0]=4 18859 B15R1.795 O=C(CSCCCC1CCCC1)NCO 62a_100000185155_100011713738 [0,1,0,1,0,0|2,0,0]=4 18860 B15R1.795 O=C(CSCCCC1CCCC1)NCO 62a_100011713738_100000185155 [0,1,0,1,0,0|2,0,0]=4 18861 B15R1.3857 CCCC(=O)COCCC1CCCN1C 7a_100011215177_100000747444 [0,1,0,1,0,0|2,0,0]=4 18862 B15R1.3857 CCCC(=O)CSCCC1CCCN1C 62a_100000005710_100000747444 [0,1,0,1,0,0|2,0,0]=4 18863 B15R1.3857 CCCC(=O)CSCCC1CCCN1C 62a_100000747444_100000005710 [0,1,0,1,0,0|2,0,0]=4 18864 B15R1.3857 CCCC(C)CCCOC1CCCC1=O 34a_100011713154_100000709159 [0,1,0,1,0,0|2,0,0]=4 18865 B15R1.3857 CCCC(C)CCCOC1CCCC1=O 7a_100011713154_100000211823 [0,1,0,1,0,0|2,0,0]=4 18866 B15R1.3857 CCCC(C)CCCOC1CCOC1=O 34a_100011713154_100000211211 [0,1,0,1,0,0|1,0,0]=3 18867 B15R1.3857 CCCC(C)CCCOC1CCOC1=O 7a_100011713154_100000211211 [0,1,0,1,0,0|1,0,0]=3 18868 B15R1.3857 CCNC(=O)CNCCC1CCCN1C 2230a_100016988866_100000005710 [0,1,0,1,0,0|2,0,0]=4 18869 B15R1.3857 CCNC(=O)COCCC1CCCN1C 34a_100011215177_100000183381 [0,1,0,1,0,0|2,0,0]=4 18870 B15R1.3857 CCNC(=O)COCCC1CCCN1C 7a_100011215177_100000183381 [0,1,0,1,0,0|2,0,0]=4 18871 B15R1.3857 CCNC(=O)CSCCC1CCCN1C 62a_100000005710_100000183381 [0,1,0,1,0,0|2,0,0]=4 18872 B15R1.3857 CCNC(=O)CSCCC1CCCN1C 62a_100000183381_100000005710 [0,1,0,1,0,0|2,0,0]=4 18873 B15R1.3857 CCOC(=O)/C=C/COC1CCCC1C 34a_100011216460_100016267167 [0,1,0,1,0,0|0,0,2]=4 18874 B15R1.3857 CCOC(=O)/C=C/COC1CCCC1C 7a_100011216460_100016267167 [0,1,0,1,0,0|0,0,2]=4 18875 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 2230a_100020605311_100000750268 [0,1,0,1,0,0|0,0,0]=2 18876 B15R1.3857 CCOC(=O)CCCCN1CCC[C@@H]1C 269982a_100020605311_100000750268 [0,1,0,1,0,0|0,0,0]=2 18877 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 2230a_100015189458_100000750268 [0,1,0,1,0,0|0,0,0]=2 18878 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 269982a_100015189458_100000750268 [0,1,0,1,0,0|0,0,0]=2 18879 B15R1.3857 CCOC(=O)CCCCN1CCC[C@H]1C 34a_100015189458_100000750268 [0,1,0,1,0,0|0,0,0]=2 18880 B15R1.3857 CCOC(=O)CCCCN1CCSC1C 2230a_200011216479_100000750268 [0,1,0,1,0,0|1,0,0]=3 18881 B15R1.3857 CCOC(=O)CCCCN1CCSC1C 269982a_200011216479_100000750268 [0,1,0,1,0,0|1,0,0]=3 18882 B15R1.3857 CCOC(=O)CCCCN1CCSC1C 34a_200011216479_100000750268 [0,1,0,1,0,0|1,0,0]=3 18883 B15R1.3857 CCOC(=O)CCCN[C@H]1COC[C@@H]1O 2230a_100015191717_100009991533 [0,1,0,1,0,0|2,0,0]=4 18884 B15R1.3857 CCOC(=O)CCCOC1CCCC1=O 34a_200000719330_100009991533 [0,1,0,1,0,0|1,0,1]=4 18885 B15R1.3857 CCOC(=O)CCCOC1CCCC1=O 7a_100012001163_100000211823 [0,1,0,1,0,0|1,0,1]=4 18886 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 34a_100011216460_100009991533 [0,1,0,1,0,0|0,0,0]=2 18887 B15R1.3857 CCOC(=O)CCCOC1CCCC1C 7a_100011216460_100011215271 [0,1,0,1,0,0|0,0,0]=2 18888 B15R1.3857 CCOC(=O)CCCOC1COCC1O 7a_100012001163_200000725654 [0,1,0,1,0,0|2,0,0]=4 18889 B15R1.3857 CCOC(=O)CCCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100009991533 [0,1,0,1,0,0|1,0,0]=3 18890 B15R1.3857 CCOC(=O)CCCO[C@H]1CCC[C@@H]1N 34a_100000748460_100009991533 [0,1,0,1,0,0|1,0,0]=3 18891 B15R1.3857 CCOC(=O)CCCO[C@H]1CNC[C@H]1C 34a_200015306588_100009991533 [0,1,0,1,0,0|1,0,0]=3 18892 B15R1.3857 CCOC(=O)CCCO[C@H]1COC[C@@H]1N 34a_100015191717_100009991533 [0,1,0,1,0,0|2,0,0]=4 18893 B15R1.3857 CCOC(=O)CCCSC1CCCC1=O 62a_100000211823_100009991533 [0,1,0,1,0,0|1,0,1]=4 18894 B15R1.3857 CCOC(=O)CCCSC1CCCC1=O 62a_100009991533_100000211823 [0,1,0,1,0,0|1,0,1]=4 18895 B15R1.3857 CCOC(=O)CCCSC1COCC1O 62a_100009991533_200000725654 [0,1,0,1,0,0|2,0,0]=4 18896 B15R1.3857 CCOC(=O)CCCSC1COCC1O 62a_200000725654_100009991533 [0,1,0,1,0,0|2,0,0]=4 18897 B15R1.3857 CCOC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_100009991533_200016002552 [0,1,0,1,0,0|1,0,0]=3 18898 B15R1.3857 CCOC(=O)CCCS[C@@H]1CCC[C@H]1O 62a_200016002552_100009991533 [0,1,0,1,0,0|1,0,0]=3 18899 B15R1.3857 CCOC(=O)CCOCC1CCCN1C 34a_100000743107_100000765890 [0,1,0,1,0,0|1,0,0]=3 18900 B15R1.3857 CCOC(=O)COCCC1CCCN1C 34a_100011215177_100000188475 [0,1,0,1,0,0|1,0,0]=3 18901 B15R1.3857 CCOC(=O)COCCC1CCCN1C 7a_100011215177_100000188475 [0,1,0,1,0,0|1,0,0]=3 18902 B15R1.3857 CCOC(=O)COCCN1CCC[C@@H]1C 2230a_100020605311_100000088970 [0,1,0,1,0,0|1,0,0]=3 18903 B15R1.3857 CCOC(=O)COCCN1CCC[C@@H]1C 269982a_100020605311_100000088970 [0,1,0,1,0,0|1,0,0]=3 18904 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 2230a_100015189458_100000088970 [0,1,0,1,0,0|1,0,0]=3 18905 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 269982a_100015189458_100000088970 [0,1,0,1,0,0|1,0,0]=3 18906 B15R1.3857 CCOC(=O)COCCN1CCC[C@H]1C 34a_100015189458_100000088970 [0,1,0,1,0,0|1,0,0]=3 18907 B15R1.3857 CCOC(=O)COCCN1CCSC1C 2230a_200011216479_100000088970 [0,1,0,1,0,0|2,0,0]=4 18908 B15R1.3857 CCOC(=O)COCCN1CCSC1C 269982a_200011216479_100000088970 [0,1,0,1,0,0|2,0,0]=4 18909 B15R1.3857 CCOC(=O)COCCN1CCSC1C 34a_200011216479_100000088970 [0,1,0,1,0,0|2,0,0]=4 18910 B15R1.3857 CCOC(=O)CSCCC1CCCN1C 62a_100000005710_100000188475 [0,1,0,1,0,0|1,0,0]=3 18911 B15R1.3857 CCOC(=O)CSCCC1CCCN1C 62a_100000188475_100000005710 [0,1,0,1,0,0|1,0,0]=3 18912 B15R1.3857 CCOC(=O)NCCOC1CCCC1C 7a_100011216460_200011445536 [0,1,0,1,0,0|1,0,0]=3 18913 B15R1.3857 CCOC(=O)NCCS[C@@H]1CCC[C@H]1O 62a_200016002552_200011445536 [0,1,0,1,0,0|2,0,0]=4 18914 B15R1.7390 CCCC1CCC(C1)NCC(=O)NCC 270004a_100016988866_200012087856 [0,1,0,1,0,0|2,0,0]=4 18915 B15R1.7390 CCOC(=O)CCN1CCC(C1)CCO 2230a_100016987287_100011206558 [0,1,0,1,0,0|2,0,0]=4 18916 B15R1.7390 CCOC(=O)CCN1CCC(C1)CCO 269982a_100016987287_100011206558 [0,1,0,1,0,0|2,0,0]=4 18917 B15R1.7390 CCOC(=O)CCN1CCC(C1)CCO 34a_100016987287_100000765890 [0,1,0,1,0,0|2,0,0]=4 18918 B15R1.7390 CCOC(=O)CCN1CCC(C1)COC 2230a_100025706693_100011206558 [0,1,0,1,0,0|2,0,0]=4 18919 B15R1.7390 CCOC(=O)CCN1CCC(C1)COC 269982a_100025706693_100011206558 [0,1,0,1,0,0|2,0,0]=4 18920 B15R1.7390 CCOC(=O)CCN1CCC(C1)COC 34a_100025706693_100000765890 [0,1,0,1,0,0|2,0,0]=4 18921 B15R1.7390 CCOC(=O)CCN1CC[C@@H](C1)OCC 2230a_100011787710_100011206558 [0,1,0,1,0,0|2,0,0]=4 18922 B15R1.7390 CCOC(=O)CCN1CC[C@@H](C1)OCC 269982a_100011787710_100011206558 [0,1,0,1,0,0|2,0,0]=4 18923 B15R1.7390 CCOC(=O)CCN1CC[C@@H](C1)OCC 34a_100011787710_100000765890 [0,1,0,1,0,0|2,0,0]=4 18924 B15R1.9453 CCCN1CCCC(C1)CC(=O)OCC 2230a_100015200144_100000210303 [0,1,0,1,0,0|1,0,0]=3 18925 B15R1.9453 CCCN1CCCC(C1)CC(=O)OCC 269982a_100015200144_100000210303 [0,1,0,1,0,0|1,0,0]=3 18926 B15R1.9453 CCOC(=O)CC1CCCN(C1)CCF 2230a_100015200144_100011217306 [0,1,0,1,0,0|2,0,0]=4 18927 B15R1.9453 CCOC(=O)CC1CCCN(C1)CCF 269982a_100015200144_100011217306 [0,1,0,1,0,0|2,0,0]=4 18928 B15R1.9453 CCOC(=O)CC1CCCN(C1)CCO 2230a_100015200144_100000211926 [0,1,0,1,0,0|2,0,0]=4 18929 B15R1.9453 CCOC(=O)CC1CCCN(C1)CCO 269982a_100015200144_100000211926 [0,1,0,1,0,0|2,0,0]=4 18930 B15R1.9453 CCOC(=O)CC1CCCN(C1)COC 2230a_100015200144_100000766300 [0,1,0,1,0,0|2,0,0]=4 18931 B15R1.9453 CCOC(=O)CC1CCCN(C1)COC 269982a_100015200144_100000766300 [0,1,0,1,0,0|2,0,0]=4 18932 B15R1.9453 CCOC(=O)CC1CCCN(C1)CSC 2230a_100015200144_100011218213 [0,1,0,1,0,0|2,0,0]=4 18933 B15R1.9453 CCOC(=O)CC1CCCN(C1)CSC 269982a_100015200144_100011218213 [0,1,0,1,0,0|2,0,0]=4 18934 B15R1.9453 CCOC(=O)CN1CCCC(C1)CCO 2230a_100000752241_100000188475 [0,1,0,1,0,0|2,0,0]=4 18935 B15R1.9453 CCOC(=O)CN1CCCC(C1)CCO 269982a_100000752241_100000188475 [0,1,0,1,0,0|2,0,0]=4 18936 B15R1.9453 CCOC(=O)CN1CCCC(C1)CCO 34a_100000752241_100000188475 [0,1,0,1,0,0|2,0,0]=4 18937 B15R1.9453 CCOC(=O)CN1CCCC(C1)COC 2230a_100000755410_100000188475 [0,1,0,1,0,0|2,0,0]=4 18938 B15R1.9453 CCOC(=O)CN1CCCC(C1)COC 269982a_100000755410_100000188475 [0,1,0,1,0,0|2,0,0]=4 18939 B15R1.9453 CCOC(=O)CN1CCCC(C1)COC 34a_100000755410_100000188475 [0,1,0,1,0,0|2,0,0]=4 18940 B15R1.9453 CCOC(=O)CN1CCCC(C1)OCC 2230a_100000745229_100000188475 [0,1,0,1,0,0|2,0,0]=4 18941 B15R1.9453 CCOC(=O)CN1CCCC(C1)OCC 269982a_100000745229_100000188475 [0,1,0,1,0,0|2,0,0]=4 18942 B15R1.9453 CCOC(=O)CN1CCCC(C1)OCC 34a_100000745229_100000188475 [0,1,0,1,0,0|2,0,0]=4 18943 B15R1.10316 CCCC(=O)N1CCC[C@H]1C(=O)OCC 11a_100000703725_100000211992 [0,1,0,1,0,0|1,0,1]=4 18944 B15R1.10316 CCCC(=O)N1CCC[C@H]1C(=O)OCC 1626a_100000703725_100000211992 [0,1,0,1,0,0|1,0,1]=4 18945 B15R1.10316 CCCC(=O)N1CCC[C@H]1C(=O)OCC 240690a_100000703725_100000211992 [0,1,0,1,0,0|1,0,1]=4 18946 B15R1.10316 CCCC(=O)N1CCC[C@H]1C(=O)OCC 527a_100000703725_100000211992 [0,1,0,1,0,0|1,0,1]=4 18947 B15R1.10316 CCCC(C)N1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000766640 [0,1,0,1,0,0|2,0,0]=4 18948 B15R1.10316 CCCC(C)N1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000766640 [0,1,0,1,0,0|2,0,0]=4 18949 B15R1.10316 CCCC(C)N1CCC[C@H]1C(=O)NCC 270004a_100020641767_100000211909 [0,1,0,1,0,0|2,0,0]=4 18950 B15R1.10316 CCCC(C)N1CCC[C@H]1C(=O)NCC 34a_100020641767_100000766640 [0,1,0,1,0,0|2,0,0]=4 18951 B15R1.10316 CCCC(C)N1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000766640 [0,1,0,1,0,0|1,0,0]=3 18952 B15R1.10316 CCCC(C)N1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000766640 [0,1,0,1,0,0|1,0,0]=3 18953 B15R1.10316 CCCC(C)N1CCC[C@H]1C(=O)OCC 270004a_100000703725_100000211909 [0,1,0,1,0,0|1,0,0]=3 18954 B15R1.10316 CCCC(C)N1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000766640 [0,1,0,1,0,0|2,0,0]=4 18955 B15R1.10316 CCCC(C)N1CSC[C@H]1C(=O)OCC 270004a_100016989239_100000211909 [0,1,0,1,0,0|2,0,0]=4 18956 B15R1.10316 CCOC(=O)[C@@H]1CCCN1C(C)CCO 2230a_100000703725_100009893172 [0,1,0,1,0,0|2,0,0]=4 18957 B15R1.10316 CCOC(=O)[C@@H]1CCCN1C(C)CCO 269982a_100000703725_100009893172 [0,1,0,1,0,0|2,0,0]=4 18958 B15R1.10316 CCOC(=O)[C@@H]1CCCN1C(C)COC 2230a_100000703725_100000765312 [0,1,0,1,0,0|2,0,0]=4 18959 B15R1.10316 CCOC(=O)[C@@H]1CCCN1C(C)COC 269982a_100000703725_100000765312 [0,1,0,1,0,0|2,0,0]=4 18960 B15R1.10316 CCOC(=O)[C@@H]1CCCN1C(C)COC 270004a_100000703725_100000749346 [0,1,0,1,0,0|2,0,0]=4 18961 B15R1.10316 CCOC(=O)[C@@H]1CCCN1C(C)CSC 270004a_100000703725_100011216314 [0,1,0,1,0,0|2,0,0]=4 18962 B15R1.10365 CCNC(=O)CCN1CCCC(CC1)C 2230a_100025706717_100000737597 [0,1,0,1,0,0|2,0,0]=4 18963 B15R1.10365 CCNC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000737597 [0,1,0,1,0,0|2,0,0]=4 18964 B15R1.10365 CCNC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100000737597 [0,1,0,1,0,0|2,0,0]=4 18965 B15R1.10365 CCNC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000737597 [0,1,0,1,0,0|2,0,0]=4 18966 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)C 2230a_100025706717_100011206558 [0,1,0,1,0,0|1,0,0]=3 18967 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100011206558 [0,1,0,1,0,0|1,0,0]=3 18968 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)C 34a_100025706717_100000765890 [0,1,0,1,0,0|1,0,0]=3 18969 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100011206558 [0,1,0,1,0,0|1,0,0]=3 18970 B15R1.10365 CCOC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100011206558 [0,1,0,1,0,0|1,0,0]=3 18971 B15R1.10365 CCOC(=O)CCN1CCCN(CC1)C 2230a_100000211313_100011206558 [0,1,0,1,0,0|2,0,0]=4 18972 B15R1.10365 CCOC(=O)CCN1CCCN(CC1)C 269982a_100000211313_100011206558 [0,1,0,1,0,0|2,0,0]=4 18973 B15R1.10572 CCCC(C)CCCOCC(=O)C1CC1 34a_100011713154_100000746382 [0,1,0,1,0,0|2,0,0]=4 18974 B15R1.10572 CCCC(C)CCCOCC(=O)C1CC1 7a_100011713154_100000746382 [0,1,0,1,0,0|2,0,0]=4 18975 B15R1.10572 CCOC(=O)CCCCCC(=O)C1CC1 1458a_100000210395_100000755133 [0,1,0,1,0,0|0,0,1]=3 18976 B15R1.10572 CCOC(=O)CCCCCC(=O)C1CO1 1458a_100000701028_100000755133 [0,1,0,1,0,0|1,0,1]=4 18977 B15R1.10572 CCOC(=O)CCCCCN(C)C1CC1 2230a_100000226674_100000755133 [0,1,0,1,0,0|1,0,0]=3 18978 B15R1.10572 CCOC(=O)CCCCCN(C)C1CC1 269982a_100000226674_100000755133 [0,1,0,1,0,0|1,0,0]=3 18979 B15R1.10572 CCOC(=O)CCCCNC(=O)C1CC1 188690a_100000718961_100000210395 [0,1,0,1,0,0|1,0,1]=4 18980 B15R1.10572 CCOC(=O)CCCCNC(C)C1CC1 2230a_100000700016_100000750268 [0,1,0,1,0,0|1,0,0]=3 18981 B15R1.10572 CCOC(=O)CCCCNC(C)C1CC1 34a_100000700016_100000750268 [0,1,0,1,0,0|1,0,0]=3 18982 B15R1.10572 CCOC(=O)CCCCOC(C)C1CC1 34a_100000744524_100000750268 [0,1,0,1,0,0|1,0,0]=3 18983 B15R1.10572 CCOC(=O)CCCCOC(C)C1CC1 7a_100000744524_100000750268 [0,1,0,1,0,0|1,0,0]=3 18984 B15R1.10572 CCOC(=O)CCCNCC(O)C1CC1 2230a_100000751198_100009991533 [0,1,0,1,0,0|1,0,0]=3 18985 B15R1.10572 CCOC(=O)CCCNCC(O)C1CC1 34a_100000751198_100009991533 [0,1,0,1,0,0|1,0,0]=3 18986 B15R1.10572 CCOC(=O)CCCOCC(=O)C1CC1 34a_100000686663_100009991533 [0,1,0,1,0,0|1,0,1]=4 18987 B15R1.10572 CCOC(=O)CCCOCC(=O)C1CC1 7a_100012001163_100000746382 [0,1,0,1,0,0|1,0,1]=4 18988 B15R1.10572 CCOC(=O)CCCOC[C@H](N)C1CC1 34a_100020623730_100009991533 [0,1,0,1,0,0|1,0,0]=3 18989 B15R1.10572 CCOC(=O)CCCSCC(=O)C1CC1 62a_100000746382_100009991533 [0,1,0,1,0,0|1,0,1]=4 18990 B15R1.10572 CCOC(=O)CCCSCC(=O)C1CC1 62a_100009991533_100000746382 [0,1,0,1,0,0|1,0,1]=4 18991 B15R1.10572 CCOC(=O)COCCCC(=O)C1CC1 1458a_100000210395_100009893628 [0,1,0,1,0,0|1,0,1]=4 18992 B15R1.10572 CCOC(=O)COCCCN(C)C1CC1 2230a_100000226674_100009893628 [0,1,0,1,0,0|2,0,0]=4 18993 B15R1.10572 CCOC(=O)COCCCN(C)C1CC1 269982a_100000226674_100009893628 [0,1,0,1,0,0|2,0,0]=4 18994 B15R1.10572 CCOC(=O)COCCNC(C)C1CC1 2230a_100000700016_100000088970 [0,1,0,1,0,0|2,0,0]=4 18995 B15R1.10572 CCOC(=O)COCCNC(C)C1CC1 34a_100000700016_100000088970 [0,1,0,1,0,0|2,0,0]=4 18996 B15R1.10572 CCOC(=O)COCCOC(C)C1CC1 34a_100000744524_100000088970 [0,1,0,1,0,0|2,0,0]=4 18997 B15R1.10572 CCOC(=O)COCCOC(C)C1CC1 7a_100000744524_100000088970 [0,1,0,1,0,0|2,0,0]=4 18998 B15R1.35265 CCOC(=O)CCCCNC1(CCC1)C 2230a_100000692455_100000750268 [0,1,0,1,0,0|1,0,0]=3 18999 B15R1.35265 CCOC(=O)CCCCNC1(CCC1)C 34a_100000692455_100000750268 [0,1,0,1,0,0|1,0,0]=3 19000 B15R1.35265 CCOC(=O)CCCCNC1(COC1)C 2230a_100000732644_100000750268 [0,1,0,1,0,0|2,0,0]=4 19001 B15R1.35265 CCOC(=O)CCCCOC1(CCC1)C 34a_100000759064_100000750268 [0,1,0,1,0,0|1,0,0]=3 19002 B15R1.35265 CCOC(=O)CCCCOC1(CCC1)C 7a_100000759064_100000750268 [0,1,0,1,0,0|1,0,0]=3 19003 B15R1.35265 CCOC(=O)CCCCOC1(CSC1)C 7a_100016018533_100000750268 [0,1,0,1,0,0|2,0,0]=4 19004 B15R1.35265 CCOC(=O)CCCNCC1(CCC1)C 2230a_100000706607_100009991533 [0,1,0,1,0,0|1,0,0]=3 19005 B15R1.35265 CCOC(=O)CCCNCC1(CCC1)O 2230a_100000752638_100009991533 [0,1,0,1,0,0|1,0,0]=3 19006 B15R1.35265 CCOC(=O)CCCNCC1(COC1)C 2230a_100020631278_100009991533 [0,1,0,1,0,0|2,0,0]=4 19007 B15R1.35265 CCOC(=O)CCCNCC1(COC1)O 2230a_100010264505_100009991533 [0,1,0,1,0,0|2,0,0]=4 19008 B15R1.35265 CCOC(=O)CCCOCC1(CCC1)C 7a_100012001163_100000726658 [0,1,0,1,0,0|1,0,0]=3 19009 B15R1.35265 CCOC(=O)CCCOCC1(COC1)C 7a_100012001163_100009817586 [0,1,0,1,0,0|2,0,0]=4 19010 B15R1.35265 CCOC(=O)CCCOCC1(CSC1)C 34a_100000732658_100009991533 [0,1,0,1,0,0|2,0,0]=4 19011 B15R1.35265 CCOC(=O)CCCOCC1(CSC1)C 7a_100000732658_100011215271 [0,1,0,1,0,0|2,0,0]=4 19012 B15R1.35265 CCOC(=O)CCCSCC1(CCC1)C 62a_100000726658_100009991533 [0,1,0,1,0,0|1,0,0]=3 19013 B15R1.35265 CCOC(=O)CCCSCC1(CCC1)C 62a_100009991533_100000726658 [0,1,0,1,0,0|1,0,0]=3 19014 B15R1.35265 CCOC(=O)CCCSCC1(COC1)C 62a_100009817586_100009991533 [0,1,0,1,0,0|2,0,0]=4 19015 B15R1.35265 CCOC(=O)CCCSCC1(COC1)C 62a_100009991533_100009817586 [0,1,0,1,0,0|2,0,0]=4 19016 B15R1.35265 CCOC(=O)COCCNC1(CCC1)C 2230a_100000692455_100000088970 [0,1,0,1,0,0|2,0,0]=4 19017 B15R1.35265 CCOC(=O)COCCNC1(CCC1)C 34a_100000692455_100000088970 [0,1,0,1,0,0|2,0,0]=4 19018 B15R1.35265 CCOC(=O)COCCOC1(CCC1)C 34a_100000759064_100000088970 [0,1,0,1,0,0|2,0,0]=4 19019 B15R1.35265 CCOC(=O)COCCOC1(CCC1)C 7a_100000759064_100000088970 [0,1,0,1,0,0|2,0,0]=4 19020 B15R1.35265 CCOC(=O)NCCOCC1(CCC1)C 34a_100000158857_100000726658 [0,1,0,1,0,0|2,0,0]=4 19021 B15R1.35265 CCOC(=O)NCCSCC1(CCC1)C 62a_100000726658_200011445536 [0,1,0,1,0,0|2,0,0]=4 19022 B15R1.37622 CCOC(=O)CN1CCCN(CC1C)C 269982a_100011935175_100000188475 [0,1,0,1,0,0|2,0,0]=4 19023 B15R1.11 C=C1CCC(CC1)COCC(=O)OCC 34a_100000074039_100000188475 [0,1,0,1,0,0|1,0,1]=4 19024 B15R1.11 C=C1CCN(CC1)CCCC(=O)OCC 2230a_100000752442_100009991533 [0,1,0,1,0,0|1,0,1]=4 19025 B15R1.11 C=C1CCN(CC1)CCCC(=O)OCC 269982a_100000752442_100009991533 [0,1,0,1,0,0|1,0,1]=4 19026 B15R1.11 C=C1CCN(CC1)CCCC(=O)OCC 34a_100000752442_100009991533 [0,1,0,1,0,0|1,0,1]=4 19027 B15R1.11 CCCC(=O)CNCC1CCC(CC1)C 2230a_103436935547_100000747444 [0,1,0,1,0,0|2,0,0]=4 19028 B15R1.11 CCCC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100000211992 [0,1,0,1,0,0|2,0,0]=4 19029 B15R1.11 CCCC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100000211992 [0,1,0,1,0,0|2,0,0]=4 19030 B15R1.11 CCCC(=O)NCCC1CCC(CC1)O 527a_200011935226_100000211992 [0,1,0,1,0,0|2,0,0]=4 19031 B15R1.11 CCNC(=O)CCNC1CCC(CC1)C 270004a_100025743525_100000185489 [0,1,0,1,0,0|2,0,0]=4 19032 B15R1.11 CCNC(=O)CCNC1CCC(CC1)C 34a_100025743525_200011216234 [0,1,0,1,0,0|2,0,0]=4 19033 B15R1.11 CCNC(=O)CCNC1CCC(CC1)O 270004a_100025743525_100000764474 [0,1,0,1,0,0|2,0,0]=4 19034 B15R1.11 CCNC(=O)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000737597 [0,1,0,1,0,0|2,0,0]=4 19035 B15R1.11 CCNC(=O)CCOC1CCC(CC1)C 7a_100000210714_100000737597 [0,1,0,1,0,0|2,0,0]=4 19036 B15R1.11 CCNC(=O)CCSC1CCC(CC1)C 62a_100000737597_200011216234 [0,1,0,1,0,0|2,0,0]=4 19037 B15R1.11 CCNC(=O)CNCC1CCC(CC1)C 2230a_103436935547_100000183381 [0,1,0,1,0,0|2,0,0]=4 19038 B15R1.11 CCNC(=O)CNCC1CCC(CC1)C 34a_103436935547_100000183381 [0,1,0,1,0,0|2,0,0]=4 19039 B15R1.11 CCNC(=O)COCC1CCC(CC1)C 34a_100000701341_100000183381 [0,1,0,1,0,0|2,0,0]=4 19040 B15R1.11 CCNC(=O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000183381 [0,1,0,1,0,0|2,0,0]=4 19041 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 2708a_100015525214_200011935226 [0,1,0,1,0,0|2,0,0]=4 19042 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 2708a_200011935226_100015525214 [0,1,0,1,0,0|2,0,0]=4 19043 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 273464a_100015525214_200011935226 [0,1,0,1,0,0|2,0,0]=4 19044 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 273464a_200011935226_100015525214 [0,1,0,1,0,0|2,0,0]=4 19045 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 512a_100015525214_200011935226 [0,1,0,1,0,0|2,0,0]=4 19046 B15R1.11 CCNC(=O)NCCC1CCC(CC1)O 512a_200011935226_100015525214 [0,1,0,1,0,0|2,0,0]=4 19047 B15R1.11 CCOC(=O)CCCN1CCC(CC1)C 2230a_100000188429_100009991533 [0,1,0,1,0,0|1,0,0]=3 19048 B15R1.11 CCOC(=O)CCCN1CCC(CC1)C 269982a_100000188429_100009991533 [0,1,0,1,0,0|1,0,0]=3 19049 B15R1.11 CCOC(=O)CCCN1CCC(CC1)C 34a_100000188429_100009991533 [0,1,0,1,0,0|1,0,0]=3 19050 B15R1.11 CCOC(=O)CCCN1CCC(CC1)F 2230a_100015193889_100009991533 [0,1,0,1,0,0|1,0,0]=3 19051 B15R1.11 CCOC(=O)CCCN1CCC(CC1)F 269982a_100015193889_100009991533 [0,1,0,1,0,0|1,0,0]=3 19052 B15R1.11 CCOC(=O)CCCN1CCC(CC1)F 34a_100015193889_100009991533 [0,1,0,1,0,0|1,0,0]=3 19053 B15R1.11 CCOC(=O)CCCN1CCC(CC1)O 2230a_100025773856_100009991533 [0,1,0,1,0,0|1,0,0]=3 19054 B15R1.11 CCOC(=O)CCCN1CCC(CC1)O 269982a_100025773856_100009991533 [0,1,0,1,0,0|1,0,0]=3 19055 B15R1.11 CCOC(=O)CCCN1CCN(CC1)C 2230a_100000188432_100009991533 [0,1,0,1,0,0|2,0,0]=4 19056 B15R1.11 CCOC(=O)CCCN1CCN(CC1)C 269982a_100000188432_100009991533 [0,1,0,1,0,0|2,0,0]=4 19057 B15R1.11 CCOC(=O)CCCN1CCS(=O)CC1 2230a_100000752083_100009991533 [0,1,0,1,0,0|2,0,0]=4 19058 B15R1.11 CCOC(=O)CCCN1CCS(=O)CC1 269982a_100000752083_100009991533 [0,1,0,1,0,0|2,0,0]=4 19059 B15R1.11 CCOC(=O)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011206558 [0,1,0,1,0,0|1,0,0]=3 19060 B15R1.11 CCOC(=O)CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000765890 [0,1,0,1,0,0|1,0,0]=3 19061 B15R1.11 CCOC(=O)CCOC1CCC(=O)CC1 34a_100000764474_100000765890 [0,1,0,1,0,0|1,0,1]=4 19062 B15R1.11 CCOC(=O)CCOC1CCC(=O)CC1 7a_100000764474_100011206558 [0,1,0,1,0,0|1,0,1]=4 19063 B15R1.11 CCOC(=O)CCOC1CCC(CC1)C 34a_100000210714_100000765890 [0,1,0,1,0,0|1,0,0]=3 19064 B15R1.11 CCOC(=O)CCOC1CCC(CC1)C 7a_100000210714_100011206558 [0,1,0,1,0,0|1,0,0]=3 19065 B15R1.11 CCOC(=O)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000765890 [0,1,0,1,0,0|1,0,0]=3 19066 B15R1.11 CCOC(=O)CCSC1CCC(CC1)C 62a_100000765890_200011216234 [0,1,0,1,0,0|1,0,0]=3 19067 B15R1.11 CCOC(=O)CCSC1CCN(CC1)C 62a_100000765890_100011215917 [0,1,0,1,0,0|2,0,0]=4 19068 B15R1.11 CCOC(=O)CNCC1CCC(CC1)C 2230a_103436935547_100000188475 [0,1,0,1,0,0|1,0,0]=3 19069 B15R1.11 CCOC(=O)CNCC1CCC(CC1)C 34a_103436935547_100000188475 [0,1,0,1,0,0|1,0,0]=3 19070 B15R1.11 CCOC(=O)COCC1CCC(=O)CC1 34a_100000062911_100000188475 [0,1,0,1,0,0|1,0,1]=4 19071 B15R1.11 CCOC(=O)COCC1CCC(CC1)C 34a_100000701341_100000188475 [0,1,0,1,0,0|1,0,0]=3 19072 B15R1.11 CCOC(=O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000188475 [0,1,0,1,0,0|1,0,0]=3 19073 B15R1.11 CCOC(=O)CSCC1CCN(CC1)C 62a_100000188475_100015183002 [0,1,0,1,0,0|2,0,0]=4 19074 B15R1.11 CCOC(=O)CSCC1CCN(CC1)C 62a_100015183002_100000188475 [0,1,0,1,0,0|2,0,0]=4 19075 B15R1.11 CCOC(=O)NCCN1CCC(CC1)C 269982a_100000188429_200011445536 [0,1,0,1,0,0|2,0,0]=4 19076 B15R1.11 CCOC(=O)NCCN1CCC(CC1)F 269982a_100015193889_200011445536 [0,1,0,1,0,0|2,0,0]=4 19077 B15R1.11 CCOC(=O)NCCN1CCC(CC1)O 269982a_100025773856_200011445536 [0,1,0,1,0,0|2,0,0]=4 19078 B15R1.27 CCCC(=O)CNC1CCCC(C1C)C 2230a_100000211273_100000747444 [0,1,0,1,0,0|2,0,0]=4 19079 B15R1.27 CCCC(=O)COC1CCCC(C1C)C 7a_100011217532_100000747444 [0,1,0,1,0,0|2,0,0]=4 19080 B15R1.27 CCNC(=O)CNC1CCCC(C1C)C 2230a_100000211273_100000183381 [0,1,0,1,0,0|2,0,0]=4 19081 B15R1.27 CCNC(=O)CNC1CCCC(C1C)C 34a_100000211273_100000183381 [0,1,0,1,0,0|2,0,0]=4 19082 B15R1.27 CCNC(=O)COC1CCCC(C1C)C 34a_100011217532_100000183381 [0,1,0,1,0,0|2,0,0]=4 19083 B15R1.27 CCNC(=O)COC1CCCC(C1C)C 7a_100011217532_100000183381 [0,1,0,1,0,0|2,0,0]=4 19084 B15R1.27 CCOC(=O)CNC1CCCC(C1C)C 2230a_100000211273_100000188475 [0,1,0,1,0,0|1,0,0]=3 19085 B15R1.27 CCOC(=O)CNC1CCCC(C1C)C 34a_100000211273_100000188475 [0,1,0,1,0,0|1,0,0]=3 19086 B15R1.27 CCOC(=O)COC1CCCC(C1C)C 34a_100011217532_100000188475 [0,1,0,1,0,0|1,0,0]=3 19087 B15R1.27 CCOC(=O)COC1CCCC(C1C)C 7a_100011217532_100000188475 [0,1,0,1,0,0|1,0,0]=3 19088 B15R1.777 CCOC(=O)CCCCN1CCC(C1)O 2230a_100011215560_100000750268 [0,1,0,1,0,0|1,0,0]=3 19089 B15R1.777 CCOC(=O)CCCCN1CCC(C1)O 269982a_100011215560_100000750268 [0,1,0,1,0,0|1,0,0]=3 19090 B15R1.777 CCOC(=O)CCCCN1CC[C@@H](C1)F 2230a_100015203821_100000750268 [0,1,0,1,0,0|1,0,0]=3 19091 B15R1.777 CCOC(=O)CCCCN1CC[C@@H](C1)F 269982a_100015203821_100000750268 [0,1,0,1,0,0|1,0,0]=3 19092 B15R1.777 CCOC(=O)CCCCN1CC[C@@H](C1)F 34a_100015203821_100000750268 [0,1,0,1,0,0|1,0,0]=3 19093 B15R1.777 CCOC(=O)CCCCN1CC[C@H](C1)C 2230a_100016987628_100000750268 [0,1,0,1,0,0|1,0,0]=3 19094 B15R1.777 CCOC(=O)CCCCN1CC[C@H](C1)C 269982a_100016987628_100000750268 [0,1,0,1,0,0|1,0,0]=3 19095 B15R1.777 CCOC(=O)CCCCN1CC[C@H](C1)C 34a_100016987628_100000750268 [0,1,0,1,0,0|1,0,0]=3 19096 B15R1.777 CCOC(=O)CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100009991533 [0,1,0,1,0,0|1,0,0]=3 19097 B15R1.777 CCOC(=O)CCCOC1CCC(=O)C1 34a_100012614533_100009991533 [0,1,0,1,0,0|1,0,1]=4 19098 B15R1.777 CCOC(=O)CCCOC1CCC(C1)C 34a_100000698185_100009991533 [0,1,0,1,0,0|1,0,0]=3 19099 B15R1.777 CCOC(=O)CCCOC1CCN(C1)C 7a_100012001163_200012183744 [0,1,0,1,0,0|2,0,0]=4 19100 B15R1.777 CCOC(=O)CCCSC1CCN(C1)C 62a_100009991533_200012183744 [0,1,0,1,0,0|2,0,0]=4 19101 B15R1.777 CCOC(=O)CCOC[C@@H]1C[C@@H](CN1)F 34a_100015204000_100000765890 [0,1,0,1,0,0|2,0,0]=4 19102 B15R1.777 CCOC(=O)CCSCC1CCN(C1)C 62a_100000765890_200000690779 [0,1,0,1,0,0|2,0,0]=4 19103 B15R1.777 CCOC(=O)CCSCC1CCN(C1)C 62a_200000690779_100000765890 [0,1,0,1,0,0|2,0,0]=4 19104 B15R1.777 CCOC(=O)COCCN1CCC(C1)O 2230a_100011215560_100000088970 [0,1,0,1,0,0|2,0,0]=4 19105 B15R1.777 CCOC(=O)COCCN1CCC(C1)O 269982a_100011215560_100000088970 [0,1,0,1,0,0|2,0,0]=4 19106 B15R1.777 CCOC(=O)COCCN1CC[C@@H](C1)F 2230a_100015203821_100000088970 [0,1,0,1,0,0|2,0,0]=4 19107 B15R1.777 CCOC(=O)COCCN1CC[C@@H](C1)F 269982a_100015203821_100000088970 [0,1,0,1,0,0|2,0,0]=4 19108 B15R1.777 CCOC(=O)COCCN1CC[C@@H](C1)F 34a_100015203821_100000088970 [0,1,0,1,0,0|2,0,0]=4 19109 B15R1.777 CCOC(=O)COCCN1CC[C@H](C1)C 2230a_100016987628_100000088970 [0,1,0,1,0,0|2,0,0]=4 19110 B15R1.777 CCOC(=O)COCCN1CC[C@H](C1)C 269982a_100016987628_100000088970 [0,1,0,1,0,0|2,0,0]=4 19111 B15R1.777 CCOC(=O)COCCN1CC[C@H](C1)C 34a_100016987628_100000088970 [0,1,0,1,0,0|2,0,0]=4 19112 B15R1.812 CCOC(=O)C1CCCCN1C(=O)CC 11a_100016990872_100000210414 [0,1,0,1,0,0|1,0,1]=4 19113 B15R1.812 CCOC(=O)C1CCCCN1C(=O)CC 1626a_100016990872_100000210414 [0,1,0,1,0,0|1,0,1]=4 19114 B15R1.812 CCOC(=O)C1CCCCN1C(=O)CC 240690a_100016990872_100000210414 [0,1,0,1,0,0|1,0,1]=4 19115 B15R1.812 CCOC(=O)C1CCCCN1C(=O)CC 527a_100016990872_100000210414 [0,1,0,1,0,0|1,0,1]=4 19116 B15R1.812 CCOC(=O)C1CCCCN1C(C)CC 2230a_100016990872_100000758301 [0,1,0,1,0,0|1,0,0]=3 19117 B15R1.812 CCOC(=O)C1CCCCN1C(C)CC 269982a_100016990872_100000758301 [0,1,0,1,0,0|1,0,0]=3 19118 B15R1.812 CCOC(=O)C1CCCCN1C(C)CO 2230a_100016990872_100012180447 [0,1,0,1,0,0|2,0,0]=4 19119 B15R1.812 CCOC(=O)C1CCCCN1C(C)OC 269982a_100016990872_100009879195 [0,1,0,1,0,0|2,0,0]=4 19120 B15R1.812 CCOC(=O)C1CCCCN1[C@H](C)CO 269982a_100016990872_100016084084 [0,1,0,1,0,0|2,0,0]=4 19121 B15R1.812 CCOC(=O)C1CSCCN1C(C)CC 2230a_100000735462_100000758301 [0,1,0,1,0,0|2,0,0]=4 19122 B15R1.812 CCOC(=O)C1CSCCN1C(C)CC 269982a_100000735462_100000758301 [0,1,0,1,0,0|2,0,0]=4 19123 B15R1.812 CCOC(=O)[C@@H]1COCCN1C(C)CC 2230a_100015229691_100000758301 [0,1,0,1,0,0|2,0,0]=4 19124 B15R1.812 CCOC(=O)[C@@H]1COCCN1C(C)CC 269982a_100015229691_100000758301 [0,1,0,1,0,0|2,0,0]=4 19125 B15R1.821 CCNC(=O)[C@@H]1CCCN1CC(C)CC 2230a_100020641767_100000748023 [0,1,0,1,0,0|2,0,0]=4 19126 B15R1.821 CCNC(=O)[C@@H]1CCCN1CC(C)CC 269982a_100020641767_100000748023 [0,1,0,1,0,0|2,0,0]=4 19127 B15R1.821 CCNC(=O)[C@@H]1CCCN1CC(C)CC 270004a_100020641767_100000243153 [0,1,0,1,0,0|2,0,0]=4 19128 B15R1.821 CCNC(=O)[C@@H]1CCCN1CC(C)CC 34a_100020641767_100000748023 [0,1,0,1,0,0|2,0,0]=4 19129 B15R1.821 CCNC(=O)[C@@H]1CCCN1CC(O)CC 2230a_100020641767_100011218378 [0,1,0,1,0,0|2,0,0]=4 19130 B15R1.821 CCNC(=O)[C@@H]1CCCN1CC(O)CC 269982a_100020641767_100011218378 [0,1,0,1,0,0|2,0,0]=4 19131 B15R1.821 CCNC(=O)[C@@H]1CCCN1CC(O)CC 34a_100020641767_100011218378 [0,1,0,1,0,0|2,0,0]=4 19132 B15R1.821 CCNC(=O)[C@@H]1CCCN1C[C@@H](C)CC 2230a_100020641767_100009816398 [0,1,0,1,0,0|2,0,0]=4 19133 B15R1.821 CCNC(=O)[C@@H]1CCCN1C[C@@H](C)CC 269982a_100020641767_100009816398 [0,1,0,1,0,0|2,0,0]=4 19134 B15R1.821 CCNC(=O)[C@@H]1CCCN1C[C@@H](C)CC 34a_100020641767_100009816398 [0,1,0,1,0,0|2,0,0]=4 19135 B15R1.821 CCOC(=O)C1CCCC1NC(=O)CC 188690a_200020588403_100000210414 [0,1,0,1,0,0|1,0,1]=4 19136 B15R1.821 CCOC(=O)[C@@H]1CCCN1CC(=O)CC 269982a_100000703725_100000747405 [0,1,0,1,0,0|1,0,1]=4 19137 B15R1.821 CCOC(=O)[C@@H]1CCCN1CC(C)CC 2230a_100000703725_100000748023 [0,1,0,1,0,0|1,0,0]=3 19138 B15R1.821 CCOC(=O)[C@@H]1CCCN1CC(C)CC 269982a_100000703725_100000748023 [0,1,0,1,0,0|1,0,0]=3 19139 B15R1.821 CCOC(=O)[C@@H]1CCCN1CC(C)CC 270004a_100000703725_100000243153 [0,1,0,1,0,0|1,0,0]=3 19140 B15R1.821 CCOC(=O)[C@@H]1CCCN1CC(O)CC 2230a_100000703725_100011218378 [0,1,0,1,0,0|1,0,0]=3 19141 B15R1.821 CCOC(=O)[C@@H]1CCCN1CC(O)CC 269982a_100000703725_100011218378 [0,1,0,1,0,0|1,0,0]=3 19142 B15R1.821 CCOC(=O)[C@@H]1CCCN1CC(O)CO 2230a_100000703725_100011219619 [0,1,0,1,0,0|2,0,0]=4 19143 B15R1.821 CCOC(=O)[C@@H]1CCCN1C[C@@H](C)CC 2230a_100000703725_100009816398 [0,1,0,1,0,0|1,0,0]=3 19144 B15R1.821 CCOC(=O)[C@@H]1CCCN1C[C@@H](C)CC 269982a_100000703725_100009816398 [0,1,0,1,0,0|1,0,0]=3 19145 B15R1.821 CCOC(=O)[C@@H]1CCCN1C[C@@H](C)CO 2230a_100000703725_100000059175 [0,1,0,1,0,0|2,0,0]=4 19146 B15R1.821 CCOC(=O)[C@@H]1CCCN1C[C@@H](C)CO 269982a_100000703725_100000059175 [0,1,0,1,0,0|2,0,0]=4 19147 B15R1.821 CCOC(=O)[C@@H]1CCCN1C[C@@H](O)CF 2230a_100000703725_100015614560 [0,1,0,1,0,0|2,0,0]=4 19148 B15R1.821 CCOC(=O)[C@@H]1CCCN1C[C@@H](O)CO 2230a_100000703725_100009815848 [0,1,0,1,0,0|2,0,0]=4 19149 B15R1.821 CCOC(=O)[C@@H]1CCC[C@@H]1OC(C)CC 7a_200015395474_100000758301 [0,1,0,1,0,0|1,0,0]=3 19150 B15R1.821 CCOC(=O)[C@@H]1CCC[C@@H]1OC(C)CO 7a_200015395474_100012180447 [0,1,0,1,0,0|2,0,0]=4 19151 B15R1.821 CCOC(=O)[C@@H]1CSCN1CC(C)CC 269982a_100016989239_100000748023 [0,1,0,1,0,0|2,0,0]=4 19152 B15R1.821 CCOC(=O)[C@@H]1CSCN1CC(C)CC 270004a_100016989239_100000243153 [0,1,0,1,0,0|2,0,0]=4 19153 B15R1.821 CCOC(=O)[C@@H]1CSCN1CC(O)CC 269982a_100016989239_100011218378 [0,1,0,1,0,0|2,0,0]=4 19154 B15R1.821 CCOC(=O)[C@@H]1CSCN1C[C@@H](C)CC 269982a_100016989239_100009816398 [0,1,0,1,0,0|2,0,0]=4 19155 B15R1.1263 CCOC(=O)CCCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000755133 [0,1,0,1,0,0|1,0,0]=3 19156 B15R1.1263 CCOC(=O)CCCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000755133 [0,1,0,1,0,0|1,0,0]=3 19157 B15R1.1263 CCOC(=O)CCCCCN[C@@H]1C[C@H]1F 34a_100025746932_100000755133 [0,1,0,1,0,0|1,0,0]=3 19158 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 34a_100000744939_100000750268 [0,1,0,1,0,0|0,0,0]=2 19159 B15R1.1263 CCOC(=O)CCCCOCC1CC1C 7a_100000744939_100000750268 [0,1,0,1,0,0|0,0,0]=2 19160 B15R1.1263 CCOC(=O)COCCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100009893628 [0,1,0,1,0,0|2,0,0]=4 19161 B15R1.1263 CCOC(=O)COCCCN[C@@H]1C[C@H]1F 2230a_100025746932_100009893628 [0,1,0,1,0,0|2,0,0]=4 19162 B15R1.1263 CCOC(=O)COCCCN[C@@H]1C[C@H]1F 34a_100025746932_100009893628 [0,1,0,1,0,0|2,0,0]=4 19163 B15R1.1263 CCOC(=O)COCCOCC1CC1C 34a_100000744939_100000088970 [0,1,0,1,0,0|1,0,0]=3 19164 B15R1.1263 CCOC(=O)COCCOCC1CC1C 7a_100000744939_100000088970 [0,1,0,1,0,0|1,0,0]=3 19165 B15R1.1264 CCOC(=O)CCCCCCN1CCC1 269982a_100000754969_100009814379 [0,1,0,1,0,0|0,0,0]=2 19166 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 2230a_100000749019_100000755133 [0,1,0,1,0,0|0,0,0]=2 19167 B15R1.1264 CCOC(=O)CCCCCNC1CCC1 34a_100000749019_100000755133 [0,1,0,1,0,0|0,0,0]=2 19168 B15R1.1264 CCOC(=O)CCCCCNC1COC1 2230a_100016991112_100000755133 [0,1,0,1,0,0|1,0,0]=3 19169 B15R1.1264 CCOC(=O)CCCCCOC1CCC1 34a_100000748187_100000755133 [0,1,0,1,0,0|0,0,0]=2 19170 B15R1.1264 CCOC(=O)CCCCCOC1COC1 7a_100011214988_100009818527 [0,1,0,1,0,0|1,0,0]=3 19171 B15R1.1264 CCOC(=O)CCCCCOC1CSC1 7a_100000072292_100000755133 [0,1,0,1,0,0|1,0,0]=3 19172 B15R1.1264 CCOC(=O)CCCCCSC1CCC1 62a_100000755133_100000749161 [0,1,0,1,0,0|0,0,0]=2 19173 B15R1.1264 CCOC(=O)CCCCCSC1COC1 62a_100000755133_100009818527 [0,1,0,1,0,0|1,0,0]=3 19174 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 2230a_100000738700_100000750268 [0,1,0,1,0,0|0,0,0]=2 19175 B15R1.1264 CCOC(=O)CCCCNCC1CCC1 34a_100000738700_100000750268 [0,1,0,1,0,0|0,0,0]=2 19176 B15R1.1264 CCOC(=O)CCCCNCC1COC1 2230a_100015281925_100000750268 [0,1,0,1,0,0|1,0,0]=3 19177 B15R1.1264 CCOC(=O)CCCCNCC1COC1 34a_100015281925_100000750268 [0,1,0,1,0,0|1,0,0]=3 19178 B15R1.1264 CCOC(=O)CCCCNC[C@@H]1CCO1 2230a_100020831831_100000750268 [0,1,0,1,0,0|1,0,0]=3 19179 B15R1.1264 CCOC(=O)CCCCNC[C@@H]1CCO1 34a_100020831831_100000750268 [0,1,0,1,0,0|1,0,0]=3 19180 B15R1.1264 CCOC(=O)CCCCOCC1CCC1 34a_100000760304_100000750268 [0,1,0,1,0,0|0,0,0]=2 19181 B15R1.1264 CCOC(=O)CCCCOCC1CCO1 34a_100000039022_100000750268 [0,1,0,1,0,0|1,0,0]=3 19182 B15R1.1264 CCOC(=O)CCCCOCC1CNC1 34a_100016987283_100000750268 [0,1,0,1,0,0|1,0,0]=3 19183 B15R1.1264 CCOC(=O)CCCCOCC1COC1 34a_100000060846_100000750268 [0,1,0,1,0,0|1,0,0]=3 19184 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000750268_100000763275 [0,1,0,1,0,0|0,0,0]=2 19185 B15R1.1264 CCOC(=O)CCCCSCC1CCC1 62a_100000763275_100000750268 [0,1,0,1,0,0|0,0,0]=2 19186 B15R1.1264 CCOC(=O)CCCCSCC1CCO1 62a_100000103362_100000750268 [0,1,0,1,0,0|1,0,0]=3 19187 B15R1.1264 CCOC(=O)CCCCSCC1CCO1 62a_100000750268_100000103362 [0,1,0,1,0,0|1,0,0]=3 19188 B15R1.1264 CCOC(=O)CCCCSCC1COC1 62a_100000750268_100010264016 [0,1,0,1,0,0|1,0,0]=3 19189 B15R1.1264 CCOC(=O)CCCCSCC1COC1 62a_100010264016_100000750268 [0,1,0,1,0,0|1,0,0]=3 19190 B15R1.1264 CCOC(=O)CCCOCCC1COC1 34a_100009855314_100009991533 [0,1,0,1,0,0|1,0,0]=3 19191 B15R1.1264 CCOC(=O)COCCCNC1CCC1 2230a_100000749019_100009893628 [0,1,0,1,0,0|1,0,0]=3 19192 B15R1.1264 CCOC(=O)COCCCNC1CCC1 34a_100000749019_100009893628 [0,1,0,1,0,0|1,0,0]=3 19193 B15R1.1264 CCOC(=O)COCCCNC1COC1 2230a_100016991112_100009893628 [0,1,0,1,0,0|2,0,0]=4 19194 B15R1.1264 CCOC(=O)COCCCOC1CCC1 34a_100000748187_100009893628 [0,1,0,1,0,0|1,0,0]=3 19195 B15R1.1264 CCOC(=O)COCCCOC1CSC1 7a_100000072292_100009893628 [0,1,0,1,0,0|2,0,0]=4 19196 B15R1.1264 CCOC(=O)COCCCSC1CCC1 62a_100009893628_100000749161 [0,1,0,1,0,0|1,0,0]=3 19197 B15R1.1264 CCOC(=O)COCCCSC1COC1 62a_100009893628_100009818527 [0,1,0,1,0,0|2,0,0]=4 19198 B15R1.1264 CCOC(=O)COCCNCC1CCC1 2230a_100000738700_100000088970 [0,1,0,1,0,0|1,0,0]=3 19199 B15R1.1264 CCOC(=O)COCCNCC1CCC1 34a_100000738700_100000088970 [0,1,0,1,0,0|1,0,0]=3 19200 B15R1.1264 CCOC(=O)COCCNCC1COC1 2230a_100015281925_100000088970 [0,1,0,1,0,0|2,0,0]=4 19201 B15R1.1264 CCOC(=O)COCCNCC1COC1 34a_100015281925_100000088970 [0,1,0,1,0,0|2,0,0]=4 19202 B15R1.1264 CCOC(=O)COCCNC[C@@H]1CCO1 2230a_100020831831_100000088970 [0,1,0,1,0,0|2,0,0]=4 19203 B15R1.1264 CCOC(=O)COCCNC[C@@H]1CCO1 34a_100020831831_100000088970 [0,1,0,1,0,0|2,0,0]=4 19204 B15R1.1264 CCOC(=O)COCCOCC1CCC1 34a_100000760304_100000088970 [0,1,0,1,0,0|1,0,0]=3 19205 B15R1.1264 CCOC(=O)COCCOCC1CCO1 34a_100000039022_100000088970 [0,1,0,1,0,0|2,0,0]=4 19206 B15R1.1264 CCOC(=O)COCCOCC1CNC1 34a_100016987283_100000088970 [0,1,0,1,0,0|2,0,0]=4 19207 B15R1.1264 CCOC(=O)COCCOCC1COC1 34a_100000060846_100000088970 [0,1,0,1,0,0|2,0,0]=4 19208 B15R1.1264 CCOC(=O)COCCSCC1CCC1 62a_100000088970_100000763275 [0,1,0,1,0,0|1,0,0]=3 19209 B15R1.1264 CCOC(=O)COCCSCC1CCC1 62a_100000763275_100000088970 [0,1,0,1,0,0|1,0,0]=3 19210 B15R1.1264 CCOC(=O)COCCSCC1CCO1 62a_100000088970_100000103362 [0,1,0,1,0,0|2,0,0]=4 19211 B15R1.1264 CCOC(=O)COCCSCC1CCO1 62a_100000103362_100000088970 [0,1,0,1,0,0|2,0,0]=4 19212 B15R1.1264 CCOC(=O)COCCSCC1COC1 62a_100000088970_100010264016 [0,1,0,1,0,0|2,0,0]=4 19213 B15R1.1264 CCOC(=O)COCCSCC1COC1 62a_100010264016_100000088970 [0,1,0,1,0,0|2,0,0]=4 19214 B15R1.1264 CCOC(=O)CSCCOCC1CCC1 7a_200000230590_100000763275 [0,1,0,1,0,0|1,0,0]=3 19215 B15R1.1264 CCOC(=O)CSCCOCC1CCO1 7a_200000230590_100000103362 [0,1,0,1,0,0|2,0,0]=4 19216 B15R1.1264 CCOC(=O)CSCCOCC1COC1 7a_200000230590_100010264016 [0,1,0,1,0,0|2,0,0]=4 19217 B15R1.2517 CCOC(=O)CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000750268 [0,1,0,1,0,0|1,0,0]=3 19218 B15R1.2517 CCOC(=O)CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000750268 [0,1,0,1,0,0|1,0,0]=3 19219 B15R1.2517 CCOC(=O)COCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000088970 [0,1,0,1,0,0|2,0,0]=4 19220 B15R1.2517 CCOC(=O)COCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000088970 [0,1,0,1,0,0|2,0,0]=4 19221 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 269982a_100000755817_100000755133 [0,1,0,1,0,0|0,0,0]=2 19222 B15R1.3865 CCOC(=O)CCCCCN1CCC1C 34a_100000755817_100000755133 [0,1,0,1,0,0|0,0,0]=2 19223 B15R1.3865 CCOC(=O)CCCCSC1CCC1=O 62a_100000750268_100009892977 [0,1,0,1,0,0|1,0,1]=4 19224 B15R1.3865 CCOC(=O)CCCCSC1CCC1=O 62a_100009892977_100000750268 [0,1,0,1,0,0|1,0,1]=4 19225 B15R1.3865 CCOC(=O)CCSCCC1CCC1=O 62a_100000765890_200016118888 [0,1,0,1,0,0|1,0,1]=4 19226 B15R1.3865 CCOC(=O)CCSCCC1CCC1=O 62a_200016118888_100000765890 [0,1,0,1,0,0|1,0,1]=4 19227 B15R1.3865 CCOC(=O)COCCCN1CCC1C 269982a_100000755817_100009893628 [0,1,0,1,0,0|1,0,0]=3 19228 B15R1.3865 CCOC(=O)COCCCN1CCC1C 34a_100000755817_100009893628 [0,1,0,1,0,0|1,0,0]=3 19229 B15R1.3868 CCOC(=O)CCN1CCC[C@@]1(C)CO 2230a_100016195882_100011206558 [0,1,0,1,0,0|2,0,0]=4 19230 B15R1.3868 CCOC(=O)CCN1CCC[C@@]1(C)CO 269982a_100016195882_100011206558 [0,1,0,1,0,0|2,0,0]=4 19231 B15R1.3868 CCOC(=O)CCN1CCC[C@@]1(C)CO 34a_100016195882_100000765890 [0,1,0,1,0,0|2,0,0]=4 19232 B15R1.9901 CCNC(=O)CCNC1CCC(C1)CC 270004a_100025743525_100011218773 [0,1,0,1,0,0|2,0,0]=4 19233 B15R1.9901 CCOC(=O)CCCN1CCC(C1)CO 2230a_100000748654_100009991533 [0,1,0,1,0,0|2,0,0]=4 19234 B15R1.9901 CCOC(=O)CCCN1CCC(C1)CO 269982a_100000748654_100009991533 [0,1,0,1,0,0|2,0,0]=4 19235 B15R1.9901 CCOC(=O)CCCN1CCC(C1)CO 34a_100000748654_100009991533 [0,1,0,1,0,0|2,0,0]=4 19236 B15R1.9901 CCOC(=O)CCCN1CC[C@H](C1)OC 2230a_100000766984_100009991533 [0,1,0,1,0,0|2,0,0]=4 19237 B15R1.9901 CCOC(=O)CCCN1CC[C@H](C1)OC 269982a_100000766984_100009991533 [0,1,0,1,0,0|2,0,0]=4 19238 B15R1.9901 CCOC(=O)CCNC1CCN(C1)CC 2230a_100015188829_100011206558 [0,1,0,1,0,0|2,0,0]=4 19239 B15R1.9901 CCOC(=O)CCSC1CCN(C1)CC 62a_100000765890_200011861547 [0,1,0,1,0,0|2,0,0]=4 19240 B15R1.9901 CCOC(=O)CNCC1CCN(C1)CC 2230a_100011224064_100000188475 [0,1,0,1,0,0|2,0,0]=4 19241 B15R1.9901 CCOC(=O)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000188475 [0,1,0,1,0,0|2,0,0]=4 19242 B15R1.9901 CCOC(=O)COC[C@H]1CC[C@H](C1)CN 34a_206354213956_100000188475 [0,1,0,1,0,0|2,0,0]=4 19243 B15R1.9901 CCOC(=O)CSCC1CCN(C1)CC 62a_100000188475_100015184589 [0,1,0,1,0,0|2,0,0]=4 19244 B15R1.9901 CCOC(=O)CSCC1CCN(C1)CC 62a_100015184589_100000188475 [0,1,0,1,0,0|2,0,0]=4 19245 B15R1.10379 CCOC(=O)CCCCN1CC(C1)CC 2230a_100015205115_100000750268 [0,1,0,1,0,0|1,0,0]=3 19246 B15R1.10379 CCOC(=O)CCCCN1CC(C1)CC 269982a_100015205115_100000750268 [0,1,0,1,0,0|1,0,0]=3 19247 B15R1.10379 CCOC(=O)CCCCN1CC(C1)CF 269982a_100010363649_100000750268 [0,1,0,1,0,0|2,0,0]=4 19248 B15R1.10379 CCOC(=O)CCCCN1CC(C1)CF 34a_100010363649_100000750268 [0,1,0,1,0,0|2,0,0]=4 19249 B15R1.10379 CCOC(=O)CCCCN1CC(C1)CO 269982a_100016987283_100000750268 [0,1,0,1,0,0|2,0,0]=4 19250 B15R1.10379 CCOC(=O)CCCCN1CC(C1)CO 34a_100016987283_100000750268 [0,1,0,1,0,0|2,0,0]=4 19251 B15R1.10379 CCOC(=O)CCCCN1CC(C1)OC 269982a_100000755009_100000750268 [0,1,0,1,0,0|2,0,0]=4 19252 B15R1.10379 CCOC(=O)CCCCN1CC(C1)SC 269982a_100016990038_100000750268 [0,1,0,1,0,0|2,0,0]=4 19253 B15R1.10379 CCOC(=O)CCCNC1CN(C1)CC 2230a_200015199589_100009991533 [0,1,0,1,0,0|2,0,0]=4 19254 B15R1.10379 CCOC(=O)CCCN[C@H]1C[C@@H](C1)OC 2230a_100121570643_100009991533 [0,1,0,1,0,0|2,0,0]=4 19255 B15R1.10379 CCOC(=O)CCCSC1CC(C1)CO 62a_100009874164_100009991533 [0,1,0,1,0,0|2,0,0]=4 19256 B15R1.10379 CCOC(=O)CCCSC1CC(C1)CO 62a_100009991533_100009874164 [0,1,0,1,0,0|2,0,0]=4 19257 B15R1.10379 CCOC(=O)COCCN1CC(C1)CC 2230a_100015205115_100000088970 [0,1,0,1,0,0|2,0,0]=4 19258 B15R1.10379 CCOC(=O)COCCN1CC(C1)CC 269982a_100015205115_100000088970 [0,1,0,1,0,0|2,0,0]=4 19259 B15R1.10389 CCCC(=O)COC1CCCC(C1)CC 7a_100011985506_100000747444 [0,1,0,1,0,0|2,0,0]=4 19260 B15R1.10389 CCNC(=O)CNC1CCCC(C1)CC 270004a_100016988866_100000756783 [0,1,0,1,0,0|2,0,0]=4 19261 B15R1.10389 CCNC(=O)COC1CCCC(C1)CC 7a_100011985506_100000183381 [0,1,0,1,0,0|2,0,0]=4 19262 B15R1.10389 CCOC(=O)CCN1CCCC(C1)CF 2230a_100016992999_100011206558 [0,1,0,1,0,0|2,0,0]=4 19263 B15R1.10389 CCOC(=O)CCN1CCCC(C1)CF 269982a_100016992999_100011206558 [0,1,0,1,0,0|2,0,0]=4 19264 B15R1.10389 CCOC(=O)CCN1CCCC(C1)CF 34a_100016992999_100000765890 [0,1,0,1,0,0|2,0,0]=4 19265 B15R1.10389 CCOC(=O)CCN1CCCC(C1)CO 2230a_100000211344_100011206558 [0,1,0,1,0,0|2,0,0]=4 19266 B15R1.10389 CCOC(=O)CCN1CCCC(C1)CO 269982a_100000211344_100011206558 [0,1,0,1,0,0|2,0,0]=4 19267 B15R1.10389 CCOC(=O)CCN1CCCC(C1)CO 34a_100000211344_100000765890 [0,1,0,1,0,0|2,0,0]=4 19268 B15R1.10389 CCOC(=O)CCN1CCCC(C1)OC 2230a_100000695604_100011206558 [0,1,0,1,0,0|2,0,0]=4 19269 B15R1.10389 CCOC(=O)CCN1CCCC(C1)OC 269982a_100000695604_100011206558 [0,1,0,1,0,0|2,0,0]=4 19270 B15R1.10389 CCOC(=O)CCN1CCCC(C1)OC 34a_100000695604_100000765890 [0,1,0,1,0,0|2,0,0]=4 19271 B15R1.10389 CCOC(=O)CCN1CCOC(C1)CC 2230a_100000736320_100011206558 [0,1,0,1,0,0|2,0,0]=4 19272 B15R1.10389 CCOC(=O)CCN1CCOC(C1)CC 269982a_100000736320_100011206558 [0,1,0,1,0,0|2,0,0]=4 19273 B15R1.10389 CCOC(=O)CCN1CCOC(C1)CC 34a_100000736320_100000765890 [0,1,0,1,0,0|2,0,0]=4 19274 B15R1.10389 CCOC(=O)CN[C@@H]1CCCN(C1)CC 2230a_100025775482_100000188475 [0,1,0,1,0,0|2,0,0]=4 19275 B15R1.10389 CCOC(=O)COC1CCCC(C1)CC 7a_100011985506_100000188475 [0,1,0,1,0,0|1,0,0]=3 19276 B15R1.10389 CCOC(=O)COC1CCCC(C1)CN 34a_100011254705_100000188475 [0,1,0,1,0,0|2,0,0]=4 19277 B15R1.10523 CCOC(=O)CCCCCNC1(CC1)C 2230a_100000757604_100000755133 [0,1,0,1,0,0|1,0,0]=3 19278 B15R1.10523 CCOC(=O)CCCCCOC1(CC1)C 7a_100011725673_100000755133 [0,1,0,1,0,0|1,0,0]=3 19279 B15R1.10523 CCOC(=O)CCCCNCC1(CC1)C 2230a_100000766693_100000750268 [0,1,0,1,0,0|1,0,0]=3 19280 B15R1.10523 CCOC(=O)CCCCNCC1(CC1)O 2230a_100011936951_100000750268 [0,1,0,1,0,0|1,0,0]=3 19281 B15R1.10523 CCOC(=O)CCCCOCC1(CC1)C 7a_100000698024_100000750268 [0,1,0,1,0,0|1,0,0]=3 19282 B15R1.10523 CCOC(=O)CCCCOCC1(CC1)F 34a_200000703853_100000750268 [0,1,0,1,0,0|1,0,0]=3 19283 B15R1.10523 CCOC(=O)CCCCOCC1(CC1)F 7a_200000703853_100000750268 [0,1,0,1,0,0|1,0,0]=3 19284 B15R1.10523 CCOC(=O)CCCCSCC1(CO1)C 62a_100000750268_100000760498 [0,1,0,1,0,0|2,0,0]=4 19285 B15R1.10523 CCOC(=O)CCCCSCC1(CO1)C 62a_100000760498_100000750268 [0,1,0,1,0,0|2,0,0]=4 19286 B15R1.10523 CCOC(=O)COCCCNC1(CC1)C 2230a_100000757604_100009893628 [0,1,0,1,0,0|2,0,0]=4 19287 B15R1.10523 CCOC(=O)COCCCOC1(CC1)C 7a_100011725673_100009893628 [0,1,0,1,0,0|2,0,0]=4 19288 B15R1.10523 CCOC(=O)COCCNCC1(CC1)C 2230a_100000766693_100000088970 [0,1,0,1,0,0|2,0,0]=4 19289 B15R1.10523 CCOC(=O)COCCNCC1(CC1)O 2230a_100011936951_100000088970 [0,1,0,1,0,0|2,0,0]=4 19290 B15R1.10523 CCOC(=O)COCCOCC1(CC1)C 7a_100000698024_100000088970 [0,1,0,1,0,0|2,0,0]=4 19291 B15R1.10523 CCOC(=O)COCCOCC1(CC1)F 34a_200000703853_100000088970 [0,1,0,1,0,0|2,0,0]=4 19292 B15R1.10523 CCOC(=O)COCCOCC1(CC1)F 7a_200000703853_100000088970 [0,1,0,1,0,0|2,0,0]=4 19293 B15R1.809 CCCC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000747444 [0,1,0,1,0,0|1,0,1]=4 19294 B15R1.809 CCCC(=O)CN(C)CC1CCCCC1 2230a_100000736448_100000747444 [0,1,0,1,0,0|2,0,0]=4 19295 B15R1.809 CCCC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000747444 [0,1,0,1,0,0|2,0,0]=4 19296 B15R1.809 CCNC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000183381 [0,1,0,1,0,0|1,0,1]=4 19297 B15R1.809 CCNC(=O)CN(C)CC1CCCCC1 2230a_100000736448_100000183381 [0,1,0,1,0,0|2,0,0]=4 19298 B15R1.809 CCNC(=O)CN(C)CC1CCCCC1 2230a_100000741943_100000211423 [0,1,0,1,0,0|2,0,0]=4 19299 B15R1.809 CCNC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000183381 [0,1,0,1,0,0|2,0,0]=4 19300 B15R1.809 CCNC(=O)CN(C)CC1CCCCC1 269982a_100000741943_100000211423 [0,1,0,1,0,0|2,0,0]=4 19301 B15R1.809 CCNC(=O)CN(C)CC1CCCCC1 34a_100000736448_100000183381 [0,1,0,1,0,0|2,0,0]=4 19302 B15R1.809 CCOC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000188475 [0,1,0,1,0,0|0,0,1]=3 19303 B15R1.809 CCOC(=O)CC(=O)CC1CCCCC1 1458a_100000243816_100000211423 [0,1,0,1,0,0|0,0,1]=3 19304 B15R1.809 CCOC(=O)CC(=O)CC1CCCCO1 1458a_100000238585_100000188475 [0,1,0,1,0,0|1,0,1]=4 19305 B15R1.809 CCOC(=O)CC(=O)CC1CCCCO1 1458a_100000243816_100000211543 [0,1,0,1,0,0|1,0,1]=4 19306 B15R1.809 CCOC(=O)CC(=O)CC1CCCOC1 1458a_100000243816_100000741521 [0,1,0,1,0,0|1,0,1]=4 19307 B15R1.809 CCOC(=O)CC(=O)CC1CCCOC1 1458a_100000741523_100000188475 [0,1,0,1,0,0|1,0,1]=4 19308 B15R1.809 CCOC(=O)CC(=O)CC1CCOCC1 1458a_100000243816_100000754603 [0,1,0,1,0,0|1,0,1]=4 19309 B15R1.809 CCOC(=O)CC(=O)CC1CCOCC1 1458a_100000757261_100000188475 [0,1,0,1,0,0|1,0,1]=4 19310 B15R1.809 CCOC(=O)CC(=O)CN1CCCCC1 1458a_100000740322_100000188475 [0,1,0,1,0,0|1,0,1]=4 19311 B15R1.809 CCOC(=O)CC(=O)NC1CCCCC1 240690a_100000182618_100000243816 [0,1,0,1,0,0|1,0,1]=4 19312 B15R1.809 CCOC(=O)CC(C)NC1CCCCC1 2230a_100000182618_100009817359 [0,1,0,1,0,0|1,0,0]=3 19313 B15R1.809 CCOC(=O)CC(C)NC1CCCOC1 2230a_100000719290_100009817359 [0,1,0,1,0,0|2,0,0]=4 19314 B15R1.809 CCOC(=O)CC(C)NC1CCOCC1 2230a_100000741149_100009817359 [0,1,0,1,0,0|2,0,0]=4 19315 B15R1.809 CCOC(=O)CC(C)NC1CCSCC1 2230a_100000748639_100009817359 [0,1,0,1,0,0|2,0,0]=4 19316 B15R1.809 CCOC(=O)CC(C)OC1CCCCC1 7a_100000210231_100009817359 [0,1,0,1,0,0|1,0,0]=3 19317 B15R1.809 CCOC(=O)CC(C)OC1CCCSC1 7a_100015962668_100009817359 [0,1,0,1,0,0|2,0,0]=4 19318 B15R1.809 CCOC(=O)CC(C)OC1CCSCC1 7a_100000731022_100009817359 [0,1,0,1,0,0|2,0,0]=4 19319 B15R1.809 CCOC(=O)CC(C)SC1CCCCC1 62a_100000210327_100009817359 [0,1,0,1,0,0|1,0,0]=3 19320 B15R1.809 CCOC(=O)CC(C)SC1CCCCC1 62a_100009817359_100000210327 [0,1,0,1,0,0|1,0,0]=3 19321 B15R1.809 CCOC(=O)CC(C)SC1CCCOC1 62a_100009817359_100000693364 [0,1,0,1,0,0|2,0,0]=4 19322 B15R1.809 CCOC(=O)CC(C)SC1CCOCC1 62a_100009817359_100011324220 [0,1,0,1,0,0|2,0,0]=4 19323 B15R1.809 CCOC(=O)CC(C)SC1CCSCC1 62a_100009817359_100000069128 [0,1,0,1,0,0|2,0,0]=4 19324 B15R1.809 CCOC(=O)CN(C)CC1CCCCC1 2230a_100000220588_100000211423 [0,1,0,1,0,0|1,0,0]=3 19325 B15R1.809 CCOC(=O)CN(C)CC1CCCCC1 2230a_100000736448_100000188475 [0,1,0,1,0,0|1,0,0]=3 19326 B15R1.809 CCOC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000188475 [0,1,0,1,0,0|1,0,0]=3 19327 B15R1.809 CCOC(=O)CN(C)CC1CCCCC1 34a_100000736448_100000188475 [0,1,0,1,0,0|1,0,0]=3 19328 B15R1.809 CCOC(=O)CN(C)CC1CCCCO1 2230a_100000220588_100000211543 [0,1,0,1,0,0|2,0,0]=4 19329 B15R1.809 CCOC(=O)CN(C)CC1CCCCO1 2230a_100000225654_100000188475 [0,1,0,1,0,0|2,0,0]=4 19330 B15R1.809 CCOC(=O)CN(C)CC1CCCCO1 269982a_100000225654_100000188475 [0,1,0,1,0,0|2,0,0]=4 19331 B15R1.809 CCOC(=O)CN(C)CC1CCCCO1 34a_100000225654_100000188475 [0,1,0,1,0,0|2,0,0]=4 19332 B15R1.809 CCOC(=O)CN(C)CC1CCCOC1 2230a_100000220588_100000741521 [0,1,0,1,0,0|2,0,0]=4 19333 B15R1.809 CCOC(=O)CN(C)CC1CCOCC1 2230a_100000220588_100000754603 [0,1,0,1,0,0|2,0,0]=4 19334 B15R1.809 CCOC(=O)CN(C)CC1CCOCC1 2230a_100025706683_100000188475 [0,1,0,1,0,0|2,0,0]=4 19335 B15R1.809 CCOC(=O)CN(C)CC1CCOCC1 269982a_100025706683_100000188475 [0,1,0,1,0,0|2,0,0]=4 19336 B15R1.809 CCOC(=O)CN(C)CC1CCOCC1 34a_100025706683_100000188475 [0,1,0,1,0,0|2,0,0]=4 19337 B15R1.809 CCOC(=O)CN(C)CC1CCSCC1 2230a_100011935259_100000188475 [0,1,0,1,0,0|2,0,0]=4 19338 B15R1.809 CCOC(=O)CN(C)CC1CCSCC1 269982a_100011935259_100000188475 [0,1,0,1,0,0|2,0,0]=4 19339 B15R1.809 CCOC(=O)CN(C)CC1CCSCC1 270004a_100000220588_100000067145 [0,1,0,1,0,0|2,0,0]=4 19340 B15R1.809 CCOC(=O)CN(C)CC1CCSCC1 34a_100011935259_100000188475 [0,1,0,1,0,0|2,0,0]=4 19341 B15R1.809 CCOC(=O)C[C@@H](C)OC1CCCCC1 7a_100009816390_100000210327 [0,1,0,1,0,0|1,0,0]=3 19342 B15R1.809 CCOC(=O)C[C@@H](C)OC1CCCOC1 7a_100009816390_100000693364 [0,1,0,1,0,0|2,0,0]=4 19343 B15R1.809 CCOC(=O)C[C@@H](C)OC1CCOCC1 7a_100009816390_100000686592 [0,1,0,1,0,0|2,0,0]=4 19344 B15R1.809 CCOC(=O)C[C@@H](C)OC1CCSCC1 7a_100009816390_100011500858 [0,1,0,1,0,0|2,0,0]=4 19345 B15R1.809 CCOC(=O)C[C@H](O)CN1CCCOC1 269982a_100000131196_100000688340 [0,1,0,1,0,0|2,0,0]=4 19346 B15R1.809 CCOC(=O)C[C@H](O)CN1CCCOC1 34a_100000131196_100000688340 [0,1,0,1,0,0|2,0,0]=4 19347 B15R1.809 CCOC(=O)C[C@H](O)CN1CCOCC1 269982a_100015191051_100000688340 [0,1,0,1,0,0|2,0,0]=4 19348 B15R1.809 CCOC(=O)C[C@H](O)CN1CCOCC1 34a_100015191051_100000688340 [0,1,0,1,0,0|2,0,0]=4 19349 B15R1.809 CCOC(=O)C[C@H](O)CN1CCSCC1 269982a_100000737611_100000688340 [0,1,0,1,0,0|2,0,0]=4 19350 B15R1.809 CCOC(=O)OC(C)SC1CCCCC1 62a_100000036008_100000210327 [0,1,0,1,0,0|2,0,0]=4 19351 B15R1.809 CCOC(=O)OC(C)SC1CCCCC1 62a_100000210327_100000036008 [0,1,0,1,0,0|2,0,0]=4 19352 B15R1.1284 CCCC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000747444 [0,1,0,1,0,0|1,0,1]=4 19353 B15R1.1284 CCNC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000183381 [0,1,0,1,0,0|1,0,1]=4 19354 B15R1.1284 CCNC(=O)CN(C)CCC1CCCC1 2230a_100000741943_100000760354 [0,1,0,1,0,0|2,0,0]=4 19355 B15R1.1284 CCNC(=O)CN(C)CCC1CCCC1 269982a_100000741943_100000760354 [0,1,0,1,0,0|2,0,0]=4 19356 B15R1.1284 CCOC(=O)CC(=O)CCC1CCCC1 1458a_100000211120_100000188475 [0,1,0,1,0,0|0,0,1]=3 19357 B15R1.1284 CCOC(=O)CC(=O)CCC1CCCC1 1458a_100000243816_100000760354 [0,1,0,1,0,0|0,0,1]=3 19358 B15R1.1284 CCOC(=O)CC(=O)CCC1CCCO1 1458a_100011247709_100000188475 [0,1,0,1,0,0|1,0,1]=4 19359 B15R1.1284 CCOC(=O)CC(=O)CCN1CCCC1 1458a_100000243816_100000004467 [0,1,0,1,0,0|1,0,1]=4 19360 B15R1.1284 CCOC(=O)CC(=O)CCN1CCCC1 1458a_100000738983_100000188475 [0,1,0,1,0,0|1,0,1]=4 19361 B15R1.1284 CCOC(=O)CC(=O)COC1CCCC1 1458a_100000741352_100000188475 [0,1,0,1,0,0|1,0,1]=4 19362 B15R1.1284 CCOC(=O)CC(=O)CSC1CCCC1 62a_100000210311_100000179811 [0,1,0,1,0,0|1,0,1]=4 19363 B15R1.1284 CCOC(=O)CC(=O)CSC1CCCC1 62a_100011217020_100000210311 [0,1,0,1,0,0|1,0,1]=4 19364 B15R1.1284 CCOC(=O)CC(=O)NCC1CCCC1 240690a_100000737975_100000243816 [0,1,0,1,0,0|1,0,1]=4 19365 B15R1.1284 CCOC(=O)CC(C)NCC1CCCC1 2230a_100000737975_100009817359 [0,1,0,1,0,0|1,0,0]=3 19366 B15R1.1284 CCOC(=O)CC(C)NCC1CCOC1 2230a_100000737293_100009817359 [0,1,0,1,0,0|2,0,0]=4 19367 B15R1.1284 CCOC(=O)CC(C)NC[C@@H]1CCCO1 2230a_100020590478_100009817359 [0,1,0,1,0,0|2,0,0]=4 19368 B15R1.1284 CCOC(=O)CC(C)OCC1CCCC1 7a_100000742336_100009817359 [0,1,0,1,0,0|1,0,0]=3 19369 B15R1.1284 CCOC(=O)CC(C)OCC1CCCO1 7a_100000210270_100009817359 [0,1,0,1,0,0|2,0,0]=4 19370 B15R1.1284 CCOC(=O)CC(C)SCC1CCCC1 62a_100000740388_100009817359 [0,1,0,1,0,0|1,0,0]=3 19371 B15R1.1284 CCOC(=O)CC(C)SCC1CCCC1 62a_100009817359_100000740388 [0,1,0,1,0,0|1,0,0]=3 19372 B15R1.1284 CCOC(=O)CC(C)SCC1CCCO1 62a_100000203698_100009817359 [0,1,0,1,0,0|2,0,0]=4 19373 B15R1.1284 CCOC(=O)CC(C)SCC1CCCO1 62a_100009817359_100000203698 [0,1,0,1,0,0|2,0,0]=4 19374 B15R1.1284 CCOC(=O)CC(C)SCC1CCOC1 62a_100000702531_100009817359 [0,1,0,1,0,0|2,0,0]=4 19375 B15R1.1284 CCOC(=O)CC(C)SCC1CCOC1 62a_100009817359_100000702531 [0,1,0,1,0,0|2,0,0]=4 19376 B15R1.1284 CCOC(=O)CN(C)CCC1CCCC1 2230a_100000220588_100000760354 [0,1,0,1,0,0|1,0,0]=3 19377 B15R1.1284 CCOC(=O)CN(C)CCN1CCCC1 2230a_100000225677_100000188475 [0,1,0,1,0,0|2,0,0]=4 19378 B15R1.1284 CCOC(=O)CN(C)CCN1CCCC1 269982a_100000225677_100000188475 [0,1,0,1,0,0|2,0,0]=4 19379 B15R1.1284 CCOC(=O)C[C@@H](C)OCC1CCCC1 7a_100009816390_100000740388 [0,1,0,1,0,0|1,0,0]=3 19380 B15R1.1284 CCOC(=O)C[C@@H](C)OCC1CCCO1 7a_100009816390_100000203698 [0,1,0,1,0,0|2,0,0]=4 19381 B15R1.1284 CCOC(=O)C[C@@H](C)OCC1CCOC1 7a_100009816390_100000702531 [0,1,0,1,0,0|2,0,0]=4 19382 B15R1.1284 CCOC(=O)C[C@H](O)CNC1CCCC1 34a_100000211070_100000688340 [0,1,0,1,0,0|1,0,0]=3 19383 B15R1.1284 CCOC(=O)C[C@H](O)CN[C@H]1CCOC1 34a_100015188467_100000688340 [0,1,0,1,0,0|2,0,0]=4 19384 B15R1.1284 CCOC(=O)C[C@H](O)COC1CCCC1 34a_100000210269_100000688340 [0,1,0,1,0,0|1,0,0]=3 19385 B15R1.1284 CCOC(=O)C[C@H](O)COC1CCCC1 7a_100000210269_100000688340 [0,1,0,1,0,0|1,0,0]=3 19386 B15R1.1284 CCOC(=O)C[C@H](O)COC1CCCO1 34a_100000085407_100000688340 [0,1,0,1,0,0|2,0,0]=4 19387 B15R1.1284 CCOC(=O)C[C@H](O)COC1CCSC1 7a_100011232664_100000688340 [0,1,0,1,0,0|2,0,0]=4 19388 B15R1.1284 CCOC(=O)C[C@H](O)CO[C@H]1CCOC1 34a_100000717292_100000688340 [0,1,0,1,0,0|2,0,0]=4 19389 B15R1.1284 CCOC(=O)C[C@H](O)CSC1CCCC1 62a_100000688340_100000179811 [0,1,0,1,0,0|1,0,0]=3 19390 B15R1.1284 CCOC(=O)C[C@H](O)CSC1CCCC1 62a_100011217020_100000688340 [0,1,0,1,0,0|1,0,0]=3 19391 B15R1.1284 CCOC(=O)C[C@H](O)CSC1CCOC1 62a_100000688340_100000690089 [0,1,0,1,0,0|2,0,0]=4 19392 B15R1.1284 CCOC(=O)OC(C)SCC1CCCC1 62a_100000036008_100000740388 [0,1,0,1,0,0|2,0,0]=4 19393 B15R1.1284 CCOC(=O)OC(C)SCC1CCCC1 62a_100000740388_100000036008 [0,1,0,1,0,0|2,0,0]=4 19394 B15R1.1949 CCCCCCCN1CCCNC(=O)C1 2230a_100015190381_100000210681 [0,1,0,1,0,0|2,0,0]=4 19395 B15R1.2617 CCOC(=O)C[C@H](O)COCC1CC1C 34a_100000744939_100000688340 [0,1,0,1,0,0|1,0,0]=3 19396 B15R1.2617 CCOC(=O)C[C@H](O)COCC1CC1C 7a_100000744939_100000688340 [0,1,0,1,0,0|1,0,0]=3 19397 B15R1.2618 CCOC(=O)CC(=O)CSCC1CCC1 62a_100000210311_100000763275 [0,1,0,1,0,0|1,0,1]=4 19398 B15R1.2618 CCOC(=O)CC(=O)CSCC1CCC1 62a_100000763275_100000210311 [0,1,0,1,0,0|1,0,1]=4 19399 B15R1.2618 CCOC(=O)C[C@H](O)CNCC1CCC1 34a_100000738700_100000688340 [0,1,0,1,0,0|1,0,0]=3 19400 B15R1.2618 CCOC(=O)C[C@H](O)CNCC1COC1 34a_100015281925_100000688340 [0,1,0,1,0,0|2,0,0]=4 19401 B15R1.2618 CCOC(=O)C[C@H](O)CNC[C@@H]1CCO1 34a_100020831831_100000688340 [0,1,0,1,0,0|2,0,0]=4 19402 B15R1.2618 CCOC(=O)C[C@H](O)COCC1CCC1 34a_100000760304_100000688340 [0,1,0,1,0,0|1,0,0]=3 19403 B15R1.2618 CCOC(=O)C[C@H](O)COCC1CCO1 34a_100000039022_100000688340 [0,1,0,1,0,0|2,0,0]=4 19404 B15R1.2618 CCOC(=O)C[C@H](O)COCC1CNC1 34a_100016987283_100000688340 [0,1,0,1,0,0|2,0,0]=4 19405 B15R1.2618 CCOC(=O)C[C@H](O)COCC1COC1 34a_100000060846_100000688340 [0,1,0,1,0,0|2,0,0]=4 19406 B15R1.2618 CCOC(=O)C[C@H](O)CSCC1CCC1 62a_100000688340_100000763275 [0,1,0,1,0,0|1,0,0]=3 19407 B15R1.2618 CCOC(=O)C[C@H](O)CSCC1CCC1 62a_100000763275_100000688340 [0,1,0,1,0,0|1,0,0]=3 19408 B15R1.2618 CCOC(=O)C[C@H](O)CSCC1CCO1 62a_100000103362_100000688340 [0,1,0,1,0,0|2,0,0]=4 19409 B15R1.2618 CCOC(=O)C[C@H](O)CSCC1CCO1 62a_100000688340_100000103362 [0,1,0,1,0,0|2,0,0]=4 19410 B15R1.2618 CCOC(=O)C[C@H](O)CSCC1COC1 62a_100000688340_100010264016 [0,1,0,1,0,0|2,0,0]=4 19411 B15R1.2618 CCOC(=O)C[C@H](O)CSCC1COC1 62a_100010264016_100000688340 [0,1,0,1,0,0|2,0,0]=4 19412 B15R1.2619 CCOC(=O)CC(=O)CSCCC1CC1 62a_100000210311_100000764125 [0,1,0,1,0,0|1,0,1]=4 19413 B15R1.2619 CCOC(=O)CC(=O)CSCCC1CC1 62a_100000764125_100000210311 [0,1,0,1,0,0|1,0,1]=4 19414 B15R1.2619 CCOC(=O)CC(C)SCCCC1CO1 62a_100000733510_100009817359 [0,1,0,1,0,0|2,0,0]=4 19415 B15R1.2619 CCOC(=O)CC(C)SCCCC1CO1 62a_100009817359_100000733510 [0,1,0,1,0,0|2,0,0]=4 19416 B15R1.2619 CCOC(=O)C[C@@H](C)OCCCC1CO1 7a_100009816390_100000733510 [0,1,0,1,0,0|2,0,0]=4 19417 B15R1.2619 CCOC(=O)C[C@H](O)CNCCC1CC1 34a_100000764129_100000688340 [0,1,0,1,0,0|1,0,0]=3 19418 B15R1.2619 CCOC(=O)C[C@H](O)COCCC1CC1 34a_100000754188_100000688340 [0,1,0,1,0,0|1,0,0]=3 19419 B15R1.2619 CCOC(=O)C[C@H](O)COCCC1CC1 7a_100000754188_100000688340 [0,1,0,1,0,0|1,0,0]=3 19420 B15R1.2619 CCOC(=O)C[C@H](O)COCC[C@@H]1CO1 34a_100009820653_100000688340 [0,1,0,1,0,0|2,0,0]=4 19421 B15R1.2619 CCOC(=O)C[C@H](O)CSCCC1CC1 62a_100000688340_100000764125 [0,1,0,1,0,0|1,0,0]=3 19422 B15R1.2619 CCOC(=O)C[C@H](O)CSCCC1CC1 62a_100000764125_100000688340 [0,1,0,1,0,0|1,0,0]=3 19423 B15R1.2619 CCOC(=O)C[C@H](O)CSCCC1CO1 62a_100000688340_100000732470 [0,1,0,1,0,0|2,0,0]=4 19424 B15R1.2619 CCOC(=O)C[C@H](O)CSCCC1CO1 62a_100000732470_100000688340 [0,1,0,1,0,0|2,0,0]=4 19425 B15R1.3521 CCCCCCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210314 [0,1,0,1,0,0|2,0,0]=4 19426 B15R1.3521 CCCCCCNC1CC(=O)N(C1)CC 34a_100015184948_100000210314 [0,1,0,1,0,0|2,0,0]=4 19427 B15R1.3521 CCCCCNCC1CC(=O)N(C1)CC 2230a_100011935115_100000210326 [0,1,0,1,0,0|2,0,0]=4 19428 B15R1.3521 CCCCCNCC1CC(=O)N(C1)CC 34a_100011935115_100000718602 [0,1,0,1,0,0|2,0,0]=4 19429 B15R1.3521 CCCCCOCC1CC(=O)N(C1)CC 34a_100000758270_100000718602 [0,1,0,1,0,0|2,0,0]=4 19430 B15R1.3521 CCCCCOCC1CC(=O)N(C1)CC 7a_100000758270_100000210326 [0,1,0,1,0,0|2,0,0]=4 19431 B15R1.3722 CCCC(=O)CC(=O)C1CCCCC1C 1458a_100011215568_100000747444 [0,1,0,1,0,0|1,0,1]=4 19432 B15R1.3722 CCNC(=O)CC(=O)C1CCCCC1C 1458a_100011215568_100000183381 [0,1,0,1,0,0|1,0,1]=4 19433 B15R1.3722 CCNC(=O)CN(C)C1CCCCC1C 270004a_100000741943_100000210921 [0,1,0,1,0,0|2,0,0]=4 19434 B15R1.3722 CCOC(=O)CC(=O)C1CCCCC1C 1458a_100011215568_100000188475 [0,1,0,1,0,0|0,0,1]=3 19435 B15R1.3722 CCOC(=O)CC(=O)C1CCCCC1O 1458a_100011803323_100000188475 [0,1,0,1,0,0|1,0,1]=4 19436 B15R1.3722 CCOC(=O)CC(=O)N1CCCCC1C 240690a_100000211376_100000243816 [0,1,0,1,0,0|1,0,1]=4 19437 B15R1.3722 CCOC(=O)CC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000188475 [0,1,0,1,0,0|1,0,1]=4 19438 B15R1.3722 CCOC(=O)CC(C)N1CCCCC1C 2230a_100000211376_100009817359 [0,1,0,1,0,0|1,0,0]=3 19439 B15R1.3722 CCOC(=O)CC(C)N1CCCCC1C 269982a_100000211376_100009817359 [0,1,0,1,0,0|1,0,0]=3 19440 B15R1.3722 CCOC(=O)CC(C)N1CCOC[C@@H]1C 2230a_100009815349_100009817359 [0,1,0,1,0,0|2,0,0]=4 19441 B15R1.3722 CCOC(=O)CC(C)N1CCOC[C@@H]1C 269982a_100009815349_100009817359 [0,1,0,1,0,0|2,0,0]=4 19442 B15R1.3722 CCOC(=O)CN(C)C1CCCCC1C 270004a_100000220588_100000210921 [0,1,0,1,0,0|1,0,0]=3 19443 B15R1.3722 CCOC(=O)CN(C)C1CCNCC1C 270004a_100000220588_100000703950 [0,1,0,1,0,0|2,0,0]=4 19444 B15R1.3722 CCOC(=O)CN(C)C1CCOCC1C 270004a_100000220588_100000755695 [0,1,0,1,0,0|2,0,0]=4 19445 B15R1.3722 CCOC(=O)CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_100000188475 [0,1,0,1,0,0|2,0,0]=4 19446 B15R1.3722 CCOC(=O)OC(C)N1CCCCC1C 269982a_100000211376_100000036008 [0,1,0,1,0,0|2,0,0]=4 19447 B15R1.3728 CCNC(=O)CN(C)C1CCCC1CC 270004a_100000741943_100000749056 [0,1,0,1,0,0|2,0,0]=4 19448 B15R1.3728 CCOC(=O)CC(=O)C1CCCN1CC 1458a_106256033941_100000188475 [0,1,0,1,0,0|1,0,1]=4 19449 B15R1.3728 CCOC(=O)CC(=O)N1CCCC1CC 240690a_100000754278_100000243816 [0,1,0,1,0,0|1,0,1]=4 19450 B15R1.3728 CCOC(=O)CC(C)N1CCCC1CC 2230a_100000754278_100009817359 [0,1,0,1,0,0|1,0,0]=3 19451 B15R1.3728 CCOC(=O)CC(C)N1CCCC1CC 269982a_100000754278_100009817359 [0,1,0,1,0,0|1,0,0]=3 19452 B15R1.3728 CCOC(=O)CC(C)N1CCC[C@@H]1CO 2230a_100000745186_100009817359 [0,1,0,1,0,0|2,0,0]=4 19453 B15R1.3728 CCOC(=O)CC(C)N1CCC[C@@H]1CO 269982a_100000745186_100009817359 [0,1,0,1,0,0|2,0,0]=4 19454 B15R1.3728 CCOC(=O)CN(C)C1CCCC1CC 270004a_100000220588_100000749056 [0,1,0,1,0,0|1,0,0]=3 19455 B15R1.3728 CCOC(=O)OC(C)N1CCCC1CC 269982a_100000754278_100000036008 [0,1,0,1,0,0|2,0,0]=4 19456 B15R1.3730 CCOC(=O)CC(=O)CN1CCC[C@@H]1C 269982a_100020605311_100000210311 [0,1,0,1,0,0|1,0,1]=4 19457 B15R1.3730 CCOC(=O)CC(=O)CN1CCC[C@H]1C 269982a_100015189458_100000210311 [0,1,0,1,0,0|1,0,1]=4 19458 B15R1.3730 CCOC(=O)CC(C)OC1CCCC1C 7a_100011216460_100009817359 [0,1,0,1,0,0|1,0,0]=3 19459 B15R1.3730 CCOC(=O)CC(C)S[C@@H]1CCC[C@H]1O 62a_100009817359_200016002552 [0,1,0,1,0,0|2,0,0]=4 19460 B15R1.3730 CCOC(=O)CC(C)S[C@@H]1CCC[C@H]1O 62a_200016002552_100009817359 [0,1,0,1,0,0|2,0,0]=4 19461 B15R1.3730 CCOC(=O)C[C@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100000688340 [0,1,0,1,0,0|1,0,0]=3 19462 B15R1.3730 CCOC(=O)C[C@H](O)CN1CCC[C@H]1C 269982a_100015189458_100000688340 [0,1,0,1,0,0|1,0,0]=3 19463 B15R1.3730 CCOC(=O)C[C@H](O)CN1CCC[C@H]1C 34a_100015189458_100000688340 [0,1,0,1,0,0|1,0,0]=3 19464 B15R1.3730 CCOC(=O)C[C@H](O)CN1CCSC1C 269982a_200011216479_100000688340 [0,1,0,1,0,0|2,0,0]=4 19465 B15R1.3730 CCOC(=O)C[C@H](O)CN1CCSC1C 34a_200011216479_100000688340 [0,1,0,1,0,0|2,0,0]=4 19466 B15R1.4163 CCCCCCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210681 [0,1,0,1,0,0|1,0,1]=4 19467 B15R1.4163 CCCCCCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210681 [0,1,0,1,0,0|1,0,1]=4 19468 B15R1.4163 CCCCCCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210614 [0,1,0,1,0,0|1,0,1]=4 19469 B15R1.5906 CCCCCCCC(=O)C1CCCC1=O 1458a_100000211969_100000211823 [0,1,0,1,0,0|1,0,1]=4 19470 B15R1.5906 CCCCCCCC(=O)C1CCOC1=O 1458a_100000211969_100000211211 [0,1,0,1,0,0|0,0,1]=3 19471 B15R1.5906 CCCCCCCN(C)C1CCCC1=O 2230a_100000228206_100000211823 [0,1,0,1,0,0|2,0,0]=4 19472 B15R1.5906 CCCCCCCN(C)C1CCCC1=O 269982a_100000228206_100000211823 [0,1,0,1,0,0|2,0,0]=4 19473 B15R1.5906 CCCCCCCN(C)C1CCOC1=O 2230a_100000228206_100000211211 [0,1,0,1,0,0|1,0,0]=3 19474 B15R1.5906 CCCCCCCN(C)C1CCOC1=O 269982a_100000228206_100000211211 [0,1,0,1,0,0|1,0,0]=3 19475 B15R1.5906 COCCCCCC(=O)C1CCOC1=O 1458a_100011935119_100000211211 [0,1,0,1,0,0|1,0,1]=4 19476 B15R1.5906 O=C(CCCCCCO)C1CCOC1=O 1458a_100011996774_100000211211 [0,1,0,1,0,0|1,0,1]=4 19477 B15R1.7008 CCOC(=O)CC(C)N1CCC1COC 2230a_100015195929_100009817359 [0,1,0,1,0,0|2,0,0]=4 19478 B15R1.7008 CCOC(=O)CC(C)N1CCC1COC 269982a_100015195929_100009817359 [0,1,0,1,0,0|2,0,0]=4 19479 B15R1.10705 C=COC(=O)CN1CCCCCCCC1 2230a_100000039187_100000036128 [0,1,0,1,0,0|0,0,2]=4 19480 B15R1.10705 C=COC(=O)CN1CCCCCCCC1 269982a_100000039187_100000036128 [0,1,0,1,0,0|0,0,2]=4 19481 B15R1.10705 C=COC(=O)CN1CCCCCCCC1 34a_100000039187_100000036128 [0,1,0,1,0,0|0,0,2]=4 19482 B15R1.10705 CCCC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747444 [0,1,0,1,0,0|1,0,0]=3 19483 B15R1.10705 CCCC(=O)CN1CCCCCCCC1 269982a_100000039187_100000747444 [0,1,0,1,0,0|1,0,0]=3 19484 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 2230a_100000039187_100000183381 [0,1,0,1,0,0|1,0,0]=3 19485 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 269982a_100000039187_100000183381 [0,1,0,1,0,0|1,0,0]=3 19486 B15R1.10705 CCNC(=O)CN1CCCCCCCC1 34a_100000039187_100000183381 [0,1,0,1,0,0|1,0,0]=3 19487 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 2230a_100000039187_100000188475 [0,1,0,1,0,0|0,0,0]=2 19488 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 269982a_100000039187_100000188475 [0,1,0,1,0,0|0,0,0]=2 19489 B15R1.10705 CCOC(=O)CN1CCCCCCCC1 34a_100000039187_100000188475 [0,1,0,1,0,0|0,0,0]=2 19490 B15R1.10705 O=C(CN1CCCCCCCC1)NCO 2230a_100000039187_100000185155 [0,1,0,1,0,0|2,0,0]=4 19491 B15R1.10705 O=C(CN1CCCCCCCC1)NCO 269982a_100000039187_100000185155 [0,1,0,1,0,0|2,0,0]=4 19492 B15R1.10705 O=C(CN1CCCCCCCC1)NCO 34a_100000039187_100000185155 [0,1,0,1,0,0|2,0,0]=4 19493 B15R1.11124 CCCCN1CC[C@@H](C1)CC(=O)OCC 2230a_106256037354_100000210211 [0,1,0,1,0,0|1,0,0]=3 19494 B15R1.11124 CCCCN1CC[C@@H](C1)CC(=O)OCC 269982a_106256037354_100000210211 [0,1,0,1,0,0|1,0,0]=3 19495 B15R1.11124 CCOC(=O)C[C@H]1CCN(C1)CCCF 2230a_106256037354_100011934791 [0,1,0,1,0,0|2,0,0]=4 19496 B15R1.11124 CCOC(=O)C[C@H]1CCN(C1)CCCF 269982a_106256037354_100011934791 [0,1,0,1,0,0|2,0,0]=4 19497 B15R1.11124 CCOC(=O)C[C@H]1CCN(C1)CCCO 2230a_106256037354_100000230001 [0,1,0,1,0,0|2,0,0]=4 19498 B15R1.11124 CCOC(=O)C[C@H]1CCN(C1)CCCO 269982a_106256037354_100011215043 [0,1,0,1,0,0|2,0,0]=4 19499 B15R1.11124 CCOC(=O)C[C@H]1CCN(C1)CCOC 2230a_106256037354_100011201679 [0,1,0,1,0,0|2,0,0]=4 19500 B15R1.11124 CCOC(=O)C[C@H]1CCN(C1)CCOC 269982a_106256037354_100000233755 [0,1,0,1,0,0|2,0,0]=4 19501 B15R1.11124 CCOC(=O)C[C@H]1CCN(C1)CCSC 2230a_106256037354_100000751147 [0,1,0,1,0,0|2,0,0]=4 19502 B15R1.11124 CCOC(=O)C[C@H]1CCN(C1)CCSC 269982a_106256037354_100000212216 [0,1,0,1,0,0|2,0,0]=4 19503 B15R1.11124 CCOCN1CC[C@@H](C1)CC(=O)OCC 269982a_106256037354_100000739092 [0,1,0,1,0,0|2,0,0]=4 19504 B15R1.11888 CCCCCCCC(=O)CC(=O)C1CC1 1458a_100000211969_100000746382 [0,1,0,1,0,0|1,0,1]=4 19505 B15R1.11888 CCCCCCCN(C)CC(=O)C1CC1 2230a_100000228206_100000746382 [0,1,0,1,0,0|2,0,0]=4 19506 B15R1.11888 CCCCCCCN(C)CC(=O)C1CC1 269982a_100000228206_100000746382 [0,1,0,1,0,0|2,0,0]=4 19507 B15R1.16078 CCCC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000747444 [0,1,0,1,0,0|1,0,1]=4 19508 B15R1.16078 CCCC(=O)CC(C)N1CCCCCC1 1458a_100015185830_100000210303 [0,1,0,1,0,0|2,0,0]=4 19509 B15R1.16078 CCCC(=O)CN(C)C1CCCCCC1 2230a_100015185097_100000747444 [0,1,0,1,0,0|2,0,0]=4 19510 B15R1.16078 CCCC(=O)CN(C)C1CCCCCC1 269982a_100015185097_100000747444 [0,1,0,1,0,0|2,0,0]=4 19511 B15R1.16078 CCNC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000183381 [0,1,0,1,0,0|1,0,1]=4 19512 B15R1.16078 CCNC(=O)CC(C)N1CCCCCC1 240690a_100015525214_100015185830 [0,1,0,1,0,0|2,0,0]=4 19513 B15R1.16078 CCNC(=O)CN(C)C1CCCCCC1 2230a_100015185097_100000183381 [0,1,0,1,0,0|2,0,0]=4 19514 B15R1.16078 CCNC(=O)CN(C)C1CCCCCC1 269982a_100000741943_100011217769 [0,1,0,1,0,0|2,0,0]=4 19515 B15R1.16078 CCNC(=O)CN(C)C1CCCCCC1 269982a_100015185097_100000183381 [0,1,0,1,0,0|2,0,0]=4 19516 B15R1.16078 CCNC(=O)CN(C)C1CCCCCC1 270004a_100000741943_100000210131 [0,1,0,1,0,0|2,0,0]=4 19517 B15R1.16078 CCNC(=O)CN(C)C1CCCCCC1 34a_100015185097_100000183381 [0,1,0,1,0,0|2,0,0]=4 19518 B15R1.16078 CCOC(=O)CC(=O)C1CCCCCC1 1458a_100000243816_100011217769 [0,1,0,1,0,0|0,0,1]=3 19519 B15R1.16078 CCOC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000188475 [0,1,0,1,0,0|0,0,1]=3 19520 B15R1.16078 CCOC(=O)CC(=O)N1CCCCCC1 240690a_100000185865_100000243816 [0,1,0,1,0,0|1,0,1]=4 19521 B15R1.16078 CCOC(=O)CC(C)N1CCCCCC1 2230a_100000185865_100009817359 [0,1,0,1,0,0|1,0,0]=3 19522 B15R1.16078 CCOC(=O)CC(C)N1CCCCCC1 269982a_100000185865_100009817359 [0,1,0,1,0,0|1,0,0]=3 19523 B15R1.16078 CCOC(=O)CC(C)N1CCCOCC1 2230a_100000685342_100009817359 [0,1,0,1,0,0|2,0,0]=4 19524 B15R1.16078 CCOC(=O)CC(C)N1CCCOCC1 269982a_100000685342_100009817359 [0,1,0,1,0,0|2,0,0]=4 19525 B15R1.16078 CCOC(=O)CN(C)C1CCCCCC1 2230a_100015185097_100000188475 [0,1,0,1,0,0|1,0,0]=3 19526 B15R1.16078 CCOC(=O)CN(C)C1CCCCCC1 269982a_100015185097_100000188475 [0,1,0,1,0,0|1,0,0]=3 19527 B15R1.16078 CCOC(=O)CN(C)C1CCCCCC1 270004a_100000220588_100000210131 [0,1,0,1,0,0|1,0,0]=3 19528 B15R1.16078 CCOC(=O)CN(C)C1CCCCCC1 34a_100015185097_100000188475 [0,1,0,1,0,0|1,0,0]=3 19529 B15R1.16078 CCOC(=O)CN(C)C1CCCNCC1 270004a_100000220588_100015187895 [0,1,0,1,0,0|2,0,0]=4 19530 B15R1.16078 CCOC(=O)OC(C)N1CCCCCC1 269982a_100000185865_100000036008 [0,1,0,1,0,0|2,0,0]=4 19531 B15R1.32467 CCCCOC1CC(C1)CC(=O)OCC 7a_100010742785_100000210211 [0,1,0,1,0,0|1,0,0]=3 19532 B15R1.32467 CCOC(=O)CC1CC(C1)OCCCF 7a_100010742785_100011934791 [0,1,0,1,0,0|2,0,0]=4 19533 B15R1.32467 CCOC(=O)CC1CC(C1)OCCCO 7a_100010742785_100011215043 [0,1,0,1,0,0|2,0,0]=4 19534 B15R1.32467 CCOC(=O)CC1CC(C1)OCCOC 7a_100010742785_100000233755 [0,1,0,1,0,0|2,0,0]=4 19535 B15R1.32467 CCOC(=O)CC1CC(C1)OCCSC 7a_100010742785_100000212216 [0,1,0,1,0,0|2,0,0]=4 19536 B15R1.22 CCCCCCCN1CCNC(=O)C1C 2230a_100000750721_100000210681 [0,1,0,1,0,0|2,0,0]=4 19537 B15R1.22 CCCCCCCN1CCNC(=O)C1C 269982a_100000750721_100000210681 [0,1,0,1,0,0|2,0,0]=4 19538 B15R1.22 CCCCCCCN1CCNC(=O)C1C 34a_100000750721_100000210614 [0,1,0,1,0,0|2,0,0]=4 19539 B15R1.220 CCCCCCCNC1CCCNC1=O 2230a_100000229938_100000687798 [0,1,0,1,0,0|2,0,0]=4 19540 B15R1.220 CCCCCCCNC1CCCNC1=O 2230a_100000747585_100000210681 [0,1,0,1,0,0|2,0,0]=4 19541 B15R1.220 CCCCCCCNC1CCCNC1=O 34a_100000747585_100000210614 [0,1,0,1,0,0|2,0,0]=4 19542 B15R1.220 CCCCCCCOC1CCCCC1=O 34a_100000210272_100000754470 [0,1,0,1,0,0|2,0,0]=4 19543 B15R1.220 CCCCCCCOC1CCCCC1=O 34a_100011214950_100000210614 [0,1,0,1,0,0|2,0,0]=4 19544 B15R1.220 CCCCCCCOC1CCCCC1=O 7a_100000210272_100000204591 [0,1,0,1,0,0|2,0,0]=4 19545 B15R1.220 CCCCCCCOC1CCCNC1=O 34a_100000073722_100000210614 [0,1,0,1,0,0|2,0,0]=4 19546 B15R1.220 CCCCCCCOC1CCCNC1=O 34a_100000210272_100000687798 [0,1,0,1,0,0|2,0,0]=4 19547 B15R1.220 CCCCCCCOC1CCCNC1=O 7a_100000210272_100000687798 [0,1,0,1,0,0|2,0,0]=4 19548 B15R1.220 CCCCCCCOC1COCCC1=O 34a_100000210272_100012180262 [0,1,0,1,0,0|2,0,0]=4 19549 B15R1.220 CCCCCCCOC1COCCC1=O 7a_100000210272_100012180262 [0,1,0,1,0,0|2,0,0]=4 19550 B15R1.220 CCCCCCCSC1CCCCC1=O 62a_100000204591_100000210316 [0,1,0,1,0,0|2,0,0]=4 19551 B15R1.220 CCCCCCCSC1CCCCC1=O 62a_100000210614_100000204591 [0,1,0,1,0,0|2,0,0]=4 19552 B15R1.220 CCCCCCCSC1CCCNC1=O 62a_100000210614_100000687798 [0,1,0,1,0,0|2,0,0]=4 19553 B15R1.220 CCCCCCCSC1CCCNC1=O 62a_100000687798_100000210316 [0,1,0,1,0,0|2,0,0]=4 19554 B15R1.220 CCCCCCCSC1COCCC1=O 62a_100000210614_100012180262 [0,1,0,1,0,0|2,0,0]=4 19555 B15R1.220 CCCCCCCSC1COCCC1=O 62a_100012180262_100000210316 [0,1,0,1,0,0|2,0,0]=4 19556 B15R1.220 CCCCCCOCC1CCCCC1=O 34a_100009861125_100000210314 [0,1,0,1,0,0|2,0,0]=4 19557 B15R1.220 CCCCCCOCC1CCCCC1=O 7a_100009861125_100000210314 [0,1,0,1,0,0|2,0,0]=4 19558 B15R1.220 CCCCCOCCC1NCCNC1=O 34a_100000044719_100000718602 [0,1,0,1,0,0|2,0,0]=4 19559 B15R1.826 C=C(CNC1CCCCC1)C(=O)OCC 34a_100000182618_100000755967 [0,1,0,1,0,0|1,0,1]=4 19560 B15R1.826 C=C(COC1CCCCC1)C(=O)OCC 34a_100000210231_100000755967 [0,1,0,1,0,0|1,0,1]=4 19561 B15R1.826 C=C(COC1CCCCC1)C(=O)OCC 7a_100000210231_100000755967 [0,1,0,1,0,0|1,0,1]=4 19562 B15R1.826 C=C(CSC1CCCCC1)C(=O)OCC 62a_100000210327_100000755967 [0,1,0,1,0,0|1,0,1]=4 19563 B15R1.826 C=C(CSC1CCCCC1)C(=O)OCC 62a_100000755967_100000210327 [0,1,0,1,0,0|1,0,1]=4 19564 B15R1.826 CCNC(=O)C(=O)CCC1CCCCC1 1458a_200011297158_100011273959 [0,1,0,1,0,0|1,0,1]=4 19565 B15R1.826 CCNC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100000230173 [0,1,0,1,0,0|2,0,0]=4 19566 B15R1.826 CCNC(=O)C(C)NCC1CCCCC1 2230a_100000736553_100000211423 [0,1,0,1,0,0|2,0,0]=4 19567 B15R1.826 CCNC(=O)C(C)NCC1CCCCC1 34a_100000210473_100000230173 [0,1,0,1,0,0|2,0,0]=4 19568 B15R1.826 CCNC(=O)C(C)NCC1CCCCC1 34a_100000736553_100000211423 [0,1,0,1,0,0|2,0,0]=4 19569 B15R1.826 CCNC(=O)C(C)OCC1CCCCC1 34a_100000212181_100000230173 [0,1,0,1,0,0|2,0,0]=4 19570 B15R1.826 CCNC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000230173 [0,1,0,1,0,0|2,0,0]=4 19571 B15R1.826 CCNC(=O)C(C)SCC1CCCCC1 62a_100000211423_100000230173 [0,1,0,1,0,0|2,0,0]=4 19572 B15R1.826 CCNC(=O)C(C)SCC1CCCCC1 62a_100000230173_100000211423 [0,1,0,1,0,0|2,0,0]=4 19573 B15R1.826 CCOC(=O)C(=O)CSC1CCCCC1 62a_100000210327_100000211299 [0,1,0,1,0,0|1,0,1]=4 19574 B15R1.826 CCOC(=O)C(=O)CSC1CCCCC1 62a_100000211299_100000210327 [0,1,0,1,0,0|1,0,1]=4 19575 B15R1.826 CCOC(=O)C(=O)NCC1CCCCC1 11a_100000210473_100014798877 [0,1,0,1,0,0|1,0,1]=4 19576 B15R1.826 CCOC(=O)C(=O)NCC1CCCCC1 1626a_100000210473_100014798877 [0,1,0,1,0,0|1,0,1]=4 19577 B15R1.826 CCOC(=O)C(=O)NCC1CCCCC1 240690a_100000210473_100014798877 [0,1,0,1,0,0|1,0,1]=4 19578 B15R1.826 CCOC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100011215307 [0,1,0,1,0,0|1,0,0]=3 19579 B15R1.826 CCOC(=O)C(C)NCC1CCCCC1 34a_100000210473_100011216346 [0,1,0,1,0,0|1,0,0]=3 19580 B15R1.826 CCOC(=O)C(C)NCC1CCCCO1 2230a_100000174945_100011215307 [0,1,0,1,0,0|2,0,0]=4 19581 B15R1.826 CCOC(=O)C(C)NCC1CCCCO1 34a_100000174945_100011216346 [0,1,0,1,0,0|2,0,0]=4 19582 B15R1.826 CCOC(=O)C(C)NCC1CCCOC1 2230a_100000720124_100011215307 [0,1,0,1,0,0|2,0,0]=4 19583 B15R1.826 CCOC(=O)C(C)NCC1CCCOC1 34a_100000720124_100011216346 [0,1,0,1,0,0|2,0,0]=4 19584 B15R1.826 CCOC(=O)C(C)NCC1CCOCC1 2230a_100000746373_100011215307 [0,1,0,1,0,0|2,0,0]=4 19585 B15R1.826 CCOC(=O)C(C)NCC1CCOCC1 34a_100000746373_100011216346 [0,1,0,1,0,0|2,0,0]=4 19586 B15R1.826 CCOC(=O)C(C)NCC1CCSCC1 2230a_100015188806_100011215307 [0,1,0,1,0,0|2,0,0]=4 19587 B15R1.826 CCOC(=O)C(C)NCC1CCSCC1 34a_100015188806_100011216346 [0,1,0,1,0,0|2,0,0]=4 19588 B15R1.826 CCOC(=O)C(C)OCC1CCCCC1 34a_100000212181_100011216346 [0,1,0,1,0,0|1,0,0]=3 19589 B15R1.826 CCOC(=O)C(C)OCC1CCCCC1 7a_100000212181_100011216346 [0,1,0,1,0,0|1,0,0]=3 19590 B15R1.826 CCOC(=O)C(C)OCC1CCCCN1 34a_100000210821_100011216346 [0,1,0,1,0,0|2,0,0]=4 19591 B15R1.826 CCOC(=O)C(C)OCC1CCCCO1 34a_100000211370_100011216346 [0,1,0,1,0,0|2,0,0]=4 19592 B15R1.826 CCOC(=O)C(C)OCC1CCCCO1 7a_100000211370_100011216346 [0,1,0,1,0,0|2,0,0]=4 19593 B15R1.826 CCOC(=O)C(C)OCC1CCCNC1 34a_100000211344_100011216346 [0,1,0,1,0,0|2,0,0]=4 19594 B15R1.826 CCOC(=O)C(C)OCC1CCCOC1 34a_100000741520_100011216346 [0,1,0,1,0,0|2,0,0]=4 19595 B15R1.826 CCOC(=O)C(C)OCC1CCNCC1 34a_100000738675_100011216346 [0,1,0,1,0,0|2,0,0]=4 19596 B15R1.826 CCOC(=O)C(C)OCC1CCOCC1 34a_100000749013_100011216346 [0,1,0,1,0,0|2,0,0]=4 19597 B15R1.826 CCOC(=O)C(C)OCC1CCSCC1 34a_100000070558_100011216346 [0,1,0,1,0,0|2,0,0]=4 19598 B15R1.826 CCOC(=O)C(C)OCC1CCSCC1 7a_100000070558_100011216346 [0,1,0,1,0,0|2,0,0]=4 19599 B15R1.826 CCOC(=O)C(C)SCC1CCCCC1 62a_100000211423_100011216346 [0,1,0,1,0,0|1,0,0]=3 19600 B15R1.826 CCOC(=O)C(C)SCC1CCCCC1 62a_100011216346_100000211423 [0,1,0,1,0,0|1,0,0]=3 19601 B15R1.826 CCOC(=O)C(C)SCC1CCCCO1 62a_100000211543_100011216346 [0,1,0,1,0,0|2,0,0]=4 19602 B15R1.826 CCOC(=O)C(C)SCC1CCCCO1 62a_100011216346_100000211543 [0,1,0,1,0,0|2,0,0]=4 19603 B15R1.826 CCOC(=O)C(C)SCC1CCCOC1 62a_100000741521_100011216346 [0,1,0,1,0,0|2,0,0]=4 19604 B15R1.826 CCOC(=O)C(C)SCC1CCCOC1 62a_100011216346_100000741521 [0,1,0,1,0,0|2,0,0]=4 19605 B15R1.826 CCOC(=O)C(C)SCC1CCOCC1 62a_100000754603_100011216346 [0,1,0,1,0,0|2,0,0]=4 19606 B15R1.826 CCOC(=O)C(C)SCC1CCOCC1 62a_100011216346_100000749018 [0,1,0,1,0,0|2,0,0]=4 19607 B15R1.826 CCOC(=O)C(F)NCC1CCCCC1 2230a_100000210473_100000760018 [0,1,0,1,0,0|1,0,0]=3 19608 B15R1.826 CCOC(=O)C(F)NCC1CCCCC1 34a_100000210473_100000760018 [0,1,0,1,0,0|1,0,0]=3 19609 B15R1.826 CCOC(=O)C(F)NCC1CCCCO1 2230a_100000174945_100000760018 [0,1,0,1,0,0|2,0,0]=4 19610 B15R1.826 CCOC(=O)C(F)NCC1CCCCO1 34a_100000174945_100000760018 [0,1,0,1,0,0|2,0,0]=4 19611 B15R1.826 CCOC(=O)C(F)NCC1CCCOC1 2230a_100000720124_100000760018 [0,1,0,1,0,0|2,0,0]=4 19612 B15R1.826 CCOC(=O)C(F)NCC1CCCOC1 34a_100000720124_100000760018 [0,1,0,1,0,0|2,0,0]=4 19613 B15R1.826 CCOC(=O)C(F)NCC1CCOCC1 2230a_100000746373_100000760018 [0,1,0,1,0,0|2,0,0]=4 19614 B15R1.826 CCOC(=O)C(F)NCC1CCOCC1 34a_100000746373_100000760018 [0,1,0,1,0,0|2,0,0]=4 19615 B15R1.826 CCOC(=O)C(F)NCC1CCSCC1 2230a_100015188806_100000760018 [0,1,0,1,0,0|2,0,0]=4 19616 B15R1.826 CCOC(=O)C(F)NCC1CCSCC1 34a_100015188806_100000760018 [0,1,0,1,0,0|2,0,0]=4 19617 B15R1.826 CCOC(=O)C(F)OCC1CCCCC1 34a_100000212181_100000760018 [0,1,0,1,0,0|1,0,0]=3 19618 B15R1.826 CCOC(=O)C(F)OCC1CCCCC1 7a_100000212181_100000040065 [0,1,0,1,0,0|1,0,0]=3 19619 B15R1.826 CCOC(=O)C(F)OCC1CCCCN1 34a_100000210821_100000760018 [0,1,0,1,0,0|2,0,0]=4 19620 B15R1.826 CCOC(=O)C(F)OCC1CCCCO1 34a_100000211370_100000760018 [0,1,0,1,0,0|2,0,0]=4 19621 B15R1.826 CCOC(=O)C(F)OCC1CCCCO1 7a_100000211370_100000040065 [0,1,0,1,0,0|2,0,0]=4 19622 B15R1.826 CCOC(=O)C(F)OCC1CCCNC1 34a_100000211344_100000760018 [0,1,0,1,0,0|2,0,0]=4 19623 B15R1.826 CCOC(=O)C(F)OCC1CCCOC1 34a_100000741520_100000760018 [0,1,0,1,0,0|2,0,0]=4 19624 B15R1.826 CCOC(=O)C(F)OCC1CCNCC1 34a_100000738675_100000760018 [0,1,0,1,0,0|2,0,0]=4 19625 B15R1.826 CCOC(=O)C(F)OCC1CCOCC1 34a_100000749013_100000760018 [0,1,0,1,0,0|2,0,0]=4 19626 B15R1.826 CCOC(=O)C(F)OCC1CCSCC1 34a_100000070558_100000760018 [0,1,0,1,0,0|2,0,0]=4 19627 B15R1.826 CCOC(=O)C(F)OCC1CCSCC1 7a_100000070558_100000040065 [0,1,0,1,0,0|2,0,0]=4 19628 B15R1.826 CCOC(=O)C(F)SCC1CCCCC1 62a_100000211423_100000760018 [0,1,0,1,0,0|1,0,0]=3 19629 B15R1.826 CCOC(=O)C(F)SCC1CCCCC1 62a_100000760018_100000211423 [0,1,0,1,0,0|1,0,0]=3 19630 B15R1.826 CCOC(=O)C(F)SCC1CCCCO1 62a_100000211543_100000760018 [0,1,0,1,0,0|2,0,0]=4 19631 B15R1.826 CCOC(=O)C(F)SCC1CCCCO1 62a_100000760018_100000211543 [0,1,0,1,0,0|2,0,0]=4 19632 B15R1.826 CCOC(=O)C(F)SCC1CCCOC1 62a_100000741521_100000760018 [0,1,0,1,0,0|2,0,0]=4 19633 B15R1.826 CCOC(=O)C(F)SCC1CCCOC1 62a_100000760018_100000741521 [0,1,0,1,0,0|2,0,0]=4 19634 B15R1.826 CCOC(=O)C(F)SCC1CCOCC1 62a_100000754603_100000760018 [0,1,0,1,0,0|2,0,0]=4 19635 B15R1.826 CCOC(=O)C(F)SCC1CCOCC1 62a_100000760018_100000749018 [0,1,0,1,0,0|2,0,0]=4 19636 B15R1.826 CCOC(=O)[C@H](C)OCC1CCCCC1 7a_100000751109_100000211423 [0,1,0,1,0,0|1,0,0]=3 19637 B15R1.826 CCOC(=O)[C@H](C)OCC1CCCCO1 7a_100000751109_100000211543 [0,1,0,1,0,0|2,0,0]=4 19638 B15R1.826 CCOC(=O)[C@H](C)OCC1CCCOC1 7a_100000751109_100000741521 [0,1,0,1,0,0|2,0,0]=4 19639 B15R1.826 CCOC(=O)[C@H](C)OCC1CCOCC1 7a_100000751109_100000754603 [0,1,0,1,0,0|2,0,0]=4 19640 B15R1.826 CCSC(=O)[C@H](C)NCC1CCCCC1 2230a_100103168634_100000211423 [0,1,0,1,0,0|1,1,0]=4 19641 B15R1.1039 CCCCN1CCC[C@@H](C1)C(=O)OCC 2230a_100000759086_100000210211 [0,1,0,1,0,0|1,0,0]=3 19642 B15R1.1039 CCCCN1CCC[C@@H](C1)C(=O)OCC 269982a_100000759086_100000210211 [0,1,0,1,0,0|1,0,0]=3 19643 B15R1.1039 CCCCN1CCOC(C1)C(=O)OCC 2230a_100016995033_100000210211 [0,1,0,1,0,0|2,0,0]=4 19644 B15R1.1039 CCCCN1CCOC(C1)C(=O)OCC 269982a_100016995033_100000210211 [0,1,0,1,0,0|2,0,0]=4 19645 B15R1.1039 CCCNC1CCOC(C1)C(=O)OCC 270004a_100020643023_100010274582 [0,1,0,1,0,0|2,0,0]=4 19646 B15R1.1039 CCCOC1CCCC(C1)C(=O)OCC 7a_100011934014_100000210303 [0,1,0,1,0,0|1,0,0]=3 19647 B15R1.1039 CCOC(=O)C1CCCC(C1)OCCF 7a_100011934014_100011217306 [0,1,0,1,0,0|2,0,0]=4 19648 B15R1.1039 CCOC(=O)C1CCCC(C1)OCCO 7a_100011934014_100000211926 [0,1,0,1,0,0|2,0,0]=4 19649 B15R1.1039 CCOC(=O)[C@H]1CCCN(C1)CCCF 2230a_100000759086_100011934791 [0,1,0,1,0,0|2,0,0]=4 19650 B15R1.1039 CCOC(=O)[C@H]1CCCN(C1)CCCF 269982a_100000759086_100011934791 [0,1,0,1,0,0|2,0,0]=4 19651 B15R1.1039 CCOC(=O)[C@H]1CCCN(C1)CCCO 2230a_100000759086_100000230001 [0,1,0,1,0,0|2,0,0]=4 19652 B15R1.1039 CCOC(=O)[C@H]1CCCN(C1)CCCO 269982a_100000759086_100011215043 [0,1,0,1,0,0|2,0,0]=4 19653 B15R1.1039 CCOC(=O)[C@H]1CCCN(C1)CCOC 2230a_100000759086_100011201679 [0,1,0,1,0,0|2,0,0]=4 19654 B15R1.1039 CCOC(=O)[C@H]1CCCN(C1)CCOC 269982a_100000759086_100000233755 [0,1,0,1,0,0|2,0,0]=4 19655 B15R1.1039 CCOC(=O)[C@H]1CCCN(C1)CCSC 2230a_100000759086_100000751147 [0,1,0,1,0,0|2,0,0]=4 19656 B15R1.1039 CCOC(=O)[C@H]1CCCN(C1)CCSC 269982a_100000759086_100000212216 [0,1,0,1,0,0|2,0,0]=4 19657 B15R1.1039 CCOCN1CCC[C@@H](C1)C(=O)OCC 269982a_100000759086_100000739092 [0,1,0,1,0,0|2,0,0]=4 19658 B15R1.1167 CCCCCN1CCC(C1)C(=O)OCC 2230a_100016987290_100000210326 [0,1,0,1,0,0|1,0,0]=3 19659 B15R1.1167 CCCCCN1CCC(C1)C(=O)OCC 269982a_100016987290_100000210215 [0,1,0,1,0,0|1,0,0]=3 19660 B15R1.1167 CCCCNC1CCC(C1)C(=O)OCC 270004a_100000102301_100000077466 [0,1,0,1,0,0|1,0,0]=3 19661 B15R1.1167 CCOC(=O)C1CCC(C1)NCCCF 270004a_100015189416_100000077466 [0,1,0,1,0,0|2,0,0]=4 19662 B15R1.1167 CCOC(=O)C1CCC(C1)NCCCO 270004a_100000182051_100000077466 [0,1,0,1,0,0|2,0,0]=4 19663 B15R1.1167 CCOC(=O)C1CCC(C1)NCCOC 270004a_100000209980_100000077466 [0,1,0,1,0,0|2,0,0]=4 19664 B15R1.1167 CCOC(=O)C1CCC(C1)NCCSC 270004a_100020590264_100000077466 [0,1,0,1,0,0|2,0,0]=4 19665 B15R1.1167 CCOC(=O)C1CCN(C1)CCCCF 2230a_100016987290_100000729493 [0,1,0,1,0,0|2,0,0]=4 19666 B15R1.1167 CCOC(=O)C1CCN(C1)CCCCF 269982a_100016987290_100000729493 [0,1,0,1,0,0|2,0,0]=4 19667 B15R1.1167 CCOC(=O)C1CCN(C1)CCCCO 2230a_100016987290_100000210776 [0,1,0,1,0,0|2,0,0]=4 19668 B15R1.1167 CCOC(=O)C1CCN(C1)CCCCO 269982a_100016987290_100000210776 [0,1,0,1,0,0|2,0,0]=4 19669 B15R1.1167 CCOC(=O)C1CCN(C1)CCCOC 2230a_100016987290_100000740836 [0,1,0,1,0,0|2,0,0]=4 19670 B15R1.1167 CCOC(=O)C1CCN(C1)CCCOC 269982a_100016987290_100000740836 [0,1,0,1,0,0|2,0,0]=4 19671 B15R1.1167 CCOC(=O)C1CCN(C1)CCSCC 2230a_100016987290_100000757381 [0,1,0,1,0,0|2,0,0]=4 19672 B15R1.1167 CCOC(=O)C1CCN(C1)CCSCC 269982a_100016987290_100000757381 [0,1,0,1,0,0|2,0,0]=4 19673 B15R1.1167 CCOCCN1CCC(C1)C(=O)OCC 2230a_100016987290_100011215890 [0,1,0,1,0,0|2,0,0]=4 19674 B15R1.1167 CCOCCN1CCC(C1)C(=O)OCC 269982a_100016987290_100011215890 [0,1,0,1,0,0|2,0,0]=4 19675 B15R1.2152 CCCCCCCCN(C)C(=O)C1CC1 11a_100000207567_100000210395 [0,1,0,1,0,0|2,0,0]=4 19676 B15R1.2152 CCCCCCCCN(C)C(=O)C1CC1 1626a_100000207567_100000210395 [0,1,0,1,0,0|2,0,0]=4 19677 B15R1.2152 CCCCCCCCN(C)C(=O)C1CC1 240690a_100000207567_100000210395 [0,1,0,1,0,0|2,0,0]=4 19678 B15R1.2152 CCCCCCCCN(C)C(=O)C1CC1 527a_100000207567_100000210395 [0,1,0,1,0,0|2,0,0]=4 19679 B15R1.3934 C=C(CN1CCCC1CC)C(=O)OCC 269982a_100000754278_100000755967 [0,1,0,1,0,0|1,0,1]=4 19680 B15R1.3934 C=C(CN1CCCC1CC)C(=O)OCC 34a_100000754278_100000755967 [0,1,0,1,0,0|1,0,1]=4 19681 B15R1.3934 CCNC(=O)C(C)NC1CCCC1CC 270004a_100000736553_100000749056 [0,1,0,1,0,0|2,0,0]=4 19682 B15R1.3934 CCOC(=O)C(=O)CN1CCCC1CC 269982a_100000754278_100000211299 [0,1,0,1,0,0|1,0,1]=4 19683 B15R1.3935 C=C(COC1CCCC1C)C(=O)OCC 34a_100011216460_100000755967 [0,1,0,1,0,0|1,0,1]=4 19684 B15R1.3935 C=C(COC1CCCC1C)C(=O)OCC 7a_100011216460_100000755967 [0,1,0,1,0,0|1,0,1]=4 19685 B15R1.3935 CCOC(=O)C(C)OCC1CCCN1C 34a_100000743107_100011216346 [0,1,0,1,0,0|2,0,0]=4 19686 B15R1.3935 CCOC(=O)C(F)OCC1CCCN1C 34a_100000743107_100000760018 [0,1,0,1,0,0|2,0,0]=4 19687 B15R1.3954 CCNC(=O)C(C)N1CCCCC1CC 2230a_100000210034_100000230173 [0,1,0,1,0,0|2,0,0]=4 19688 B15R1.3954 CCNC(=O)C(C)N1CCCCC1CC 269982a_100000210034_100000230173 [0,1,0,1,0,0|2,0,0]=4 19689 B15R1.3954 CCNC(=O)C(C)N1CCCCC1CC 34a_100000210034_100000230173 [0,1,0,1,0,0|2,0,0]=4 19690 B15R1.3954 CCOC(=O)C(=O)N1CCCCC1CC 11a_100000210034_100014798877 [0,1,0,1,0,0|1,0,1]=4 19691 B15R1.3954 CCOC(=O)C(=O)N1CCCCC1CC 1626a_100000210034_100014798877 [0,1,0,1,0,0|1,0,1]=4 19692 B15R1.3954 CCOC(=O)C(=O)N1CCCCC1CC 240690a_100000210034_100014798877 [0,1,0,1,0,0|1,0,1]=4 19693 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CC 2230a_100000210034_100011215307 [0,1,0,1,0,0|1,0,0]=3 19694 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CC 269982a_100000210034_100011216346 [0,1,0,1,0,0|1,0,0]=3 19695 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CC 34a_100000210034_100011216346 [0,1,0,1,0,0|1,0,0]=3 19696 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CO 2230a_100000210821_100011215307 [0,1,0,1,0,0|2,0,0]=4 19697 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CO 269982a_100000210821_100011216346 [0,1,0,1,0,0|2,0,0]=4 19698 B15R1.3954 CCOC(=O)C(C)N1CCCCC1CO 34a_100000210821_100011216346 [0,1,0,1,0,0|2,0,0]=4 19699 B15R1.3954 CCOC(=O)C(C)N1CCOC[C@@H]1CC 2230a_100016988097_100011215307 [0,1,0,1,0,0|2,0,0]=4 19700 B15R1.3954 CCOC(=O)C(C)N1CCOC[C@@H]1CC 269982a_100016988097_100011216346 [0,1,0,1,0,0|2,0,0]=4 19701 B15R1.3954 CCOC(=O)C(C)N1CCOC[C@@H]1CC 34a_100016988097_100011216346 [0,1,0,1,0,0|2,0,0]=4 19702 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CC 2230a_100000210034_100000760018 [0,1,0,1,0,0|1,0,0]=3 19703 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CC 269982a_100000210034_100000760018 [0,1,0,1,0,0|1,0,0]=3 19704 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CC 34a_100000210034_100000760018 [0,1,0,1,0,0|1,0,0]=3 19705 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CO 2230a_100000210821_100000760018 [0,1,0,1,0,0|2,0,0]=4 19706 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CO 269982a_100000210821_100000760018 [0,1,0,1,0,0|2,0,0]=4 19707 B15R1.3954 CCOC(=O)C(F)N1CCCCC1CO 34a_100000210821_100000760018 [0,1,0,1,0,0|2,0,0]=4 19708 B15R1.3954 CCOC(=O)C(F)N1CCOC[C@@H]1CC 2230a_100016988097_100000760018 [0,1,0,1,0,0|2,0,0]=4 19709 B15R1.3954 CCOC(=O)C(F)N1CCOC[C@@H]1CC 269982a_100016988097_100000760018 [0,1,0,1,0,0|2,0,0]=4 19710 B15R1.3954 CCOC(=O)C(F)N1CCOC[C@@H]1CC 34a_100016988097_100000760018 [0,1,0,1,0,0|2,0,0]=4 19711 B15R1.3960 C=C(CN1CCCCC1C)C(=O)OCC 269982a_100000211376_100000755967 [0,1,0,1,0,0|1,0,1]=4 19712 B15R1.3960 C=C(CN1CCCCC1C)C(=O)OCC 34a_100000211376_100000755967 [0,1,0,1,0,0|1,0,1]=4 19713 B15R1.3960 CCNC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100000230173 [0,1,0,1,0,0|2,0,0]=4 19714 B15R1.3960 CCNC(=O)C(C)NC1CCCCC1C 270004a_100000736553_100000210921 [0,1,0,1,0,0|2,0,0]=4 19715 B15R1.3960 CCNC(=O)C(C)NC1CCCCC1C 34a_100000211402_100000230173 [0,1,0,1,0,0|2,0,0]=4 19716 B15R1.3960 CCNC(=O)C(C)OC1CCCCC1C 34a_100000211207_100000230173 [0,1,0,1,0,0|2,0,0]=4 19717 B15R1.3960 CCNC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000230173 [0,1,0,1,0,0|2,0,0]=4 19718 B15R1.3960 CCOC(=O)C(=O)CN1CCCCC1C 269982a_100000211376_100000211299 [0,1,0,1,0,0|1,0,1]=4 19719 B15R1.3960 CCOC(=O)C(=O)NC1CCCCC1C 11a_100000211402_100014798877 [0,1,0,1,0,0|1,0,1]=4 19720 B15R1.3960 CCOC(=O)C(=O)NC1CCCCC1C 1626a_100000211402_100014798877 [0,1,0,1,0,0|1,0,1]=4 19721 B15R1.3960 CCOC(=O)C(=O)NC1CCCCC1C 240690a_100000211402_100014798877 [0,1,0,1,0,0|1,0,1]=4 19722 B15R1.3960 CCOC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100011215307 [0,1,0,1,0,0|1,0,0]=3 19723 B15R1.3960 CCOC(=O)C(C)NC1CCCCC1C 34a_100000211402_100011216346 [0,1,0,1,0,0|1,0,0]=3 19724 B15R1.3960 CCOC(=O)C(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011215307 [0,1,0,1,0,0|2,0,0]=4 19725 B15R1.3960 CCOC(=O)C(C)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100011216346 [0,1,0,1,0,0|2,0,0]=4 19726 B15R1.3960 CCOC(=O)C(C)OC1CCCCC1C 34a_100000211207_100011216346 [0,1,0,1,0,0|1,0,0]=3 19727 B15R1.3960 CCOC(=O)C(C)OC1CCCCC1C 7a_100000211207_100011216346 [0,1,0,1,0,0|1,0,0]=3 19728 B15R1.3960 CCOC(=O)C(C)OC1CCCCC1Cl 34a_100000038908_100011216346 [0,1,0,1,0,0|2,0,0]=4 19729 B15R1.3960 CCOC(=O)C(C)OC1CCCCC1Cl 7a_100000038908_100011216346 [0,1,0,1,0,0|2,0,0]=4 19730 B15R1.3960 CCOC(=O)C(C)OC1CCNCC1C 34a_100011998114_100011216346 [0,1,0,1,0,0|2,0,0]=4 19731 B15R1.3960 CCOC(=O)C(C)OC1CNCCC1C 34a_100000696640_100011216346 [0,1,0,1,0,0|2,0,0]=4 19732 B15R1.3960 CCOC(=O)C(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100011216346 [0,1,0,1,0,0|2,0,0]=4 19733 B15R1.3960 CCOC(=O)C(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100011216346 [0,1,0,1,0,0|2,0,0]=4 19734 B15R1.3960 CCOC(=O)C(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100011216346 [0,1,0,1,0,0|2,0,0]=4 19735 B15R1.3960 CCOC(=O)C(C)SC1CCCCC1F 62a_100011216346_100015423560 [0,1,0,1,0,0|2,0,0]=4 19736 B15R1.3960 CCOC(=O)C(C)SC1CCCCC1F 62a_100015423560_100011216346 [0,1,0,1,0,0|2,0,0]=4 19737 B15R1.3960 CCOC(=O)C(C)SC1CCCCC1O 62a_100000038908_100011216346 [0,1,0,1,0,0|2,0,0]=4 19738 B15R1.3960 CCOC(=O)C(C)SC1CCCCC1O 62a_100011216346_100000038908 [0,1,0,1,0,0|2,0,0]=4 19739 B15R1.3960 CCOC(=O)C(F)NC1CCCCC1C 2230a_100000211402_100000760018 [0,1,0,1,0,0|1,0,0]=3 19740 B15R1.3960 CCOC(=O)C(F)NC1CCCCC1C 34a_100000211402_100000760018 [0,1,0,1,0,0|1,0,0]=3 19741 B15R1.3960 CCOC(=O)C(F)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000760018 [0,1,0,1,0,0|2,0,0]=4 19742 B15R1.3960 CCOC(=O)C(F)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100000760018 [0,1,0,1,0,0|2,0,0]=4 19743 B15R1.3960 CCOC(=O)C(F)OC1CCCCC1C 34a_100000211207_100000760018 [0,1,0,1,0,0|1,0,0]=3 19744 B15R1.3960 CCOC(=O)C(F)OC1CCCCC1C 7a_100000211207_100000040065 [0,1,0,1,0,0|1,0,0]=3 19745 B15R1.3960 CCOC(=O)C(F)OC1CCCCC1Cl 34a_100000038908_100000760018 [0,1,0,1,0,0|2,0,0]=4 19746 B15R1.3960 CCOC(=O)C(F)OC1CCCCC1Cl 7a_100000038908_100000040065 [0,1,0,1,0,0|2,0,0]=4 19747 B15R1.3960 CCOC(=O)C(F)OC1CCNCC1C 34a_100011998114_100000760018 [0,1,0,1,0,0|2,0,0]=4 19748 B15R1.3960 CCOC(=O)C(F)OC1CNCCC1C 34a_100000696640_100000760018 [0,1,0,1,0,0|2,0,0]=4 19749 B15R1.3960 CCOC(=O)C(F)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100000760018 [0,1,0,1,0,0|2,0,0]=4 19750 B15R1.3960 CCOC(=O)C(F)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000040065 [0,1,0,1,0,0|2,0,0]=4 19751 B15R1.3960 CCOC(=O)C(F)O[C@H]1CCCC[C@H]1N 34a_100015191688_100000760018 [0,1,0,1,0,0|2,0,0]=4 19752 B15R1.3960 CCOC(=O)C(F)SC1CCCCC1F 62a_100000760018_100015423560 [0,1,0,1,0,0|2,0,0]=4 19753 B15R1.3960 CCOC(=O)C(F)SC1CCCCC1F 62a_100015423560_100000760018 [0,1,0,1,0,0|2,0,0]=4 19754 B15R1.3960 CCOC(=O)C(F)SC1CCCCC1O 62a_100000038908_100000760018 [0,1,0,1,0,0|2,0,0]=4 19755 B15R1.3960 CCOC(=O)C(F)SC1CCCCC1O 62a_100000760018_100000038908 [0,1,0,1,0,0|2,0,0]=4 19756 B15R1.5365 CC1CC(C(=O)O1)NCCCCCCO 2230a_100000686447_200000216747 [0,1,0,1,0,0|2,0,0]=4 19757 B15R1.5365 CC1CC(C(=O)O1)NCCCCCCO 34a_100000686447_200000216747 [0,1,0,1,0,0|2,0,0]=4 19758 B15R1.5365 CC1CC(C(=O)O1)OCCCCCCBr 34a_100011215345_200000216747 [0,1,0,1,0,0|2,0,0]=4 19759 B15R1.5365 CC1CC(C(=O)O1)OCCCCCCBr 7a_100011215345_200000216747 [0,1,0,1,0,0|2,0,0]=4 19760 B15R1.5365 CC1CC(C(=O)O1)OCCCCCCCl 34a_100000766143_200000216747 [0,1,0,1,0,0|2,0,0]=4 19761 B15R1.5365 CC1CC(C(=O)O1)OCCCCCCCl 7a_100000766143_200000216747 [0,1,0,1,0,0|2,0,0]=4 19762 B15R1.5365 CC1CC(C(=O)O1)OCCCCCCF 34a_100000732779_200000216747 [0,1,0,1,0,0|2,0,0]=4 19763 B15R1.5365 CC1CC(C(=O)O1)OCCCCCCF 7a_100000732779_200000216747 [0,1,0,1,0,0|2,0,0]=4 19764 B15R1.5365 CC1CC(C(=O)O1)OCCCCCCN 34a_100000686447_200000216747 [0,1,0,1,0,0|2,0,0]=4 19765 B15R1.5365 CC1CC(C(=O)O1)SCCCCCCF 62a_100015922095_200000216747 [0,1,0,1,0,0|2,0,0]=4 19766 B15R1.5365 CC1CC(C(=O)O1)SCCCCCCF 62a_200000216747_100015922095 [0,1,0,1,0,0|2,0,0]=4 19767 B15R1.5365 CC1CC(C(=O)O1)SCCCCCCO 62a_100000766143_200000216747 [0,1,0,1,0,0|2,0,0]=4 19768 B15R1.5365 CC1CC(C(=O)O1)SCCCCCCO 62a_200000216747_100000766143 [0,1,0,1,0,0|2,0,0]=4 19769 B15R1.5365 CCCCCCCNC1CC(OC1=O)C 2230a_100000229938_200000216747 [0,1,0,1,0,0|1,0,0]=3 19770 B15R1.5365 CCCCCCCOC1CC(OC1=O)C 34a_100000210272_200000216747 [0,1,0,1,0,0|1,0,0]=3 19771 B15R1.5365 CCCCCCCOC1CC(OC1=O)C 7a_100000210272_200000216747 [0,1,0,1,0,0|1,0,0]=3 19772 B15R1.5365 CCCCCCCSC1CC(OC1=O)C 62a_100000210614_200000216747 [0,1,0,1,0,0|1,0,0]=3 19773 B15R1.5365 CCCCCCCSC1CC(OC1=O)C 62a_200000216747_100000210316 [0,1,0,1,0,0|1,0,0]=3 19774 B15R1.5365 CCCCOCCOC1CC(OC1=O)C 34a_100000210238_200000216747 [0,1,0,1,0,0|2,0,0]=4 19775 B15R1.5365 CCCCOCCOC1CC(OC1=O)C 7a_100000210238_200000216747 [0,1,0,1,0,0|2,0,0]=4 19776 B15R1.5365 CCCCOCCSC1CC(OC1=O)C 62a_100000743108_200000216747 [0,1,0,1,0,0|2,0,0]=4 19777 B15R1.5365 CCCCOCCSC1CC(OC1=O)C 62a_200000216747_100000743108 [0,1,0,1,0,0|2,0,0]=4 19778 B15R1.5365 CCCCSCCNC1CC(OC1=O)C 2230a_100025743550_200000216747 [0,1,0,1,0,0|2,0,0]=4 19779 B15R1.5365 CCCCSCCOC1CC(OC1=O)C 34a_200000230436_200000216747 [0,1,0,1,0,0|2,0,0]=4 19780 B15R1.5365 CCCCSCCOC1CC(OC1=O)C 7a_200000230436_200000216747 [0,1,0,1,0,0|2,0,0]=4 19781 B15R1.5365 CCCOCCCNC1CC(OC1=O)C 2230a_100011217757_200000216747 [0,1,0,1,0,0|2,0,0]=4 19782 B15R1.5365 CCCOCCCNC1CC(OC1=O)C 34a_100011217757_200000216747 [0,1,0,1,0,0|2,0,0]=4 19783 B15R1.5365 CNCCCCCOC1CC(OC1=O)C 34a_100000722520_200000216747 [0,1,0,1,0,0|2,0,0]=4 19784 B15R1.5365 COCCCCCNC1CC(OC1=O)C 2230a_100000747528_200000216747 [0,1,0,1,0,0|2,0,0]=4 19785 B15R1.5365 COCCCCCNC1CC(OC1=O)C 34a_100000747528_200000216747 [0,1,0,1,0,0|2,0,0]=4 19786 B15R1.5564 CCCCCCN1CC(C1)C(=O)OCC 269982a_100015188541_100000210757 [0,1,0,1,0,0|1,0,0]=3 19787 B15R1.5564 CCCCCOC1CC(C1)C(=O)OCC 7a_100000093532_100000210326 [0,1,0,1,0,0|1,0,0]=3 19788 B15R1.5564 CCCCOCN1CC(C1)C(=O)OCC 269982a_100015188541_100011995733 [0,1,0,1,0,0|2,0,0]=4 19789 B15R1.5564 CCCOCCN1CC(C1)C(=O)OCC 269982a_100015188541_100011215938 [0,1,0,1,0,0|2,0,0]=4 19790 B15R1.5564 CCOC(=O)C1CC(C1)OCCCCF 7a_100000093532_100000729493 [0,1,0,1,0,0|2,0,0]=4 19791 B15R1.5564 CCOC(=O)C1CC(C1)OCCCCO 7a_100000093532_100000210776 [0,1,0,1,0,0|2,0,0]=4 19792 B15R1.5564 CCOC(=O)C1CC(C1)OCCCOC 7a_100000093532_100000740836 [0,1,0,1,0,0|2,0,0]=4 19793 B15R1.5564 CCOC(=O)C1CC(C1)OCCSCC 7a_100000093532_100000757381 [0,1,0,1,0,0|2,0,0]=4 19794 B15R1.5564 CCOC(=O)C1CN(C1)CCCCCF 269982a_100015188541_100000729378 [0,1,0,1,0,0|2,0,0]=4 19795 B15R1.5564 CCOC(=O)C1CN(C1)CCCCCO 269982a_100015188541_100000746330 [0,1,0,1,0,0|2,0,0]=4 19796 B15R1.5564 CCOC(=O)C1CN(C1)CCCCOC 269982a_100015188541_100000730899 [0,1,0,1,0,0|2,0,0]=4 19797 B15R1.5564 CCOCCCN1CC(C1)C(=O)OCC 269982a_100015188541_100012232248 [0,1,0,1,0,0|2,0,0]=4 19798 B15R1.5564 CCOCCOC1CC(C1)C(=O)OCC 7a_100000093532_100011215890 [0,1,0,1,0,0|2,0,0]=4 19799 B15R1.9676 CCOC(=O)C(C)N1CCC[C@H]1COC 2230a_100020646714_100011215307 [0,1,0,1,0,0|2,0,0]=4 19800 B15R1.9676 CCOC(=O)C(C)N1CCC[C@H]1COC 269982a_100020646714_100011216346 [0,1,0,1,0,0|2,0,0]=4 19801 B15R1.9676 CCOC(=O)C(C)N1CCC[C@H]1COC 34a_100020646714_100011216346 [0,1,0,1,0,0|2,0,0]=4 19802 B15R1.9676 CCOC(=O)C(F)N1CCC[C@H]1COC 2230a_100020646714_100000760018 [0,1,0,1,0,0|2,0,0]=4 19803 B15R1.9676 CCOC(=O)C(F)N1CCC[C@H]1COC 269982a_100020646714_100000760018 [0,1,0,1,0,0|2,0,0]=4 19804 B15R1.9676 CCOC(=O)C(F)N1CCC[C@H]1COC 34a_100020646714_100000760018 [0,1,0,1,0,0|2,0,0]=4 19805 B15R1.9921 C=C(CNCC1CCCC1)C(=O)OCC 34a_100000737975_100000755967 [0,1,0,1,0,0|1,0,1]=4 19806 B15R1.9921 C=C(COCC1CCCC1)C(=O)OCC 34a_100000742336_100000755967 [0,1,0,1,0,0|1,0,1]=4 19807 B15R1.9921 C=C(COCC1CCCC1)C(=O)OCC 7a_100000742336_100000755967 [0,1,0,1,0,0|1,0,1]=4 19808 B15R1.9921 C=C(CSCC1CCCC1)C(=O)OCC 62a_100000740388_100000755967 [0,1,0,1,0,0|1,0,1]=4 19809 B15R1.9921 C=C(CSCC1CCCC1)C(=O)OCC 62a_100000755967_100000740388 [0,1,0,1,0,0|1,0,1]=4 19810 B15R1.9921 CCCC(=O)N(C)CCCC1CCCC1 11a_100015186261_100000211992 [0,1,0,1,0,0|2,0,0]=4 19811 B15R1.9921 CCCC(=O)N(C)CCCC1CCCC1 1626a_100015186261_100000211992 [0,1,0,1,0,0|2,0,0]=4 19812 B15R1.9921 CCCC(=O)N(C)CCCC1CCCC1 240690a_100015186261_100000211992 [0,1,0,1,0,0|2,0,0]=4 19813 B15R1.9921 CCCC(=O)N(C)CCCC1CCCC1 527a_100015186261_100000211992 [0,1,0,1,0,0|2,0,0]=4 19814 B15R1.9921 CCNC(=O)C(=O)CCCC1CCCC1 1458a_200011297158_100011713738 [0,1,0,1,0,0|1,0,1]=4 19815 B15R1.9921 CCNC(=O)C(C)NCCC1CCCC1 2230a_100000736553_100000760354 [0,1,0,1,0,0|2,0,0]=4 19816 B15R1.9921 CCNC(=O)C(C)NCCC1CCCC1 2230a_100000739158_100000230173 [0,1,0,1,0,0|2,0,0]=4 19817 B15R1.9921 CCNC(=O)C(C)NCCC1CCCC1 34a_100000736553_100000760354 [0,1,0,1,0,0|2,0,0]=4 19818 B15R1.9921 CCNC(=O)C(C)NCCC1CCCC1 34a_100000739158_100000230173 [0,1,0,1,0,0|2,0,0]=4 19819 B15R1.9921 CCNC(=O)C(C)OCCC1CCCC1 34a_100000749090_100000230173 [0,1,0,1,0,0|2,0,0]=4 19820 B15R1.9921 CCNC(=O)C(C)OCCC1CCCC1 7a_100000749090_100000230173 [0,1,0,1,0,0|2,0,0]=4 19821 B15R1.9921 CCNC(=O)C(C)SCCC1CCCC1 62a_100000230173_100000760354 [0,1,0,1,0,0|2,0,0]=4 19822 B15R1.9921 CCNC(=O)C(C)SCCC1CCCC1 62a_100000760354_100000230173 [0,1,0,1,0,0|2,0,0]=4 19823 B15R1.9921 CCNC(=O)N(C)CCCC1CCCC1 2708a_100015525214_100015186261 [0,1,0,1,0,0|2,0,0]=4 19824 B15R1.9921 CCNC(=O)N(C)CCCC1CCCC1 273464a_100015525214_100015186261 [0,1,0,1,0,0|2,0,0]=4 19825 B15R1.9921 CCOC(=O)C(=O)CSCC1CCCC1 62a_100000211299_100000740388 [0,1,0,1,0,0|1,0,1]=4 19826 B15R1.9921 CCOC(=O)C(=O)CSCC1CCCC1 62a_100000740388_100000211299 [0,1,0,1,0,0|1,0,1]=4 19827 B15R1.9921 CCOC(=O)C(=O)NCCC1CCCC1 11a_100000739158_100014798877 [0,1,0,1,0,0|1,0,1]=4 19828 B15R1.9921 CCOC(=O)C(=O)NCCC1CCCC1 1626a_100000739158_100014798877 [0,1,0,1,0,0|1,0,1]=4 19829 B15R1.9921 CCOC(=O)C(=O)NCCC1CCCC1 240690a_100000739158_100014798877 [0,1,0,1,0,0|1,0,1]=4 19830 B15R1.9921 CCOC(=O)C(C)NCCC1CCCC1 2230a_100000739158_100011215307 [0,1,0,1,0,0|1,0,0]=3 19831 B15R1.9921 CCOC(=O)C(C)NCCC1CCCC1 34a_100000739158_100011216346 [0,1,0,1,0,0|1,0,0]=3 19832 B15R1.9921 CCOC(=O)C(C)OCCC1CCCC1 34a_100000749090_100011216346 [0,1,0,1,0,0|1,0,0]=3 19833 B15R1.9921 CCOC(=O)C(C)OCCC1CCCC1 7a_100000749090_100011216346 [0,1,0,1,0,0|1,0,0]=3 19834 B15R1.9921 CCOC(=O)C(C)OCCC1CCNC1 34a_100016987287_100011216346 [0,1,0,1,0,0|2,0,0]=4 19835 B15R1.9921 CCOC(=O)C(C)OCCC1CCOC1 34a_100011879284_100011216346 [0,1,0,1,0,0|2,0,0]=4 19836 B15R1.9921 CCOC(=O)C(C)SCCC1CCCC1 62a_100000760354_100011216346 [0,1,0,1,0,0|1,0,0]=3 19837 B15R1.9921 CCOC(=O)C(C)SCCC1CCCC1 62a_100011216346_100000760354 [0,1,0,1,0,0|1,0,0]=3 19838 B15R1.9921 CCOC(=O)C(C)SCCN1CCCC1 62a_100000700749_100011216346 [0,1,0,1,0,0|2,0,0]=4 19839 B15R1.9921 CCOC(=O)C(C)SCCN1CCCC1 62a_100011216346_100000004467 [0,1,0,1,0,0|2,0,0]=4 19840 B15R1.9921 CCOC(=O)C(F)NCCC1CCCC1 2230a_100000739158_100000760018 [0,1,0,1,0,0|1,0,0]=3 19841 B15R1.9921 CCOC(=O)C(F)NCCC1CCCC1 34a_100000739158_100000760018 [0,1,0,1,0,0|1,0,0]=3 19842 B15R1.9921 CCOC(=O)C(F)OCCC1CCCC1 34a_100000749090_100000760018 [0,1,0,1,0,0|1,0,0]=3 19843 B15R1.9921 CCOC(=O)C(F)OCCC1CCCC1 7a_100000749090_100000040065 [0,1,0,1,0,0|1,0,0]=3 19844 B15R1.9921 CCOC(=O)C(F)OCCC1CCNC1 34a_100016987287_100000760018 [0,1,0,1,0,0|2,0,0]=4 19845 B15R1.9921 CCOC(=O)C(F)OCCC1CCOC1 34a_100011879284_100000760018 [0,1,0,1,0,0|2,0,0]=4 19846 B15R1.9921 CCOC(=O)C(F)SCCC1CCCC1 62a_100000760018_100000760354 [0,1,0,1,0,0|1,0,0]=3 19847 B15R1.9921 CCOC(=O)C(F)SCCC1CCCC1 62a_100000760354_100000760018 [0,1,0,1,0,0|1,0,0]=3 19848 B15R1.9921 CCOC(=O)C(F)SCCN1CCCC1 62a_100000700749_100000760018 [0,1,0,1,0,0|2,0,0]=4 19849 B15R1.9921 CCOC(=O)C(F)SCCN1CCCC1 62a_100000760018_100000004467 [0,1,0,1,0,0|2,0,0]=4 19850 B15R1.9921 CCOC(=O)[C@H](C)OCCC1CCCC1 7a_100000751109_100000760354 [0,1,0,1,0,0|1,0,0]=3 19851 B15R1.9921 CCOC(=O)[C@H](C)OCCN1CCCC1 7a_100000751109_100000004467 [0,1,0,1,0,0|2,0,0]=4 19852 B15R1.9921 CCSC(=O)[C@H](C)NCCC1CCCC1 2230a_100103168634_100000760354 [0,1,0,1,0,0|1,1,0]=4 19853 B15R1.16791 CCNC(=O)C(C)N1CCCCCCC1 2230a_100000211400_100000230173 [0,1,0,1,0,0|2,0,0]=4 19854 B15R1.16791 CCNC(=O)C(C)N1CCCCCCC1 269982a_100000211400_100000230173 [0,1,0,1,0,0|2,0,0]=4 19855 B15R1.16791 CCNC(=O)C(C)N1CCCCCCC1 34a_100000211400_100000230173 [0,1,0,1,0,0|2,0,0]=4 19856 B15R1.16791 CCOC(=O)C(=O)N1CCCCCCC1 11a_100000211400_100014798877 [0,1,0,1,0,0|1,0,1]=4 19857 B15R1.16791 CCOC(=O)C(=O)N1CCCCCCC1 1626a_100000211400_100014798877 [0,1,0,1,0,0|1,0,1]=4 19858 B15R1.16791 CCOC(=O)C(=O)N1CCCCCCC1 240690a_100000211400_100014798877 [0,1,0,1,0,0|1,0,1]=4 19859 B15R1.16791 CCOC(=O)C(C)N1CCCCCCC1 2230a_100000211400_100011215307 [0,1,0,1,0,0|1,0,0]=3 19860 B15R1.16791 CCOC(=O)C(C)N1CCCCCCC1 269982a_100000211400_100011216346 [0,1,0,1,0,0|1,0,0]=3 19861 B15R1.16791 CCOC(=O)C(C)N1CCCCCCC1 34a_100000211400_100011216346 [0,1,0,1,0,0|1,0,0]=3 19862 B15R1.16791 CCOC(=O)C(F)N1CCCCCCC1 2230a_100000211400_100000760018 [0,1,0,1,0,0|1,0,0]=3 19863 B15R1.16791 CCOC(=O)C(F)N1CCCCCCC1 269982a_100000211400_100000760018 [0,1,0,1,0,0|1,0,0]=3 19864 B15R1.16791 CCOC(=O)C(F)N1CCCCCCC1 34a_100000211400_100000760018 [0,1,0,1,0,0|1,0,0]=3 19865 B15R1.16898 C=C(CN1CCCCCC1)C(=O)OCC 269982a_100000185865_100000755967 [0,1,0,1,0,0|1,0,1]=4 19866 B15R1.16898 C=C(CN1CCCCCC1)C(=O)OCC 34a_100000185865_100000755967 [0,1,0,1,0,0|1,0,1]=4 19867 B15R1.16898 CCNC(=O)C(=O)CC1CCCCCC1 1458a_200011297158_200000696569 [0,1,0,1,0,0|1,0,1]=4 19868 B15R1.16898 CCNC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100000230173 [0,1,0,1,0,0|2,0,0]=4 19869 B15R1.16898 CCNC(=O)C(C)NC1CCCCCC1 270004a_100000736553_100000210131 [0,1,0,1,0,0|2,0,0]=4 19870 B15R1.16898 CCNC(=O)C(C)NC1CCCCCC1 34a_100000210984_100000230173 [0,1,0,1,0,0|2,0,0]=4 19871 B15R1.16898 CCNC(=O)C(C)NC1CCCCCC1 34a_100000736553_100011217769 [0,1,0,1,0,0|2,0,0]=4 19872 B15R1.16898 CCNC(=O)C(C)OC1CCCCCC1 34a_100000210887_100000230173 [0,1,0,1,0,0|2,0,0]=4 19873 B15R1.16898 CCNC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000230173 [0,1,0,1,0,0|2,0,0]=4 19874 B15R1.16898 CCNC(=O)C(C)SC1CCCCCC1 62a_100000230173_100011217769 [0,1,0,1,0,0|2,0,0]=4 19875 B15R1.16898 CCNC(=O)C(C)SC1CCCCCC1 62a_100011217769_100000230173 [0,1,0,1,0,0|2,0,0]=4 19876 B15R1.16898 CCOC(=O)C(=O)CN1CCCCCC1 269982a_100000185865_100000211299 [0,1,0,1,0,0|1,0,1]=4 19877 B15R1.16898 CCOC(=O)C(=O)NC1CCCCCC1 11a_100000210984_100014798877 [0,1,0,1,0,0|1,0,1]=4 19878 B15R1.16898 CCOC(=O)C(=O)NC1CCCCCC1 1626a_100000210984_100014798877 [0,1,0,1,0,0|1,0,1]=4 19879 B15R1.16898 CCOC(=O)C(=O)NC1CCCCCC1 240690a_100000210984_100014798877 [0,1,0,1,0,0|1,0,1]=4 19880 B15R1.16898 CCOC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100011215307 [0,1,0,1,0,0|1,0,0]=3 19881 B15R1.16898 CCOC(=O)C(C)NC1CCCCCC1 34a_100000210984_100011216346 [0,1,0,1,0,0|1,0,0]=3 19882 B15R1.16898 CCOC(=O)C(C)OC1CCCCCC1 34a_100000210887_100011216346 [0,1,0,1,0,0|1,0,0]=3 19883 B15R1.16898 CCOC(=O)C(C)OC1CCCCCC1 7a_100000210887_100011216346 [0,1,0,1,0,0|1,0,0]=3 19884 B15R1.16898 CCOC(=O)C(C)SC1CCCCCC1 62a_100011216346_100011217769 [0,1,0,1,0,0|1,0,0]=3 19885 B15R1.16898 CCOC(=O)C(C)SC1CCCCCC1 62a_100011217769_100011216346 [0,1,0,1,0,0|1,0,0]=3 19886 B15R1.16898 CCOC(=O)C(F)NC1CCCCCC1 2230a_100000210984_100000760018 [0,1,0,1,0,0|1,0,0]=3 19887 B15R1.16898 CCOC(=O)C(F)NC1CCCCCC1 34a_100000210984_100000760018 [0,1,0,1,0,0|1,0,0]=3 19888 B15R1.16898 CCOC(=O)C(F)OC1CCCCCC1 34a_100000210887_100000760018 [0,1,0,1,0,0|1,0,0]=3 19889 B15R1.16898 CCOC(=O)C(F)OC1CCCCCC1 7a_100000210887_100000040065 [0,1,0,1,0,0|1,0,0]=3 19890 B15R1.16898 CCOC(=O)C(F)SC1CCCCCC1 62a_100000760018_100011217769 [0,1,0,1,0,0|1,0,0]=3 19891 B15R1.16898 CCOC(=O)C(F)SC1CCCCCC1 62a_100011217769_100000760018 [0,1,0,1,0,0|1,0,0]=3 19892 B15R1.34 CCCCCCCCCc1nc(no1)C 270196a_100000212224_100000210558 [0,1,0,1,0,0|1,0,1]=4 19893 B15R1.34 CCCCCCCCCc1noc(n1)C 270196a_100011215059_100000070787 [0,1,0,1,0,0|1,0,1]=4 19894 B15R1.35 CCCCCCCCCN1CCCOC1 2230a_100000131196_100011214924 [0,1,0,1,0,0|2,0,0]=4 19895 B15R1.35 CCCCCCCCCN1CCCOC1 269982a_100000131196_100000210670 [0,1,0,1,0,0|2,0,0]=4 19896 B15R1.35 CCCCCCCCCN1CCCOC1 34a_100000131196_100011214924 [0,1,0,1,0,0|2,0,0]=4 19897 B15R1.3515 C#CCCCCCCOC1CCOC1=O 34a_100011217361_100000211211 [0,1,0,1,0,0|0,0,2]=4 19898 B15R1.3515 C#CCCCCCCOC1CCOC1=O 7a_100011217361_100000211211 [0,1,0,1,0,0|0,0,2]=4 19899 B15R1.3515 C#CCCCCCCSC1CCOC1=O 62a_100000211211_100012276617 [0,1,0,1,0,0|0,0,2]=4 19900 B15R1.3515 C#CCCCCCCSC1CCOC1=O 62a_100012276617_100000211211 [0,1,0,1,0,0|0,0,2]=4 19901 B15R1.3515 C=CCCCCCCOC1CCOC1=O 34a_200011216477_100000211211 [0,1,0,1,0,0|0,0,2]=4 19902 B15R1.3515 C=CCCCCCCOC1CCOC1=O 7a_200011216477_100000211211 [0,1,0,1,0,0|0,0,2]=4 19903 B15R1.3515 C=CCCCCCCSC1CCOC1=O 62a_100000211211_100011215473 [0,1,0,1,0,0|0,0,2]=4 19904 B15R1.3515 C=CCCCCCCSC1CCOC1=O 62a_100011215473_100000211211 [0,1,0,1,0,0|0,0,2]=4 19905 B15R1.3515 CC/C=C\CCCCOC1CCOC1=O 34a_100016287862_100000211211 [0,1,0,1,0,0|0,0,2]=4 19906 B15R1.3515 CC/C=C\CCCCOC1CCOC1=O 7a_100016287862_100000211211 [0,1,0,1,0,0|0,0,2]=4 19907 B15R1.3515 CCCC/C=C\CCOC1CCOC1=O 34a_200016286491_100000211211 [0,1,0,1,0,0|0,0,2]=4 19908 B15R1.3515 CCCC/C=C\CCOC1CCOC1=O 7a_200016286491_100000211211 [0,1,0,1,0,0|0,0,2]=4 19909 B15R1.3515 CCCCC#CCCOC1CCOC1=O 34a_100000037610_100000211211 [0,1,0,1,0,0|0,0,2]=4 19910 B15R1.3515 CCCCC#CCCOC1CCOC1=O 7a_100000037610_100000211211 [0,1,0,1,0,0|0,0,2]=4 19911 B15R1.3515 CCCCC/C=C/COC1CCOC1=O 34a_100016258190_100000211211 [0,1,0,1,0,0|0,0,2]=4 19912 B15R1.3515 CCCCC/C=C/COC1CCOC1=O 7a_100016258190_100000211211 [0,1,0,1,0,0|0,0,2]=4 19913 B15R1.3515 CCCCCC#CCOC1CCOC1=O 34a_200000033628_100000211211 [0,1,0,1,0,0|0,0,2]=4 19914 B15R1.3515 CCCCCC#CCOC1CCOC1=O 7a_200000033628_100000211211 [0,1,0,1,0,0|0,0,2]=4 19915 B15R1.3515 CCCCCC#CCSC1CCOC1=O 62a_100000211211_100009816472 [0,1,0,1,0,0|0,0,2]=4 19916 B15R1.3515 CCCCCC#CCSC1CCOC1=O 62a_100009816472_100000211211 [0,1,0,1,0,0|0,0,2]=4 19917 B15R1.3515 CCCCCCCCNC1CCCC1=O 2230a_100000229939_100000211823 [0,1,0,1,0,0|1,0,0]=3 19918 B15R1.3515 CCCCCCCCNC1CCCC1=O 34a_100000229939_100000709159 [0,1,0,1,0,0|1,0,0]=3 19919 B15R1.3515 CCCCCCCCNC1CCNC1=O 2230a_100016995588_100000210759 [0,1,0,1,0,0|1,0,0]=3 19920 B15R1.3515 CCCCCCCCNC1CCNC1=O 34a_100016995588_100000210759 [0,1,0,1,0,0|1,0,0]=3 19921 B15R1.3515 CCCCCCCCNC1CCOC1=O 2230a_100000229939_100000211211 [0,1,0,1,0,0|0,0,0]=2 19922 B15R1.3515 CCCCCCCCNC1CCOC1=O 34a_100000229939_100000211211 [0,1,0,1,0,0|0,0,0]=2 19923 B15R1.3515 CCCCCCCCNC1CCOC1C 270004a_100000229939_100000691750 [0,1,0,1,0,0|1,0,1]=4 19924 B15R1.3515 CCCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210759 [0,1,0,1,0,0|2,0,0]=4 19925 B15R1.3515 CCCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100000210759 [0,1,0,1,0,0|2,0,0]=4 19926 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_100000210232_100000709159 [0,1,0,1,0,0|1,0,0]=3 19927 B15R1.3515 CCCCCCCCOC1CCCC1=O 34a_200000719330_100000210759 [0,1,0,1,0,0|1,0,0]=3 19928 B15R1.3515 CCCCCCCCOC1CCCC1=O 7a_100000210232_100000211823 [0,1,0,1,0,0|1,0,0]=3 19929 B15R1.3515 CCCCCCCCOC1CCOC1=O 34a_100000210232_100000211211 [0,1,0,1,0,0|0,0,0]=2 19930 B15R1.3515 CCCCCCCCOC1CCOC1=O 7a_100000210232_100000211211 [0,1,0,1,0,0|0,0,0]=2 19931 B15R1.3515 CCCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210759 [0,1,0,1,0,0|1,0,0]=3 19932 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000210759_100000211823 [0,1,0,1,0,0|1,0,0]=3 19933 B15R1.3515 CCCCCCCCSC1CCCC1=O 62a_100000211823_100000210317 [0,1,0,1,0,0|1,0,0]=3 19934 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000210759_100000211211 [0,1,0,1,0,0|0,0,0]=2 19935 B15R1.3515 CCCCCCCCSC1CCOC1=O 62a_100000211211_100000210317 [0,1,0,1,0,0|0,0,0]=2 19936 B15R1.3515 CCCCCCCOCC1=CCCC1=O 34a_100000087531_100000210614 [0,1,0,1,0,0|2,0,0]=4 19937 B15R1.3515 CCCCCCCOCC1CCNC1=O 34a_100000133458_100000210614 [0,1,0,1,0,0|1,0,0]=3 19938 B15R1.3515 CCCCCCCSCN1CCCC1=O 62a_100000026320_100000210316 [0,1,0,1,0,0|2,0,0]=4 19939 B15R1.3515 CCCCCCCSCN1CCCC1=O 62a_100000210614_100000026320 [0,1,0,1,0,0|2,0,0]=4 19940 B15R1.3515 CCCCCCNCCN1CCCC1=O 2230a_100000210581_100000739059 [0,1,0,1,0,0|2,0,0]=4 19941 B15R1.3515 CCCCCCNCCN1CCCC1=O 2230a_100011200922_100000210314 [0,1,0,1,0,0|2,0,0]=4 19942 B15R1.3515 CCCCCCNCCN1CCNC1=O 2230a_100000210581_100000090651 [0,1,0,1,0,0|2,0,0]=4 19943 B15R1.3515 CCCCCCNCCN1CCNC1=O 2230a_100011207550_100000210314 [0,1,0,1,0,0|2,0,0]=4 19944 B15R1.3515 CCCCCCOCCN1CCCC1=O 34a_100000210259_100000739059 [0,1,0,1,0,0|2,0,0]=4 19945 B15R1.3515 CCCCCCOCCN1CCCC1=O 34a_100000211209_100000210314 [0,1,0,1,0,0|2,0,0]=4 19946 B15R1.3515 CCCCCCOCCN1CCCC1=O 7a_100000210259_100000739059 [0,1,0,1,0,0|2,0,0]=4 19947 B15R1.3515 CCCCCCOCCN1CCCC1=O 7a_100000211209_100000210314 [0,1,0,1,0,0|2,0,0]=4 19948 B15R1.3515 CCCCCCOCCN1CCNC1=O 34a_100000216532_100000210314 [0,1,0,1,0,0|2,0,0]=4 19949 B15R1.3515 CCCCCCOCCN1CCNC1=O 7a_100000210259_100000090651 [0,1,0,1,0,0|2,0,0]=4 19950 B15R1.3515 CCCCCCSCCN1CCCC1=O 62a_100000210314_100000739059 [0,1,0,1,0,0|2,0,0]=4 19951 B15R1.3515 CCCCCCSCCN1CCCC1=O 62a_100000739059_100000210757 [0,1,0,1,0,0|2,0,0]=4 19952 B15R1.3515 CCCCCCSCCN1CCNC1=O 62a_100000090651_100000210757 [0,1,0,1,0,0|2,0,0]=4 19953 B15R1.3515 CCCCCCSCCN1CCNC1=O 62a_100000210314_100000090651 [0,1,0,1,0,0|2,0,0]=4 19954 B15R1.3515 CCCCCNCCCN1CCCC1=O 2230a_100000210347_100000210326 [0,1,0,1,0,0|2,0,0]=4 19955 B15R1.3515 CCCCCNCCCN1CCCC1=O 34a_100000210347_100000718602 [0,1,0,1,0,0|2,0,0]=4 19956 B15R1.3515 CCCCCNCCOC1CCCC1=O 34a_100000224656_100000709159 [0,1,0,1,0,0|2,0,0]=4 19957 B15R1.3515 CCCCCNCCOC1CCOC1=O 34a_100000224656_100000211211 [0,1,0,1,0,0|1,0,0]=3 19958 B15R1.3515 CCCCCOCCCN1CCCC1=O 34a_100011216539_100000718602 [0,1,0,1,0,0|2,0,0]=4 19959 B15R1.3515 CCCCCOCCCN1CCCC1=O 7a_100011216539_100000210326 [0,1,0,1,0,0|2,0,0]=4 19960 B15R1.3515 CCCCCOCCOC1CCCC1=O 34a_100011215259_100000709159 [0,1,0,1,0,0|2,0,0]=4 19961 B15R1.3515 CCCCCOCCOC1CCCC1=O 7a_100011215259_100000211823 [0,1,0,1,0,0|2,0,0]=4 19962 B15R1.3515 CCCCCOCCOC1CCOC1=O 34a_100011215259_100000211211 [0,1,0,1,0,0|1,0,0]=3 19963 B15R1.3515 CCCCCOCCOC1CCOC1=O 7a_100011215259_100000211211 [0,1,0,1,0,0|1,0,0]=3 19964 B15R1.3515 CCCCOCCCNC1CCCC1=O 2230a_200000211371_100000211823 [0,1,0,1,0,0|2,0,0]=4 19965 B15R1.3515 CCCCOCCCNC1CCCC1=O 34a_200000211371_100000709159 [0,1,0,1,0,0|2,0,0]=4 19966 B15R1.3515 CCCCOCCCNC1CCOC1=O 2230a_200000211371_100000211211 [0,1,0,1,0,0|1,0,0]=3 19967 B15R1.3515 CCCCOCCCNC1CCOC1=O 34a_200000211371_100000211211 [0,1,0,1,0,0|1,0,0]=3 19968 B15R1.3515 CCCCOCCCOC1CCCC1=O 34a_200011215613_100000709159 [0,1,0,1,0,0|2,0,0]=4 19969 B15R1.3515 CCCCOCCCOC1CCCC1=O 7a_200011215613_100000211823 [0,1,0,1,0,0|2,0,0]=4 19970 B15R1.3515 CCCCOCCCOC1CCOC1=O 34a_200011215613_100000211211 [0,1,0,1,0,0|1,0,0]=3 19971 B15R1.3515 CCCCOCCCOC1CCOC1=O 7a_200011215613_100000211211 [0,1,0,1,0,0|1,0,0]=3 19972 B15R1.3515 CCCCOCCOCC1CCNC1=O 34a_100000133458_100000743108 [0,1,0,1,0,0|2,0,0]=4 19973 B15R1.3515 CCOCCOCCNC1CCOC1=O 2230a_100102712874_100000211211 [0,1,0,1,0,0|2,0,0]=4 19974 B15R1.3515 CCOCCOCCNC1CCOC1=O 34a_100102712874_100000211211 [0,1,0,1,0,0|2,0,0]=4 19975 B15R1.3515 CCOCCOCCOC1CCOC1=O 34a_100000210240_100000211211 [0,1,0,1,0,0|2,0,0]=4 19976 B15R1.3515 CCOCCOCCOC1CCOC1=O 7a_100000210240_100000211211 [0,1,0,1,0,0|2,0,0]=4 19977 B15R1.3515 CCOCCOCCSC1CCOC1=O 62a_100000211211_100011211534 [0,1,0,1,0,0|2,0,0]=4 19978 B15R1.3515 CCOCCOCCSC1CCOC1=O 62a_100011211534_100000211211 [0,1,0,1,0,0|2,0,0]=4 19979 B15R1.3515 COCCCCCCNC1CCNC1=O 2230a_100016995588_100011998445 [0,1,0,1,0,0|2,0,0]=4 19980 B15R1.3515 COCCCCCCNC1CCNC1=O 34a_100016995588_100011998445 [0,1,0,1,0,0|2,0,0]=4 19981 B15R1.3515 COCCCCCCOC1CCCC1=O 34a_200000719330_100011998445 [0,1,0,1,0,0|2,0,0]=4 19982 B15R1.3515 COCCCCCCOC1CCCC1=O 34a_200012092642_100000709159 [0,1,0,1,0,0|2,0,0]=4 19983 B15R1.3515 COCCCCCCOC1CCCC1=O 7a_200012092642_100000211823 [0,1,0,1,0,0|2,0,0]=4 19984 B15R1.3515 COCCCCCCOC1CCOC1=O 34a_200012092642_100000211211 [0,1,0,1,0,0|1,0,0]=3 19985 B15R1.3515 COCCCCCCOC1CCOC1=O 7a_200012092642_100000211211 [0,1,0,1,0,0|1,0,0]=3 19986 B15R1.3515 COCCCCCCO[C@H]1CCNC1=O 34a_100000688343_100011998445 [0,1,0,1,0,0|2,0,0]=4 19987 B15R1.3515 COCCCCCCSC1CCCC1=O 62a_100000211823_100011998445 [0,1,0,1,0,0|2,0,0]=4 19988 B15R1.3515 COCCCCCCSC1CCCC1=O 62a_100011998445_100000211823 [0,1,0,1,0,0|2,0,0]=4 19989 B15R1.3515 COCCCCCCSC1CCOC1=O 62a_100000211211_100011998445 [0,1,0,1,0,0|1,0,0]=3 19990 B15R1.3515 COCCCCCCSC1CCOC1=O 62a_100011998445_100000211211 [0,1,0,1,0,0|1,0,0]=3 19991 B15R1.3515 COCCOCCCNC1CCOC1=O 2230a_100000206027_100000211211 [0,1,0,1,0,0|2,0,0]=4 19992 B15R1.3515 COCCOCCCNC1CCOC1=O 34a_100000206027_100000211211 [0,1,0,1,0,0|2,0,0]=4 19993 B15R1.3515 COCCOCCCSC1CCOC1=O 62a_100000211211_100011216529 [0,1,0,1,0,0|2,0,0]=4 19994 B15R1.3515 COCCOCCCSC1CCOC1=O 62a_100011216529_100000211211 [0,1,0,1,0,0|2,0,0]=4 19995 B15R1.3515 N#CCCCCCCSC1CCOC1=O 62a_100000211211_100009813337 [0,1,0,1,0,0|1,0,1]=4 19996 B15R1.3515 N#CCCCCCCSC1CCOC1=O 62a_100009813337_100000211211 [0,1,0,1,0,0|1,0,1]=4 19997 B15R1.3515 NCCCCCCCOC1CCCC1=O 34a_100011996573_100000709159 [0,1,0,1,0,0|2,0,0]=4 19998 B15R1.3515 NCCCCCCCOC1CCOC1=O 34a_100011996573_100000211211 [0,1,0,1,0,0|1,0,0]=3 19999 B15R1.3515 NCCCOCCCOC1CCOC1=O 34a_100011310245_100000211211 [0,1,0,1,0,0|2,0,0]=4 20000 B15R1.3515 O=C1CCCC1NCCCCCCCO 2230a_100011996573_100000211823 [0,1,0,1,0,0|2,0,0]=4 20001 B15R1.3515 O=C1CCCC1NCCCCCCCO 34a_100011996573_100000709159 [0,1,0,1,0,0|2,0,0]=4 20002 B15R1.3515 O=C1CCCC1OCCCCCCCBr 34a_100000760002_100000709159 [0,1,0,1,0,0|2,0,0]=4 20003 B15R1.3515 O=C1CCCC1OCCCCCCCBr 7a_100000760002_100000211823 [0,1,0,1,0,0|2,0,0]=4 20004 B15R1.3515 O=C1CCCC1OCCCCCCCO 34a_200000719330_100000760002 [0,1,0,1,0,0|2,0,0]=4 20005 B15R1.3515 O=C1CCCC1SCCCCCCCO 62a_100000211823_100000760002 [0,1,0,1,0,0|2,0,0]=4 20006 B15R1.3515 O=C1CCCC1SCCCCCCCO 62a_100000760002_100000211823 [0,1,0,1,0,0|2,0,0]=4 20007 B15R1.3515 O=C1NCCC1COCCCCCCF 34a_100000133458_100015922095 [0,1,0,1,0,0|2,0,0]=4 20008 B15R1.3515 O=C1NCCC1COCCCCCCO 34a_100000133458_100000766143 [0,1,0,1,0,0|2,0,0]=4 20009 B15R1.3515 O=C1NCCC1NCCCCCCCO 2230a_100016995588_100000760002 [0,1,0,1,0,0|2,0,0]=4 20010 B15R1.3515 O=C1NCCC1NCCCCCCCO 34a_100016995588_100000760002 [0,1,0,1,0,0|2,0,0]=4 20011 B15R1.3515 O=C1NCC[C@@H]1OCCCCCCCO 34a_100000688343_100000760002 [0,1,0,1,0,0|2,0,0]=4 20012 B15R1.3515 O=C1OCCC1NCCCCCCCO 2230a_100011996573_100000211211 [0,1,0,1,0,0|1,0,0]=3 20013 B15R1.3515 O=C1OCCC1NCCCCCCCO 34a_100011996573_100000211211 [0,1,0,1,0,0|1,0,0]=3 20014 B15R1.3515 O=C1OCCC1NCCCOCCCO 2230a_100011310245_100000211211 [0,1,0,1,0,0|2,0,0]=4 20015 B15R1.3515 O=C1OCCC1NCCCOCCCO 34a_100011310245_100000211211 [0,1,0,1,0,0|2,0,0]=4 20016 B15R1.3515 O=C1OCCC1OCCCCCCCBr 34a_100000760002_100000211211 [0,1,0,1,0,0|1,0,0]=3 20017 B15R1.3515 O=C1OCCC1OCCCCCCCBr 7a_100000760002_100000211211 [0,1,0,1,0,0|1,0,0]=3 20018 B15R1.3515 O=C1OCCC1SCCCCCCCO 62a_100000211211_100000760002 [0,1,0,1,0,0|1,0,0]=3 20019 B15R1.3515 O=C1OCCC1SCCCCCCCO 62a_100000760002_100000211211 [0,1,0,1,0,0|1,0,0]=3 20020 B15R1.3873 CCOC1CCCCCCCCCCC1 34a_100000211378_100000210202 [0,1,0,1,0,0|1,0,1]=4 20021 B15R1.3873 CCOC1CCCCCCCCCCC1 7a_100000211378_100000210202 [0,1,0,1,0,0|1,0,1]=4 20022 B15R1.127 CCCCC(C)OCC1CCNC(=O)C1 34a_100009886756_200011215066 [0,1,0,1,0,0|2,0,0]=4 20023 B15R1.778 C=COC(=O)CNCCC1CCCCC1 2230a_100000738074_100000036128 [0,1,0,1,0,0|0,0,2]=4 20024 B15R1.778 C=COC(=O)CNCCC1CCCCC1 34a_100000738074_100000036128 [0,1,0,1,0,0|0,0,2]=4 20025 B15R1.778 C=COC(=O)COCCC1CCCCC1 34a_100011217863_100000036128 [0,1,0,1,0,0|0,0,2]=4 20026 B15R1.778 C=COC(=O)CSCCC1CCCCC1 62a_100000036128_100012355289 [0,1,0,1,0,0|0,0,2]=4 20027 B15R1.778 C=COC(=O)CSCCC1CCCCC1 62a_100012355289_100000036128 [0,1,0,1,0,0|0,0,2]=4 20028 B15R1.778 CC=CC(=O)NCCCC1CCCCC1 11a_100011211642_100000210699 [0,1,0,1,0,0|1,0,1]=4 20029 B15R1.778 CC=CC(=O)NCCCC1CCCCC1 1626a_100011211642_100000210699 [0,1,0,1,0,0|1,0,1]=4 20030 B15R1.778 CC=CC(=O)NCCCC1CCCCC1 240690a_100011211642_100000210699 [0,1,0,1,0,0|1,0,1]=4 20031 B15R1.778 CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000210303 [0,1,0,1,0,0|1,0,0]=3 20032 B15R1.778 CCCC(=O)CCCCN1CCCCC1 1458a_100000754417_100000210303 [0,1,0,1,0,0|1,0,0]=3 20033 B15R1.778 CCCC(=O)CCCOC1CCCCO1 1458a_100000211992_100000700653 [0,1,0,1,0,0|2,0,0]=4 20034 B15R1.778 CCCC(=O)CNCCC1CCCCC1 2230a_100000738074_100000747444 [0,1,0,1,0,0|1,0,0]=3 20035 B15R1.778 CCCC(=O)CNCCC1CCCCO1 2230a_100015183643_100000747444 [0,1,0,1,0,0|2,0,0]=4 20036 B15R1.778 CCCC(=O)CNCCC1CCOCC1 2230a_100000755988_100000747444 [0,1,0,1,0,0|2,0,0]=4 20037 B15R1.778 CCCC(=O)COCCC1CCCCC1 7a_100011217863_100000747444 [0,1,0,1,0,0|1,0,0]=3 20038 B15R1.778 CCCC(=O)COCCC1CCOCC1 7a_100011933979_100000747444 [0,1,0,1,0,0|2,0,0]=4 20039 B15R1.778 CCCC(=O)CSCCC1CCCCC1 62a_100000747444_100012355289 [0,1,0,1,0,0|1,0,0]=3 20040 B15R1.778 CCCC(=O)CSCCC1CCCCC1 62a_100012355289_100000747444 [0,1,0,1,0,0|1,0,0]=3 20041 B15R1.778 CCCC(=O)CSCCC1CCOCC1 62a_100000747444_100011934994 [0,1,0,1,0,0|2,0,0]=4 20042 B15R1.778 CCCC(=O)CSCCC1CCOCC1 62a_100011934994_100000747444 [0,1,0,1,0,0|2,0,0]=4 20043 B15R1.778 CCCC(=O)CSCCN1CCCCC1 62a_100000739454_100000747444 [0,1,0,1,0,0|2,0,0]=4 20044 B15R1.778 CCCC(=O)CSCCN1CCCCC1 62a_100000747444_100000739454 [0,1,0,1,0,0|2,0,0]=4 20045 B15R1.778 CCCC(=O)CSCOC1CCCCC1 62a_100000747444_100011935260 [0,1,0,1,0,0|2,0,0]=4 20046 B15R1.778 CCCC(=O)CSCOC1CCCCC1 62a_100011935260_100000747444 [0,1,0,1,0,0|2,0,0]=4 20047 B15R1.778 CCCC(=O)NCCCC1CCCCC1 11a_100011211642_100000211992 [0,1,0,1,0,0|1,0,0]=3 20048 B15R1.778 CCCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000211992 [0,1,0,1,0,0|1,0,0]=3 20049 B15R1.778 CCCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000211992 [0,1,0,1,0,0|1,0,0]=3 20050 B15R1.778 CCCC(=O)NCCCC1CCCCC1 527a_100011211642_100000211992 [0,1,0,1,0,0|1,0,0]=3 20051 B15R1.778 CCCC(=O)NCCCN1CCCCC1 240690a_100000204581_100000211992 [0,1,0,1,0,0|2,0,0]=4 20052 B15R1.778 CCCC(=O)NCCCN1CCCCC1 527a_100000204581_100000211992 [0,1,0,1,0,0|2,0,0]=4 20053 B15R1.778 CCCC(=O)NCCOC1CCCCC1 11a_100015206981_100000211992 [0,1,0,1,0,0|2,0,0]=4 20054 B15R1.778 CCCC(=O)NCCOC1CCCCC1 1626a_100015206981_100000211992 [0,1,0,1,0,0|2,0,0]=4 20055 B15R1.778 CCCC(=O)NCCOC1CCCCC1 240690a_100015206981_100000211992 [0,1,0,1,0,0|2,0,0]=4 20056 B15R1.778 CCCC(=O)NCCOC1CCCCC1 527a_100015206981_100000211992 [0,1,0,1,0,0|2,0,0]=4 20057 B15R1.778 CCCC(=O)OCNCC1CCCCC1 2230a_100000210473_100000034017 [0,1,0,1,0,0|2,0,0]=4 20058 B15R1.778 CCCC(=O)OCNCC1CCCCC1 34a_100000210473_100000034017 [0,1,0,1,0,0|2,0,0]=4 20059 B15R1.778 CCCC(=O)OCOCC1CCCCC1 34a_100000212181_100000034017 [0,1,0,1,0,0|2,0,0]=4 20060 B15R1.778 CCCC(=O)OCSCC1CCCCC1 62a_100000211423_100000034017 [0,1,0,1,0,0|2,0,0]=4 20061 B15R1.778 CCNC(=O)CCCCC1CCCCC1 11a_100015525214_200011215547 [0,1,0,1,0,0|1,0,0]=3 20062 B15R1.778 CCNC(=O)CCCCC1CCCCC1 240690a_100015525214_200011215547 [0,1,0,1,0,0|1,0,0]=3 20063 B15R1.778 CCNC(=O)CCCCC1CCCCC1 527a_100015525214_200011215547 [0,1,0,1,0,0|1,0,0]=3 20064 B15R1.778 CCNC(=O)CCCCN1CCCCC1 11a_100015525214_100000754417 [0,1,0,1,0,0|1,0,0]=3 20065 B15R1.778 CCNC(=O)CCCCN1CCCCC1 240690a_100015525214_100000754417 [0,1,0,1,0,0|1,0,0]=3 20066 B15R1.778 CCNC(=O)CCNCC1CCCCC1 2230a_100000210473_100000737597 [0,1,0,1,0,0|1,0,0]=3 20067 B15R1.778 CCNC(=O)CCNCC1CCCCC1 269862a_100025743525_100000211278 [0,1,0,1,0,0|1,0,0]=3 20068 B15R1.778 CCNC(=O)CCNCC1CCCCC1 34a_100025743525_100000211423 [0,1,0,1,0,0|1,0,0]=3 20069 B15R1.778 CCNC(=O)CCNCC1CCCCO1 2230a_100000174945_100000737597 [0,1,0,1,0,0|2,0,0]=4 20070 B15R1.778 CCNC(=O)CCNCC1CCCCO1 34a_100025743525_100000211543 [0,1,0,1,0,0|2,0,0]=4 20071 B15R1.778 CCNC(=O)CCNCC1CCCOC1 2230a_100000720124_100000737597 [0,1,0,1,0,0|2,0,0]=4 20072 B15R1.778 CCNC(=O)CCNCC1CCCOC1 34a_100025743525_100000741521 [0,1,0,1,0,0|2,0,0]=4 20073 B15R1.778 CCNC(=O)CCNCC1CCOCC1 2230a_100000746373_100000737597 [0,1,0,1,0,0|2,0,0]=4 20074 B15R1.778 CCNC(=O)CCNCC1CCOCC1 269862a_100025743525_100000749017 [0,1,0,1,0,0|2,0,0]=4 20075 B15R1.778 CCNC(=O)CCNCC1CCOCC1 34a_100025743525_100000754603 [0,1,0,1,0,0|2,0,0]=4 20076 B15R1.778 CCNC(=O)CCNCC1CCSCC1 2230a_100015188806_100000737597 [0,1,0,1,0,0|2,0,0]=4 20077 B15R1.778 CCNC(=O)CCNCC1CCSCC1 269862a_100025743525_100000067145 [0,1,0,1,0,0|2,0,0]=4 20078 B15R1.778 CCNC(=O)CCNCC1CCSCC1 270004a_100025743525_100000067145 [0,1,0,1,0,0|2,0,0]=4 20079 B15R1.778 CCNC(=O)CCOCC1CCCCC1 7a_100000212181_100000737597 [0,1,0,1,0,0|1,0,0]=3 20080 B15R1.778 CCNC(=O)CCOCC1CCCCO1 7a_100000211370_100000737597 [0,1,0,1,0,0|2,0,0]=4 20081 B15R1.778 CCNC(=O)CCOCC1CCSCC1 7a_100000070558_100000737597 [0,1,0,1,0,0|2,0,0]=4 20082 B15R1.778 CCNC(=O)CCSCC1CCCCC1 62a_100000211423_100000737597 [0,1,0,1,0,0|1,0,0]=3 20083 B15R1.778 CCNC(=O)CCSCC1CCCCC1 62a_100000737597_100000211423 [0,1,0,1,0,0|1,0,0]=3 20084 B15R1.778 CCNC(=O)CCSCC1CCCCO1 62a_100000211543_100000737597 [0,1,0,1,0,0|2,0,0]=4 20085 B15R1.778 CCNC(=O)CCSCC1CCCCO1 62a_100000737597_100000211543 [0,1,0,1,0,0|2,0,0]=4 20086 B15R1.778 CCNC(=O)CCSCC1CCCOC1 62a_100000737597_100000741521 [0,1,0,1,0,0|2,0,0]=4 20087 B15R1.778 CCNC(=O)CCSCC1CCCOC1 62a_100000741521_100000737597 [0,1,0,1,0,0|2,0,0]=4 20088 B15R1.778 CCNC(=O)CCSCC1CCOCC1 62a_100000737597_100000749018 [0,1,0,1,0,0|2,0,0]=4 20089 B15R1.778 CCNC(=O)CCSCC1CCOCC1 62a_100000754603_100000737597 [0,1,0,1,0,0|2,0,0]=4 20090 B15R1.778 CCNC(=O)CNCCC1CCCCC1 2230a_100000738074_100000183381 [0,1,0,1,0,0|1,0,0]=3 20091 B15R1.778 CCNC(=O)CNCCC1CCCCC1 2230a_100016988866_100012355289 [0,1,0,1,0,0|1,0,0]=3 20092 B15R1.778 CCNC(=O)CNCCC1CCCCC1 270004a_100016988866_100011713444 [0,1,0,1,0,0|1,0,0]=3 20093 B15R1.778 CCNC(=O)CNCCC1CCCCC1 34a_100000738074_100000183381 [0,1,0,1,0,0|1,0,0]=3 20094 B15R1.778 CCNC(=O)CNCCC1CCCCO1 2230a_100015183643_100000183381 [0,1,0,1,0,0|2,0,0]=4 20095 B15R1.778 CCNC(=O)CNCCC1CCCCO1 34a_100015183643_100000183381 [0,1,0,1,0,0|2,0,0]=4 20096 B15R1.778 CCNC(=O)CNCCC1CCOCC1 2230a_100000755988_100000183381 [0,1,0,1,0,0|2,0,0]=4 20097 B15R1.778 CCNC(=O)CNCCC1CCOCC1 2230a_100016988866_100011934994 [0,1,0,1,0,0|2,0,0]=4 20098 B15R1.778 CCNC(=O)CNCCC1CCOCC1 34a_100000755988_100000183381 [0,1,0,1,0,0|2,0,0]=4 20099 B15R1.778 CCNC(=O)CNCCN1CCCCC1 2230a_100016988866_100000739454 [0,1,0,1,0,0|2,0,0]=4 20100 B15R1.778 CCNC(=O)CNCOC1CCCCC1 2230a_100016988866_100011935260 [0,1,0,1,0,0|2,0,0]=4 20101 B15R1.778 CCNC(=O)COCCC1CCCCC1 34a_100011217863_100000183381 [0,1,0,1,0,0|1,0,0]=3 20102 B15R1.778 CCNC(=O)COCCC1CCCCC1 7a_100011217863_100000183381 [0,1,0,1,0,0|1,0,0]=3 20103 B15R1.778 CCNC(=O)COCCC1CCCCN1 34a_100000211664_100000183381 [0,1,0,1,0,0|2,0,0]=4 20104 B15R1.778 CCNC(=O)COCCC1CCCNC1 34a_100000752241_100000183381 [0,1,0,1,0,0|2,0,0]=4 20105 B15R1.778 CCNC(=O)COCCC1CCNCC1 34a_100015190746_100000183381 [0,1,0,1,0,0|2,0,0]=4 20106 B15R1.778 CCNC(=O)COCCC1CCOCC1 34a_100011933979_100000183381 [0,1,0,1,0,0|2,0,0]=4 20107 B15R1.778 CCNC(=O)COCCC1CCOCC1 7a_100011933979_100000183381 [0,1,0,1,0,0|2,0,0]=4 20108 B15R1.778 CCNC(=O)CSCCC1CCCCC1 62a_100000183381_100012355289 [0,1,0,1,0,0|1,0,0]=3 20109 B15R1.778 CCNC(=O)CSCCC1CCCCC1 62a_100012355289_100000183381 [0,1,0,1,0,0|1,0,0]=3 20110 B15R1.778 CCNC(=O)CSCCC1CCOCC1 62a_100000183381_100011934994 [0,1,0,1,0,0|2,0,0]=4 20111 B15R1.778 CCNC(=O)CSCCC1CCOCC1 62a_100011934994_100000183381 [0,1,0,1,0,0|2,0,0]=4 20112 B15R1.778 CCNC(=O)CSCCN1CCCCC1 62a_100000183381_100000739454 [0,1,0,1,0,0|2,0,0]=4 20113 B15R1.778 CCNC(=O)CSCCN1CCCCC1 62a_100000739454_100000183381 [0,1,0,1,0,0|2,0,0]=4 20114 B15R1.778 CCNC(=O)CSCOC1CCCCC1 62a_100000183381_100011935260 [0,1,0,1,0,0|2,0,0]=4 20115 B15R1.778 CCNC(=O)CSCOC1CCCCC1 62a_100011935260_100000183381 [0,1,0,1,0,0|2,0,0]=4 20116 B15R1.778 CCNC(=O)NCCCC1CCCCC1 2708a_100011211642_100015525214 [0,1,0,1,0,0|1,0,0]=3 20117 B15R1.778 CCNC(=O)NCCCC1CCCCC1 2708a_100015525214_100011211642 [0,1,0,1,0,0|1,0,0]=3 20118 B15R1.778 CCNC(=O)NCCCC1CCCCC1 273464a_100011211642_100015525214 [0,1,0,1,0,0|1,0,0]=3 20119 B15R1.778 CCNC(=O)NCCCC1CCCCC1 273464a_100015525214_100011211642 [0,1,0,1,0,0|1,0,0]=3 20120 B15R1.778 CCNC(=O)NCCCC1CCCCC1 512a_100011211642_100015525214 [0,1,0,1,0,0|1,0,0]=3 20121 B15R1.778 CCNC(=O)NCCCC1CCCCC1 512a_100015525214_100011211642 [0,1,0,1,0,0|1,0,0]=3 20122 B15R1.778 CCNC(=O)NCCCN1CCCCC1 2708a_100000204581_100015525214 [0,1,0,1,0,0|2,0,0]=4 20123 B15R1.778 CCNC(=O)NCCCN1CCCCC1 2708a_100015525214_100000204581 [0,1,0,1,0,0|2,0,0]=4 20124 B15R1.778 CCNC(=O)NCCCN1CCCCC1 273464a_100000204581_100015525214 [0,1,0,1,0,0|2,0,0]=4 20125 B15R1.778 CCNC(=O)NCCCN1CCCCC1 273464a_100015525214_100000204581 [0,1,0,1,0,0|2,0,0]=4 20126 B15R1.778 CCNC(=O)NCCOC1CCCCC1 2708a_100015206981_100015525214 [0,1,0,1,0,0|2,0,0]=4 20127 B15R1.778 CCNC(=O)NCCOC1CCCCC1 2708a_100015525214_100015206981 [0,1,0,1,0,0|2,0,0]=4 20128 B15R1.778 CCNC(=O)NCCOC1CCCCC1 273464a_100015206981_100015525214 [0,1,0,1,0,0|2,0,0]=4 20129 B15R1.778 CCNC(=O)NCCOC1CCCCC1 273464a_100015525214_100015206981 [0,1,0,1,0,0|2,0,0]=4 20130 B15R1.778 CCNC(=O)NCCOC1CCCCC1 512a_100015206981_100015525214 [0,1,0,1,0,0|2,0,0]=4 20131 B15R1.778 CCNC(=O)NCCOC1CCCCC1 512a_100015525214_100015206981 [0,1,0,1,0,0|2,0,0]=4 20132 B15R1.778 CCOC(=O)/C=C/CNC1CCCCC1 2230a_100000182618_100016267167 [0,1,0,1,0,0|0,0,2]=4 20133 B15R1.778 CCOC(=O)/C=C/CNC1CCCCC1 34a_100000182618_100016267167 [0,1,0,1,0,0|0,0,2]=4 20134 B15R1.778 CCOC(=O)/C=C/COC1CCCCC1 34a_100000210231_100016267167 [0,1,0,1,0,0|0,0,2]=4 20135 B15R1.778 CCOC(=O)/C=C/COC1CCCCC1 7a_100000210231_100016267167 [0,1,0,1,0,0|0,0,2]=4 20136 B15R1.778 CCOC(=O)/C=C/CSC1CCCCC1 62a_100000210327_100016267167 [0,1,0,1,0,0|0,0,2]=4 20137 B15R1.778 CCOC(=O)/C=C/CSC1CCCCC1 62a_100016267167_100000210327 [0,1,0,1,0,0|0,0,2]=4 20138 B15R1.778 CCOC(=O)C=NNCC1CCCCC1 4a_100000740227_100000742314 [0,1,0,1,0,0|1,0,1]=4 20139 B15R1.778 CCOC(=O)CCCCN1CC=CCC1 2230a_100000698166_100000750268 [0,1,0,1,0,0|0,0,2]=4 20140 B15R1.778 CCOC(=O)CCCCN1CC=CCC1 269982a_100000698166_100000750268 [0,1,0,1,0,0|0,0,2]=4 20141 B15R1.778 CCOC(=O)CCCCN1CC=CCC1 34a_100000698166_100000750268 [0,1,0,1,0,0|0,0,2]=4 20142 B15R1.778 CCOC(=O)CCCCN1CCCOC1 2230a_100000131196_100000750268 [0,1,0,1,0,0|1,0,0]=3 20143 B15R1.778 CCOC(=O)CCCCN1CCCOC1 269982a_100000131196_100000750268 [0,1,0,1,0,0|1,0,0]=3 20144 B15R1.778 CCOC(=O)CCCCN1CCCOC1 34a_100000131196_100000750268 [0,1,0,1,0,0|1,0,0]=3 20145 B15R1.778 CCOC(=O)CCCCN1CCOCC1 2230a_100015191051_100000750268 [0,1,0,1,0,0|1,0,0]=3 20146 B15R1.778 CCOC(=O)CCCCN1CCOCC1 269982a_100015191051_100000750268 [0,1,0,1,0,0|1,0,0]=3 20147 B15R1.778 CCOC(=O)CCCCN1CCOCC1 34a_100015191051_100000750268 [0,1,0,1,0,0|1,0,0]=3 20148 B15R1.778 CCOC(=O)CCCCN1CCSCC1 2230a_100000737611_100000750268 [0,1,0,1,0,0|1,0,0]=3 20149 B15R1.778 CCOC(=O)CCCCN1CCSCC1 269982a_100000737611_100000750268 [0,1,0,1,0,0|1,0,0]=3 20150 B15R1.778 CCOC(=O)CCCNC1CCCCC1 2230a_100000182618_100009991533 [0,1,0,1,0,0|0,0,0]=2 20151 B15R1.778 CCOC(=O)CCCNC1CCCCC1 34a_100000182618_100009991533 [0,1,0,1,0,0|0,0,0]=2 20152 B15R1.778 CCOC(=O)CCCNC1CCCOC1 2230a_100000719290_100009991533 [0,1,0,1,0,0|1,0,0]=3 20153 B15R1.778 CCOC(=O)CCCNC1CCCOC1 34a_100000719290_100009991533 [0,1,0,1,0,0|1,0,0]=3 20154 B15R1.778 CCOC(=O)CCCNC1CCOCC1 2230a_100000741149_100009991533 [0,1,0,1,0,0|1,0,0]=3 20155 B15R1.778 CCOC(=O)CCCNC1CCOCC1 34a_100000741149_100009991533 [0,1,0,1,0,0|1,0,0]=3 20156 B15R1.778 CCOC(=O)CCCNC1CCSCC1 2230a_100000748639_100009991533 [0,1,0,1,0,0|1,0,0]=3 20157 B15R1.778 CCOC(=O)CCCNC1CCSCC1 34a_100000748639_100009991533 [0,1,0,1,0,0|1,0,0]=3 20158 B15R1.778 CCOC(=O)CCCOC1C=CCCC1 34a_100011215024_100009991533 [0,1,0,1,0,0|0,0,2]=4 20159 B15R1.778 CCOC(=O)CCCOC1C=CCCC1 7a_100012001163_100000751183 [0,1,0,1,0,0|0,0,2]=4 20160 B15R1.778 CCOC(=O)CCCOC1CC=CCC1 34a_100000073881_100009991533 [0,1,0,1,0,0|0,0,2]=4 20161 B15R1.778 CCOC(=O)CCCOC1CCCCC1 34a_100000210231_100009991533 [0,1,0,1,0,0|0,0,0]=2 20162 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100000210231_100011215271 [0,1,0,1,0,0|0,0,0]=2 20163 B15R1.778 CCOC(=O)CCCOC1CCCCC1 7a_100012001163_100000210327 [0,1,0,1,0,0|0,0,0]=2 20164 B15R1.778 CCOC(=O)CCCOC1CCCCO1 34a_100000033831_100009991533 [0,1,0,1,0,0|1,0,0]=3 20165 B15R1.778 CCOC(=O)CCCOC1CCCOC1 34a_100000754041_100009991533 [0,1,0,1,0,0|1,0,0]=3 20166 B15R1.778 CCOC(=O)CCCOC1CCCOC1 7a_100012001163_100000693364 [0,1,0,1,0,0|1,0,0]=3 20167 B15R1.778 CCOC(=O)CCCOC1CCCSC1 7a_100015962668_100011215271 [0,1,0,1,0,0|1,0,0]=3 20168 B15R1.778 CCOC(=O)CCCOC1CCOCC1 34a_100000744328_100009991533 [0,1,0,1,0,0|1,0,0]=3 20169 B15R1.778 CCOC(=O)CCCOC1CCOCC1 7a_100012001163_100000686592 [0,1,0,1,0,0|1,0,0]=3 20170 B15R1.778 CCOC(=O)CCCOC1CCSCC1 34a_100000731022_100009991533 [0,1,0,1,0,0|1,0,0]=3 20171 B15R1.778 CCOC(=O)CCCOC1CCSCC1 7a_100000731022_100011215271 [0,1,0,1,0,0|1,0,0]=3 20172 B15R1.778 CCOC(=O)CCCOC1CCSCC1 7a_100012001163_100011500858 [0,1,0,1,0,0|1,0,0]=3 20173 B15R1.778 CCOC(=O)CCCSC1C=CCCC1 62a_100000751183_100009991533 [0,1,0,1,0,0|0,0,2]=4 20174 B15R1.778 CCOC(=O)CCCSC1C=CCCC1 62a_100009991533_100000751183 [0,1,0,1,0,0|0,0,2]=4 20175 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100000210327_100009991533 [0,1,0,1,0,0|0,0,0]=2 20176 B15R1.778 CCOC(=O)CCCSC1CCCCC1 62a_100009991533_100000210327 [0,1,0,1,0,0|0,0,0]=2 20177 B15R1.778 CCOC(=O)CCCSC1CCCOC1 62a_100009991533_100000693364 [0,1,0,1,0,0|1,0,0]=3 20178 B15R1.778 CCOC(=O)CCCSC1CCOCC1 62a_100009991533_100011324220 [0,1,0,1,0,0|1,0,0]=3 20179 B15R1.778 CCOC(=O)CCCSC1CCSCC1 62a_100009991533_100000069128 [0,1,0,1,0,0|1,0,0]=3 20180 B15R1.778 CCOC(=O)CCNCC1CCCCC1 2230a_100000210473_100011206558 [0,1,0,1,0,0|0,0,0]=2 20181 B15R1.778 CCOC(=O)CCNCC1CCCCC1 34a_100000210473_100000765890 [0,1,0,1,0,0|0,0,0]=2 20182 B15R1.778 CCOC(=O)CCNCC1CCCCO1 2230a_100000174945_100011206558 [0,1,0,1,0,0|1,0,0]=3 20183 B15R1.778 CCOC(=O)CCNCC1CCCCO1 34a_100000174945_100000765890 [0,1,0,1,0,0|1,0,0]=3 20184 B15R1.778 CCOC(=O)CCNCC1CCCOC1 2230a_100000720124_100011206558 [0,1,0,1,0,0|1,0,0]=3 20185 B15R1.778 CCOC(=O)CCNCC1CCCOC1 34a_100000720124_100000765890 [0,1,0,1,0,0|1,0,0]=3 20186 B15R1.778 CCOC(=O)CCNCC1CCOCC1 2230a_100000746373_100011206558 [0,1,0,1,0,0|1,0,0]=3 20187 B15R1.778 CCOC(=O)CCNCC1CCOCC1 34a_100000746373_100000765890 [0,1,0,1,0,0|1,0,0]=3 20188 B15R1.778 CCOC(=O)CCNCC1CCSCC1 2230a_100015188806_100011206558 [0,1,0,1,0,0|1,0,0]=3 20189 B15R1.778 CCOC(=O)CCNCC1CCSCC1 34a_100015188806_100000765890 [0,1,0,1,0,0|1,0,0]=3 20190 B15R1.778 CCOC(=O)CCNC[C@H]1COCCO1 2230a_100010981119_100011206558 [0,1,0,1,0,0|2,0,0]=4 20191 B15R1.778 CCOC(=O)CCNC[C@H]1COCCO1 34a_100010981119_100000765890 [0,1,0,1,0,0|2,0,0]=4 20192 B15R1.778 CCOC(=O)CCOCC1CC=CCC1 34a_100000210713_100000765890 [0,1,0,1,0,0|0,0,2]=4 20193 B15R1.778 CCOC(=O)CCOCC1CCCCC1 34a_100000212181_100000765890 [0,1,0,1,0,0|0,0,0]=2 20194 B15R1.778 CCOC(=O)CCOCC1CCCCC1 7a_100000212181_100011206558 [0,1,0,1,0,0|0,0,0]=2 20195 B15R1.778 CCOC(=O)CCOCC1CCCCN1 34a_100000210821_100000765890 [0,1,0,1,0,0|1,0,0]=3 20196 B15R1.778 CCOC(=O)CCOCC1CCCCO1 34a_100000211370_100000765890 [0,1,0,1,0,0|1,0,0]=3 20197 B15R1.778 CCOC(=O)CCOCC1CCCCO1 7a_100000211370_100011206558 [0,1,0,1,0,0|1,0,0]=3 20198 B15R1.778 CCOC(=O)CCOCC1CCCNC1 34a_100000211344_100000765890 [0,1,0,1,0,0|1,0,0]=3 20199 B15R1.778 CCOC(=O)CCOCC1CCCOC1 34a_100000741520_100000765890 [0,1,0,1,0,0|1,0,0]=3 20200 B15R1.778 CCOC(=O)CCOCC1CCNCC1 34a_100000738675_100000765890 [0,1,0,1,0,0|1,0,0]=3 20201 B15R1.778 CCOC(=O)CCOCC1CCOCC1 34a_100000749013_100000765890 [0,1,0,1,0,0|1,0,0]=3 20202 B15R1.778 CCOC(=O)CCOCC1CCSCC1 34a_100000070558_100000765890 [0,1,0,1,0,0|1,0,0]=3 20203 B15R1.778 CCOC(=O)CCOCC1CCSCC1 7a_100000070558_100011206558 [0,1,0,1,0,0|1,0,0]=3 20204 B15R1.778 CCOC(=O)CCOC[C@@H]1CNCCO1 34a_100015189573_100000765890 [0,1,0,1,0,0|2,0,0]=4 20205 B15R1.778 CCOC(=O)CCOC[C@@H]1COCCN1 34a_100000717676_100000765890 [0,1,0,1,0,0|2,0,0]=4 20206 B15R1.778 CCOC(=O)CCOC[C@H]1COCCO1 34a_100009875890_100000765890 [0,1,0,1,0,0|2,0,0]=4 20207 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000211423_100000765890 [0,1,0,1,0,0|0,0,0]=2 20208 B15R1.778 CCOC(=O)CCSCC1CCCCC1 62a_100000765890_100000211423 [0,1,0,1,0,0|0,0,0]=2 20209 B15R1.778 CCOC(=O)CCSCC1CCCCO1 62a_100000211543_100000765890 [0,1,0,1,0,0|1,0,0]=3 20210 B15R1.778 CCOC(=O)CCSCC1CCCCO1 62a_100000765890_100000211543 [0,1,0,1,0,0|1,0,0]=3 20211 B15R1.778 CCOC(=O)CCSCC1CCCOC1 62a_100000741521_100000765890 [0,1,0,1,0,0|1,0,0]=3 20212 B15R1.778 CCOC(=O)CCSCC1CCCOC1 62a_100000765890_100000741521 [0,1,0,1,0,0|1,0,0]=3 20213 B15R1.778 CCOC(=O)CCSCC1CCOCC1 62a_100000754603_100000765890 [0,1,0,1,0,0|1,0,0]=3 20214 B15R1.778 CCOC(=O)CCSCC1CCOCC1 62a_100000765890_100000749018 [0,1,0,1,0,0|1,0,0]=3 20215 B15R1.778 CCOC(=O)CNCCC1=CCCCC1 2230a_100000212019_100000188475 [0,1,0,1,0,0|0,0,2]=4 20216 B15R1.778 CCOC(=O)CNCCC1=CCCCC1 34a_100000212019_100000188475 [0,1,0,1,0,0|0,0,2]=4 20217 B15R1.778 CCOC(=O)CNCCC1CCCCC1 2230a_100000738074_100000188475 [0,1,0,1,0,0|0,0,0]=2 20218 B15R1.778 CCOC(=O)CNCCC1CCCCC1 34a_100000738074_100000188475 [0,1,0,1,0,0|0,0,0]=2 20219 B15R1.778 CCOC(=O)CNCCC1CCCCO1 2230a_100015183643_100000188475 [0,1,0,1,0,0|1,0,0]=3 20220 B15R1.778 CCOC(=O)CNCCC1CCCCO1 34a_100015183643_100000188475 [0,1,0,1,0,0|1,0,0]=3 20221 B15R1.778 CCOC(=O)CNCCC1CCOCC1 2230a_100000755988_100000188475 [0,1,0,1,0,0|1,0,0]=3 20222 B15R1.778 CCOC(=O)CNCCC1CCOCC1 34a_100000755988_100000188475 [0,1,0,1,0,0|1,0,0]=3 20223 B15R1.778 CCOC(=O)CNCCN1CCSCC1 2230a_100000755026_100000188475 [0,1,0,1,0,0|2,0,0]=4 20224 B15R1.778 CCOC(=O)COCCC1CCCCC1 34a_100011217863_100000188475 [0,1,0,1,0,0|0,0,0]=2 20225 B15R1.778 CCOC(=O)COCCC1CCCCC1 7a_100011217863_100000188475 [0,1,0,1,0,0|0,0,0]=2 20226 B15R1.778 CCOC(=O)COCCC1CCCCN1 34a_100000211664_100000188475 [0,1,0,1,0,0|1,0,0]=3 20227 B15R1.778 CCOC(=O)COCCC1CCCNC1 34a_100000752241_100000188475 [0,1,0,1,0,0|1,0,0]=3 20228 B15R1.778 CCOC(=O)COCCC1CCNCC1 34a_100015190746_100000188475 [0,1,0,1,0,0|1,0,0]=3 20229 B15R1.778 CCOC(=O)COCCC1CCOCC1 34a_100011933979_100000188475 [0,1,0,1,0,0|1,0,0]=3 20230 B15R1.778 CCOC(=O)COCCC1CCOCC1 7a_100011933979_100000188475 [0,1,0,1,0,0|1,0,0]=3 20231 B15R1.778 CCOC(=O)COCCC1SCCCS1 34a_200011025297_100000188475 [0,1,0,1,0,0|2,0,0]=4 20232 B15R1.778 CCOC(=O)COCCC1SCCCS1 7a_200011025297_100000188475 [0,1,0,1,0,0|2,0,0]=4 20233 B15R1.778 CCOC(=O)COCCN1CCCOC1 2230a_100000131196_100000088970 [0,1,0,1,0,0|2,0,0]=4 20234 B15R1.778 CCOC(=O)COCCN1CCCOC1 269982a_100000131196_100000088970 [0,1,0,1,0,0|2,0,0]=4 20235 B15R1.778 CCOC(=O)COCCN1CCCOC1 34a_100000131196_100000088970 [0,1,0,1,0,0|2,0,0]=4 20236 B15R1.778 CCOC(=O)COCCN1CCOCC1 2230a_100015191051_100000088970 [0,1,0,1,0,0|2,0,0]=4 20237 B15R1.778 CCOC(=O)COCCN1CCOCC1 269982a_100015191051_100000088970 [0,1,0,1,0,0|2,0,0]=4 20238 B15R1.778 CCOC(=O)COCCN1CCOCC1 34a_100015191051_100000088970 [0,1,0,1,0,0|2,0,0]=4 20239 B15R1.778 CCOC(=O)COCCN1CCSCC1 2230a_100000737611_100000088970 [0,1,0,1,0,0|2,0,0]=4 20240 B15R1.778 CCOC(=O)COCCN1CCSCC1 269982a_100000737611_100000088970 [0,1,0,1,0,0|2,0,0]=4 20241 B15R1.778 CCOC(=O)COCCN1CCSCC1 7a_100000686052_100000188475 [0,1,0,1,0,0|2,0,0]=4 20242 B15R1.778 CCOC(=O)COCC[C@@H]1CNCCN1 34a_100016989929_100000188475 [0,1,0,1,0,0|2,0,0]=4 20243 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100000188475_100012355289 [0,1,0,1,0,0|0,0,0]=2 20244 B15R1.778 CCOC(=O)CSCCC1CCCCC1 62a_100012355289_100000188475 [0,1,0,1,0,0|0,0,0]=2 20245 B15R1.778 CCOC(=O)CSCCC1CCOCC1 62a_100000188475_100011934994 [0,1,0,1,0,0|1,0,0]=3 20246 B15R1.778 CCOC(=O)CSCCC1CCOCC1 62a_100011934994_100000188475 [0,1,0,1,0,0|1,0,0]=3 20247 B15R1.778 CCOC(=O)CSCCC1OCCCO1 62a_100000188475_100000764188 [0,1,0,1,0,0|2,0,0]=4 20248 B15R1.778 CCOC(=O)CSCCC1OCCCO1 62a_100000764188_100000188475 [0,1,0,1,0,0|2,0,0]=4 20249 B15R1.778 CCOC(=O)CSCCN1CCCCC1 62a_100000188475_100000739454 [0,1,0,1,0,0|1,0,0]=3 20250 B15R1.778 CCOC(=O)CSCCN1CCCCC1 62a_100000739454_100000188475 [0,1,0,1,0,0|1,0,0]=3 20251 B15R1.778 CCOC(=O)CSCCN1CCOCC1 62a_100000188475_100000211760 [0,1,0,1,0,0|2,0,0]=4 20252 B15R1.778 CCOC(=O)CSCOC1CCCCC1 62a_100000188475_100011935260 [0,1,0,1,0,0|1,0,0]=3 20253 B15R1.778 CCOC(=O)CSCOC1CCCCC1 62a_100011935260_100000188475 [0,1,0,1,0,0|1,0,0]=3 20254 B15R1.778 CCOC(=O)NCCOC1CCCCC1 34a_100000158857_100000210327 [0,1,0,1,0,0|1,0,0]=3 20255 B15R1.778 CCOC(=O)NCCOC1CCCCC1 7a_100000210231_200011445536 [0,1,0,1,0,0|1,0,0]=3 20256 B15R1.778 CCOC(=O)NCCOC1CCCOC1 34a_100000158857_100000693364 [0,1,0,1,0,0|2,0,0]=4 20257 B15R1.778 CCOC(=O)NCCOC1CCCSC1 7a_100015962668_200011445536 [0,1,0,1,0,0|2,0,0]=4 20258 B15R1.778 CCOC(=O)NCCOC1CCSCC1 34a_100000158857_100000069128 [0,1,0,1,0,0|2,0,0]=4 20259 B15R1.778 CCOC(=O)NCCOC1CCSCC1 7a_100000731022_200011445536 [0,1,0,1,0,0|2,0,0]=4 20260 B15R1.778 CCOC(=O)NCCSC1CCCCC1 62a_100000210327_200011445536 [0,1,0,1,0,0|1,0,0]=3 20261 B15R1.778 CCOC(=O)OCSCC1CCCCC1 62a_100000211423_100000075025 [0,1,0,1,0,0|1,0,0]=3 20262 B15R1.778 CCOC(=O)OCSCC1CCCCO1 62a_100000211543_100000075025 [0,1,0,1,0,0|2,0,0]=4 20263 B15R1.778 CCOC(=O)OCSCC1CCCOC1 62a_100000741521_100000075025 [0,1,0,1,0,0|2,0,0]=4 20264 B15R1.778 CCOC(=O)OCSCC1CCOCC1 62a_100000754603_100000075025 [0,1,0,1,0,0|2,0,0]=4 20265 B15R1.778 CNCC(=O)NCCCC1CCCCC1 2230a_106832991635_200000048884 [0,1,0,1,0,0|2,0,0]=4 20266 B15R1.778 CNCC(=O)NCCCC1CCCCC1 34a_100102657272_200000048884 [0,1,0,1,0,0|2,0,0]=4 20267 B15R1.778 CNCC(=O)NCCCC1CCCCC1 7a_106832991635_200000048884 [0,1,0,1,0,0|2,0,0]=4 20268 B15R1.778 CNNC(=O)CCCCC1CCCCC1 22a_100016993582_200011215547 [0,1,0,1,0,0|2,0,0]=4 20269 B15R1.778 CNNC(=O)CCCCN1CCCCC1 22a_100016993582_100000754417 [0,1,0,1,0,0|2,0,0]=4 20270 B15R1.778 CNNC(=O)NCCCC1CCCCC1 273464a_100011211642_100016993582 [0,1,0,1,0,0|2,0,0]=4 20271 B15R1.778 CNNC(=O)NCCCC1CCCCC1 512a_100011211642_100016993582 [0,1,0,1,0,0|2,0,0]=4 20272 B15R1.778 CNNC(=O)NCCCC1CCCCC1 512a_100016993582_100011211642 [0,1,0,1,0,0|2,0,0]=4 20273 B15R1.778 COCC(=O)NCCCC1CCCCC1 11a_100011211642_100000210968 [0,1,0,1,0,0|2,0,0]=4 20274 B15R1.778 COCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000210968 [0,1,0,1,0,0|2,0,0]=4 20275 B15R1.778 COCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000210968 [0,1,0,1,0,0|2,0,0]=4 20276 B15R1.778 COCC(=O)NCCCC1CCCCC1 34a_100138415774_200000048884 [0,1,0,1,0,0|2,0,0]=4 20277 B15R1.778 COCC(=O)NCCCC1CCCCC1 527a_100011211642_100000210968 [0,1,0,1,0,0|2,0,0]=4 20278 B15R1.778 CSCC(=O)NCCCC1CCCCC1 11a_100011211642_100000184570 [0,1,0,1,0,0|2,0,0]=4 20279 B15R1.778 CSCC(=O)NCCCC1CCCCC1 1626a_100011211642_100000184570 [0,1,0,1,0,0|2,0,0]=4 20280 B15R1.778 CSCC(=O)NCCCC1CCCCC1 240690a_100011211642_100000184570 [0,1,0,1,0,0|2,0,0]=4 20281 B15R1.778 CSCC(=O)NCCCC1CCCCC1 527a_100011211642_100000184570 [0,1,0,1,0,0|2,0,0]=4 20282 B15R1.778 CSCC(=O)NCCCC1CCCCC1 62a_200000048884_200000210301 [0,1,0,1,0,0|2,0,0]=4 20283 B15R1.778 CSCC(=O)NCCCC1CCCCC1 62a_200000210301_200000048884 [0,1,0,1,0,0|2,0,0]=4 20284 B15R1.778 O=C(CCF)CCCCC1CCCCC1 1458a_200011215547_100011217306 [0,1,0,1,0,0|2,0,0]=4 20285 B15R1.778 O=C(CCF)CCCCN1CCCCC1 1458a_100000754417_100011217306 [0,1,0,1,0,0|2,0,0]=4 20286 B15R1.778 O=C(CCO)CCCCC1CCCCC1 1458a_200011215547_100000211926 [0,1,0,1,0,0|2,0,0]=4 20287 B15R1.778 O=C(CCO)CCCCN1CCCCC1 1458a_100000754417_100000211926 [0,1,0,1,0,0|2,0,0]=4 20288 B15R1.778 O=C(CCO)NCCCC1CCCCC1 240690a_100011211642_100011216618 [0,1,0,1,0,0|2,0,0]=4 20289 B15R1.778 O=C(CNCCC1CCCCC1)NCO 2230a_100000738074_100000185155 [0,1,0,1,0,0|2,0,0]=4 20290 B15R1.778 O=C(CNCCC1CCCCC1)NCO 34a_100000738074_100000185155 [0,1,0,1,0,0|2,0,0]=4 20291 B15R1.778 O=C(COCCC1CCCCC1)NCO 34a_100011217863_100000185155 [0,1,0,1,0,0|2,0,0]=4 20292 B15R1.778 O=C(COCCC1CCCCC1)NCO 7a_100011217863_100000185155 [0,1,0,1,0,0|2,0,0]=4 20293 B15R1.778 O=C(CSCCC1CCCCC1)NCO 62a_100000185155_100012355289 [0,1,0,1,0,0|2,0,0]=4 20294 B15R1.778 O=C(CSCCC1CCCCC1)NCO 62a_100012355289_100000185155 [0,1,0,1,0,0|2,0,0]=4 20295 B15R1.778 [13CH3]SCC(=O)NCCCC1CCCCC1 62a_200000048884_200025704644 [0,1,0,1,0,0|2,0,0]=4 20296 B15R1.778 [13CH3]SCC(=O)NCCCC1CCCCC1 62a_200025704644_200000048884 [0,1,0,1,0,0|2,0,0]=4 20297 B15R1.1220 C=C(CNCCC1CCCC1)OCOC 34a_100000739158_100000042856 [0,1,0,1,0,0|2,0,0]=4 20298 B15R1.1220 C=C(COCCC1CCCC1)OCOC 34a_100000749090_100000042856 [0,1,0,1,0,0|2,0,0]=4 20299 B15R1.1220 C=C(CSCCC1CCCC1)OCOC 62a_100000042856_100000760354 [0,1,0,1,0,0|2,0,0]=4 20300 B15R1.1220 C=C(CSCCC1CCCC1)OCOC 62a_100000760354_100000042856 [0,1,0,1,0,0|2,0,0]=4 20301 B15R1.1220 C=CCOC(=O)CNCCC1CCCC1 2230a_100000739158_100000033060 [0,1,0,1,0,0|1,0,1]=4 20302 B15R1.1220 C=CCOC(=O)CNCCC1CCCC1 34a_100000739158_100000033060 [0,1,0,1,0,0|1,0,1]=4 20303 B15R1.1220 C=CCOC(=O)COCCC1CCCC1 34a_100000749090_100000033060 [0,1,0,1,0,0|1,0,1]=4 20304 B15R1.1220 C=CCOC(=O)COCCC1CCCC1 7a_100000749090_100000033060 [0,1,0,1,0,0|1,0,1]=4 20305 B15R1.1220 C=CCOC(=O)CSCCC1CCCC1 62a_100000033060_100000760354 [0,1,0,1,0,0|1,0,1]=4 20306 B15R1.1220 C=CCOC(=O)CSCCC1CCCC1 62a_100000760354_100000033060 [0,1,0,1,0,0|1,0,1]=4 20307 B15R1.1220 CCC=CC(=O)NCCCC1CCCC1 11a_100000736752_100000212282 [0,1,0,1,0,0|2,0,0]=4 20308 B15R1.1220 CCC=CC(=O)NCCCC1CCCC1 1626a_100000736752_100000212282 [0,1,0,1,0,0|2,0,0]=4 20309 B15R1.1220 CCC=CC(=O)NCCCC1CCCC1 240690a_100000736752_100000212282 [0,1,0,1,0,0|2,0,0]=4 20310 B15R1.1220 CCCCC(=O)NCCCC1CCCC1 11a_100000736752_100000210183 [0,1,0,1,0,0|2,0,0]=4 20311 B15R1.1220 CCCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000210183 [0,1,0,1,0,0|2,0,0]=4 20312 B15R1.1220 CCCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000210183 [0,1,0,1,0,0|2,0,0]=4 20313 B15R1.1220 CCCCC(=O)NCCCC1CCCC1 527a_100000736752_100000210183 [0,1,0,1,0,0|2,0,0]=4 20314 B15R1.1220 CCCNC(=O)CCCNC1CCCC1 2230a_100000211070_100011194427 [0,1,0,1,0,0|2,0,0]=4 20315 B15R1.1220 CCCNC(=O)CCCOC1CCCC1 7a_100000210269_100011194427 [0,1,0,1,0,0|2,0,0]=4 20316 B15R1.1220 CCCNC(=O)CCCSC1CCCC1 62a_100011194427_100000179811 [0,1,0,1,0,0|2,0,0]=4 20317 B15R1.1220 CCCNC(=O)CCCSC1CCCC1 62a_100011217020_100011194427 [0,1,0,1,0,0|2,0,0]=4 20318 B15R1.1220 CCCNC(=O)CNCCC1CCCC1 2230a_100000174927_100000760354 [0,1,0,1,0,0|2,0,0]=4 20319 B15R1.1220 CCCNC(=O)CNCCC1CCCC1 2230a_100000739158_100000183358 [0,1,0,1,0,0|2,0,0]=4 20320 B15R1.1220 CCCNC(=O)CNCCC1CCCC1 34a_100000739158_100000183358 [0,1,0,1,0,0|2,0,0]=4 20321 B15R1.1220 CCCNC(=O)COCCC1CCCC1 34a_100000749090_100000183358 [0,1,0,1,0,0|2,0,0]=4 20322 B15R1.1220 CCCNC(=O)COCCC1CCCC1 7a_100000749090_100000183358 [0,1,0,1,0,0|2,0,0]=4 20323 B15R1.1220 CCCNC(=O)CSCCC1CCCC1 62a_100000183358_100000760354 [0,1,0,1,0,0|2,0,0]=4 20324 B15R1.1220 CCCNC(=O)CSCCC1CCCC1 62a_100000760354_100000183358 [0,1,0,1,0,0|2,0,0]=4 20325 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 2708a_100000736752_100020643023 [0,1,0,1,0,0|2,0,0]=4 20326 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 2708a_100020643023_100000736752 [0,1,0,1,0,0|2,0,0]=4 20327 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 273464a_100000736752_100020643023 [0,1,0,1,0,0|2,0,0]=4 20328 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 273464a_100020643023_100000736752 [0,1,0,1,0,0|2,0,0]=4 20329 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 512a_100000736752_100020643023 [0,1,0,1,0,0|2,0,0]=4 20330 B15R1.1220 CCCNC(=O)NCCCC1CCCC1 512a_100020643023_100000736752 [0,1,0,1,0,0|2,0,0]=4 20331 B15R1.1220 CCCOC(=O)CNCCC1CCCC1 2230a_100000739158_200011215008 [0,1,0,1,0,0|1,0,0]=3 20332 B15R1.1220 CCCOC(=O)CNCCC1CCCC1 34a_100000739158_200011215008 [0,1,0,1,0,0|1,0,0]=3 20333 B15R1.1220 CCCOC(=O)COCCC1CCCC1 34a_100000749090_200011215008 [0,1,0,1,0,0|1,0,0]=3 20334 B15R1.1220 CCCOC(=O)COCCC1CCCC1 7a_100000749090_200011215008 [0,1,0,1,0,0|1,0,0]=3 20335 B15R1.1220 CCCOC(=O)COCCC1CCNC1 34a_100016987287_200011215008 [0,1,0,1,0,0|2,0,0]=4 20336 B15R1.1220 CCCOC(=O)COCCC1CCOC1 34a_100011879284_200011215008 [0,1,0,1,0,0|2,0,0]=4 20337 B15R1.1220 CCCOC(=O)CSCCC1CCCC1 62a_100000760354_200011215008 [0,1,0,1,0,0|1,0,0]=3 20338 B15R1.1220 CCCOC(=O)CSCCC1CCCC1 62a_200011215008_100000760354 [0,1,0,1,0,0|1,0,0]=3 20339 B15R1.1220 CCCOC(=O)CSCCN1CCCC1 62a_100000700749_200011215008 [0,1,0,1,0,0|2,0,0]=4 20340 B15R1.1220 CCCOC(=O)CSCCN1CCCC1 62a_200011215008_100000004467 [0,1,0,1,0,0|2,0,0]=4 20341 B15R1.1220 CCCOC(=O)OCNCC1CCCC1 34a_100000737975_200000139673 [0,1,0,1,0,0|2,0,0]=4 20342 B15R1.1220 CCCOC(=O)OCOCC1CCCC1 34a_100000742336_200000139673 [0,1,0,1,0,0|2,0,0]=4 20343 B15R1.1220 CCCOC(=O)OCOCC1CCCC1 7a_100000742336_200000139673 [0,1,0,1,0,0|2,0,0]=4 20344 B15R1.1220 CCCOC(=O)OCSCC1CCCC1 62a_100000740388_200000139673 [0,1,0,1,0,0|2,0,0]=4 20345 B15R1.1220 CCNNC(=O)NCCCC1CCCC1 273464a_100000736752_100000756455 [0,1,0,1,0,0|2,0,0]=4 20346 B15R1.1220 CCNNC(=O)NCCCC1CCCC1 512a_100000736752_100000756455 [0,1,0,1,0,0|2,0,0]=4 20347 B15R1.1220 CCNNC(=O)NCCCC1CCCC1 512a_100000756455_100000736752 [0,1,0,1,0,0|2,0,0]=4 20348 B15R1.1220 CCOCC(=O)CCCCC1OCCO1 1458a_100000211967_100000034956 [0,1,0,1,0,0|2,0,0]=4 20349 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 11a_100000736752_100000211967 [0,1,0,1,0,0|1,0,0]=3 20350 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 1626a_100000736752_100000211967 [0,1,0,1,0,0|1,0,0]=3 20351 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 240690a_100000736752_100000211967 [0,1,0,1,0,0|1,0,0]=3 20352 B15R1.1220 CCOCC(=O)NCCCC1CCCC1 527a_100000736752_100000211967 [0,1,0,1,0,0|1,0,0]=3 20353 B15R1.1220 CCOCC(=O)NCCCN1CCCC1 240690a_100000204695_100000211967 [0,1,0,1,0,0|2,0,0]=4 20354 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 11a_100000741755_100000211967 [0,1,0,1,0,0|2,0,0]=4 20355 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 1626a_100000741755_100000211967 [0,1,0,1,0,0|2,0,0]=4 20356 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 240690a_100000741755_100000211967 [0,1,0,1,0,0|2,0,0]=4 20357 B15R1.1220 CCOCC(=O)NCCOC1CCCC1 527a_100000741755_100000211967 [0,1,0,1,0,0|2,0,0]=4 20358 B15R1.1220 CCSCC(=O)NCCCC1CCCC1 11a_100000736752_100000230394 [0,1,0,1,0,0|1,1,0]=4 20359 B15R1.1220 CCSCC(=O)NCCCC1CCCC1 1626a_100000736752_100000230394 [0,1,0,1,0,0|1,1,0]=4 20360 B15R1.1220 CCSCC(=O)NCCCC1CCCC1 240690a_100000736752_100000230394 [0,1,0,1,0,0|1,1,0]=4 20361 B15R1.1220 CCSCC(=O)NCCCC1CCCC1 527a_100000736752_100000230394 [0,1,0,1,0,0|1,1,0]=4 20362 B15R1.1220 COCCC(=O)NCCCC1CCCC1 11a_100000736752_100000749529 [0,1,0,1,0,0|2,0,0]=4 20363 B15R1.1220 COCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000749529 [0,1,0,1,0,0|2,0,0]=4 20364 B15R1.1220 COCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000749529 [0,1,0,1,0,0|2,0,0]=4 20365 B15R1.1220 COCCC(=O)NCCCC1CCCC1 527a_100000736752_100000749529 [0,1,0,1,0,0|2,0,0]=4 20366 B15R1.1220 CSCCC(=O)NCCCC1CCCC1 11a_100000736752_100000174002 [0,1,0,1,0,0|2,0,0]=4 20367 B15R1.1220 CSCCC(=O)NCCCC1CCCC1 1626a_100000736752_100000174002 [0,1,0,1,0,0|2,0,0]=4 20368 B15R1.1220 CSCCC(=O)NCCCC1CCCC1 240690a_100000736752_100000174002 [0,1,0,1,0,0|2,0,0]=4 20369 B15R1.1220 CSCCC(=O)NCCCC1CCCC1 527a_100000736752_100000174002 [0,1,0,1,0,0|2,0,0]=4 20370 B15R1.1220 O=C(CNCCC1CCCC1)NCCF 2230a_100000725713_100000760354 [0,1,0,1,0,0|2,0,0]=4 20371 B15R1.1220 O=C(NCCF)NCCCC1CCCC1 2708a_100000736752_100000724931 [0,1,0,1,0,0|2,0,0]=4 20372 B15R1.1220 O=C(NCCF)NCCCC1CCCC1 273464a_100000724931_100000736752 [0,1,0,1,0,0|2,0,0]=4 20373 B15R1.1220 O=C(NCCF)NCCCC1CCCC1 273464a_100000736752_100000724931 [0,1,0,1,0,0|2,0,0]=4 20374 B15R1.1220 O=C(NCCF)NCCCC1CCCC1 512a_100000736752_100000724931 [0,1,0,1,0,0|2,0,0]=4 20375 B15R1.1220 O=C(NCCO)NCCCC1CCCC1 2708a_100000736752_100000210304 [0,1,0,1,0,0|2,0,0]=4 20376 B15R1.1220 O=C(NCCO)NCCCC1CCCC1 273464a_100000210304_100000736752 [0,1,0,1,0,0|2,0,0]=4 20377 B15R1.1220 O=C(NCCO)NCCCC1CCCC1 273464a_100000736752_100000210304 [0,1,0,1,0,0|2,0,0]=4 20378 B15R1.1220 O=C(NCCO)NCCCC1CCCC1 512a_100000736752_100000210304 [0,1,0,1,0,0|2,0,0]=4 20379 B15R1.1252 CCCC(=O)CSCC1CCCCN1C 62a_100000747444_100015185383 [0,1,0,1,0,0|2,0,0]=4 20380 B15R1.1252 CCCC(=O)CSCC1CCCCN1C 62a_100015185383_100000747444 [0,1,0,1,0,0|2,0,0]=4 20381 B15R1.1252 CCCC(=O)NCCN1CCCCC1C 240690a_100000739827_100000211992 [0,1,0,1,0,0|2,0,0]=4 20382 B15R1.1252 CCCC(=O)NCCN1CCCCC1C 527a_100000739827_100000211992 [0,1,0,1,0,0|2,0,0]=4 20383 B15R1.1252 CCCC(=O)OCNC1CCCCC1C 2230a_100000211402_100000034017 [0,1,0,1,0,0|2,0,0]=4 20384 B15R1.1252 CCCC(=O)OCNC1CCCCC1C 34a_100000211402_100000034017 [0,1,0,1,0,0|2,0,0]=4 20385 B15R1.1252 CCCC(=O)OCOC1CCCCC1C 34a_100000211207_100000034017 [0,1,0,1,0,0|2,0,0]=4 20386 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 2230a_100000211402_100000737597 [0,1,0,1,0,0|1,0,0]=3 20387 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 269862a_100025743525_100000210921 [0,1,0,1,0,0|1,0,0]=3 20388 B15R1.1252 CCNC(=O)CCNC1CCCCC1C 270004a_100025743525_100000210921 [0,1,0,1,0,0|1,0,0]=3 20389 B15R1.1252 CCNC(=O)CCNC1CCCCC1F 34a_100025743525_100015423560 [0,1,0,1,0,0|2,0,0]=4 20390 B15R1.1252 CCNC(=O)CCNC1CCCCC1O 34a_100025743525_100000038908 [0,1,0,1,0,0|2,0,0]=4 20391 B15R1.1252 CCNC(=O)CCNC1CCNCC1C 270004a_100025743525_100000703950 [0,1,0,1,0,0|2,0,0]=4 20392 B15R1.1252 CCNC(=O)CCNC1CCOCC1C 270004a_100025743525_100000755695 [0,1,0,1,0,0|2,0,0]=4 20393 B15R1.1252 CCNC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000737597 [0,1,0,1,0,0|2,0,0]=4 20394 B15R1.1252 CCNC(=O)CCOC1CCCCC1C 7a_100000211207_100000737597 [0,1,0,1,0,0|1,0,0]=3 20395 B15R1.1252 CCNC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000737597 [0,1,0,1,0,0|2,0,0]=4 20396 B15R1.1252 CCNC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000737597 [0,1,0,1,0,0|2,0,0]=4 20397 B15R1.1252 CCNC(=O)CCSC1CCCCC1F 62a_100000737597_100015423560 [0,1,0,1,0,0|2,0,0]=4 20398 B15R1.1252 CCNC(=O)CCSC1CCCCC1F 62a_100015423560_100000737597 [0,1,0,1,0,0|2,0,0]=4 20399 B15R1.1252 CCNC(=O)CCSC1CCCCC1O 62a_100000038908_100000737597 [0,1,0,1,0,0|2,0,0]=4 20400 B15R1.1252 CCNC(=O)CCSC1CCCCC1O 62a_100000737597_100000038908 [0,1,0,1,0,0|2,0,0]=4 20401 B15R1.1252 CCNC(=O)CNCC1CCCCC1O 34a_100011216029_100000183381 [0,1,0,1,0,0|2,0,0]=4 20402 B15R1.1252 CCNC(=O)CNCC1CCCCN1C 34a_100011228421_100000183381 [0,1,0,1,0,0|2,0,0]=4 20403 B15R1.1252 CCNC(=O)COCC1CCCCN1C 34a_100000225079_100000183381 [0,1,0,1,0,0|2,0,0]=4 20404 B15R1.1252 CCNC(=O)CSCC1CCCCN1C 62a_100000183381_100015185383 [0,1,0,1,0,0|2,0,0]=4 20405 B15R1.1252 CCNC(=O)CSCC1CCCCN1C 62a_100015185383_100000183381 [0,1,0,1,0,0|2,0,0]=4 20406 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 2708a_100015525214_100000739827 [0,1,0,1,0,0|2,0,0]=4 20407 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 273464a_100000739827_100015525214 [0,1,0,1,0,0|2,0,0]=4 20408 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 273464a_100015525214_100000739827 [0,1,0,1,0,0|2,0,0]=4 20409 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 512a_100000739827_100015525214 [0,1,0,1,0,0|2,0,0]=4 20410 B15R1.1252 CCNC(=O)NCCN1CCCCC1C 512a_100015525214_100000739827 [0,1,0,1,0,0|2,0,0]=4 20411 B15R1.1252 CCOC(=O)/C=C/CN1CCCCC1C 2230a_100000211376_100016267167 [0,1,0,1,0,0|0,0,2]=4 20412 B15R1.1252 CCOC(=O)/C=C/CN1CCCCC1C 269982a_100000211376_100016267167 [0,1,0,1,0,0|0,0,2]=4 20413 B15R1.1252 CCOC(=O)/C=C/CN1CCCCC1C 34a_100000211376_100016267167 [0,1,0,1,0,0|0,0,2]=4 20414 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 2230a_100000211376_100009991533 [0,1,0,1,0,0|0,0,0]=2 20415 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 269982a_100000211376_100009991533 [0,1,0,1,0,0|0,0,0]=2 20416 B15R1.1252 CCOC(=O)CCCN1CCCCC1C 34a_100000211376_100009991533 [0,1,0,1,0,0|0,0,0]=2 20417 B15R1.1252 CCOC(=O)CCCN1CCOC[C@@H]1C 2230a_100009815349_100009991533 [0,1,0,1,0,0|1,0,0]=3 20418 B15R1.1252 CCOC(=O)CCCN1CCOC[C@@H]1C 269982a_100009815349_100009991533 [0,1,0,1,0,0|1,0,0]=3 20419 B15R1.1252 CCOC(=O)CCCN1CCOC[C@@H]1C 34a_100009815349_100009991533 [0,1,0,1,0,0|1,0,0]=3 20420 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 2230a_100000211402_100011206558 [0,1,0,1,0,0|0,0,0]=2 20421 B15R1.1252 CCOC(=O)CCNC1CCCCC1C 34a_100000211402_100000765890 [0,1,0,1,0,0|0,0,0]=2 20422 B15R1.1252 CCOC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011206558 [0,1,0,1,0,0|1,0,0]=3 20423 B15R1.1252 CCOC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000765890 [0,1,0,1,0,0|1,0,0]=3 20424 B15R1.1252 CCOC(=O)CCN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_100011206558 [0,1,0,1,0,0|2,0,0]=4 20425 B15R1.1252 CCOC(=O)CCN[C@H]1CCOC[C@@H]1F 2230a_100016994078_100011206558 [0,1,0,1,0,0|2,0,0]=4 20426 B15R1.1252 CCOC(=O)CCN[C@H]1CCOC[C@@H]1F 34a_100016994078_100000765890 [0,1,0,1,0,0|2,0,0]=4 20427 B15R1.1252 CCOC(=O)CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100011206558 [0,1,0,1,0,0|2,0,0]=4 20428 B15R1.1252 CCOC(=O)CCOC1CCCCC1=O 34a_100011214950_100000765890 [0,1,0,1,0,0|1,0,1]=4 20429 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 34a_100000211207_100000765890 [0,1,0,1,0,0|0,0,0]=2 20430 B15R1.1252 CCOC(=O)CCOC1CCCCC1C 7a_100000211207_100011206558 [0,1,0,1,0,0|0,0,0]=2 20431 B15R1.1252 CCOC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000765890 [0,1,0,1,0,0|1,0,0]=3 20432 B15R1.1252 CCOC(=O)CCOC1CCCCC1Cl 7a_100000038908_100011206558 [0,1,0,1,0,0|1,0,0]=3 20433 B15R1.1252 CCOC(=O)CCOC1CCNCC1C 34a_100011998114_100000765890 [0,1,0,1,0,0|1,0,0]=3 20434 B15R1.1252 CCOC(=O)CCOC1CNCCC1C 34a_100000696640_100000765890 [0,1,0,1,0,0|1,0,0]=3 20435 B15R1.1252 CCOC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000765890 [0,1,0,1,0,0|1,0,0]=3 20436 B15R1.1252 CCOC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011206558 [0,1,0,1,0,0|1,0,0]=3 20437 B15R1.1252 CCOC(=O)CCO[C@@H]1CCNC[C@@H]1F 34a_200016994291_100000765890 [0,1,0,1,0,0|2,0,0]=4 20438 B15R1.1252 CCOC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000765890 [0,1,0,1,0,0|1,0,0]=3 20439 B15R1.1252 CCOC(=O)CCO[C@H]1CCOC[C@@H]1N 34a_100015739063_100000765890 [0,1,0,1,0,0|2,0,0]=4 20440 B15R1.1252 CCOC(=O)CCO[C@H]1COCC[C@H]1N 34a_100016994285_100000765890 [0,1,0,1,0,0|2,0,0]=4 20441 B15R1.1252 CCOC(=O)CCSC1CCCCC1=O 62a_100000204591_100000765890 [0,1,0,1,0,0|1,0,1]=4 20442 B15R1.1252 CCOC(=O)CCSC1CCCCC1=O 62a_100000765890_100000204591 [0,1,0,1,0,0|1,0,1]=4 20443 B15R1.1252 CCOC(=O)CCSC1CCCCC1F 62a_100000765890_100015423560 [0,1,0,1,0,0|1,0,0]=3 20444 B15R1.1252 CCOC(=O)CCSC1CCCCC1F 62a_100015423560_100000765890 [0,1,0,1,0,0|1,0,0]=3 20445 B15R1.1252 CCOC(=O)CCSC1CCCCC1O 62a_100000038908_100000765890 [0,1,0,1,0,0|1,0,0]=3 20446 B15R1.1252 CCOC(=O)CCSC1CCCCC1O 62a_100000765890_100000038908 [0,1,0,1,0,0|1,0,0]=3 20447 B15R1.1252 CCOC(=O)CNCC1CCCCC1O 34a_100011216029_100000188475 [0,1,0,1,0,0|1,0,0]=3 20448 B15R1.1252 CCOC(=O)CNCC1CCCCN1C 34a_100011228421_100000188475 [0,1,0,1,0,0|1,0,0]=3 20449 B15R1.1252 CCOC(=O)COCC1CC=CCC1C 34a_100000211322_100000188475 [0,1,0,1,0,0|0,0,2]=4 20450 B15R1.1252 CCOC(=O)COCC1CCCCC1=O 34a_100009861125_100000188475 [0,1,0,1,0,0|1,0,1]=4 20451 B15R1.1252 CCOC(=O)COCC1CCCCC1=O 7a_100009861125_100000188475 [0,1,0,1,0,0|1,0,1]=4 20452 B15R1.1252 CCOC(=O)COCC1CCCCN1C 34a_100000225079_100000188475 [0,1,0,1,0,0|1,0,0]=3 20453 B15R1.1252 CCOC(=O)COCC1COCCC1N 34a_214813039666_100000188475 [0,1,0,1,0,0|2,0,0]=4 20454 B15R1.1252 CCOC(=O)COCC1COCCN1C 34a_100013547906_100000188475 [0,1,0,1,0,0|2,0,0]=4 20455 B15R1.1252 CCOC(=O)CSCC1CCCCN1C 62a_100000188475_100015185383 [0,1,0,1,0,0|1,0,0]=3 20456 B15R1.1252 CCOC(=O)CSCC1CCCCN1C 62a_100015185383_100000188475 [0,1,0,1,0,0|1,0,0]=3 20457 B15R1.1252 CCOC(=O)NCCN1CCCCC1C 269982a_100000211376_200011445536 [0,1,0,1,0,0|1,0,0]=3 20458 B15R1.1252 CCOC(=O)NCCN1CCOC[C@@H]1C 269982a_100009815349_200011445536 [0,1,0,1,0,0|2,0,0]=4 20459 B15R1.1252 CCOC(=O)OCSC1CCCCC1F 62a_100015423560_100000075025 [0,1,0,1,0,0|2,0,0]=4 20460 B15R1.1252 CCOC(=O)OCSC1CCCCC1O 62a_100000038908_100000075025 [0,1,0,1,0,0|2,0,0]=4 20461 B15R1.3858 CCCC(=O)COC1CC(CCC1C)C 7a_100011217446_100000747444 [0,1,0,1,0,0|2,0,0]=4 20462 B15R1.3858 CCNC(=O)CNC1CC(CCC1C)C 270004a_100016988866_100000034887 [0,1,0,1,0,0|2,0,0]=4 20463 B15R1.3858 CCNC(=O)COC1CC(CCC1C)C 34a_100011217446_100000183381 [0,1,0,1,0,0|2,0,0]=4 20464 B15R1.3858 CCNC(=O)COC1CC(CCC1C)C 7a_100011217446_100000183381 [0,1,0,1,0,0|2,0,0]=4 20465 B15R1.3858 CCOC(=O)CCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100011206558 [0,1,0,1,0,0|2,0,0]=4 20466 B15R1.3858 CCOC(=O)CCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100011206558 [0,1,0,1,0,0|2,0,0]=4 20467 B15R1.3858 CCOC(=O)CCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000765890 [0,1,0,1,0,0|2,0,0]=4 20468 B15R1.3858 CCOC(=O)COC1CC(CCC1C)C 34a_100011217446_100000188475 [0,1,0,1,0,0|1,0,0]=3 20469 B15R1.3858 CCOC(=O)COC1CC(CCC1C)C 7a_100011217446_100000188475 [0,1,0,1,0,0|1,0,0]=3 20470 B15R1.3859 CCOC(=O)CCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100011206558 [0,1,0,1,0,0|2,0,0]=4 20471 B15R1.3859 CCOC(=O)CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100011206558 [0,1,0,1,0,0|2,0,0]=4 20472 B15R1.3859 CCOC(=O)CCN1C[C@H](C[C@H]1CO)F 2230a_100015204000_100011206558 [0,1,0,1,0,0|2,0,0]=4 20473 B15R1.3859 CCOC(=O)CCN1C[C@H](C[C@H]1CO)F 269982a_100015204000_100011206558 [0,1,0,1,0,0|2,0,0]=4 20474 B15R1.3859 CCOC(=O)CCN1C[C@H](C[C@H]1CO)F 34a_100015204000_100000765890 [0,1,0,1,0,0|2,0,0]=4 20475 B15R1.3894 CCCNC(=O)CCCN1CCC[C@@H]1C 2230a_100020605311_100011194427 [0,1,0,1,0,0|2,0,0]=4 20476 B15R1.3894 CCCNC(=O)CCCN1CCC[C@@H]1C 269982a_100020605311_100011194427 [0,1,0,1,0,0|2,0,0]=4 20477 B15R1.3894 CCCNC(=O)CCCN1CCC[C@H]1C 2230a_100015189458_100011194427 [0,1,0,1,0,0|2,0,0]=4 20478 B15R1.3894 CCCNC(=O)CCCN1CCC[C@H]1C 269982a_100015189458_100011194427 [0,1,0,1,0,0|2,0,0]=4 20479 B15R1.3894 CCCOC(=O)COCC1CCCN1C 34a_100000743107_200011215008 [0,1,0,1,0,0|2,0,0]=4 20480 B15R1.3894 CCCOC(=O)OCOC1CCCC1C 34a_100011216460_200000139673 [0,1,0,1,0,0|2,0,0]=4 20481 B15R1.3894 CCCOC(=O)OCOC1CCCC1C 7a_100011216460_200000139673 [0,1,0,1,0,0|2,0,0]=4 20482 B15R1.3894 CCOCC(=O)NCCC1CCCN1C 240690a_100011219722_100000211967 [0,1,0,1,0,0|2,0,0]=4 20483 B15R1.3894 CCOCC(=O)NCCC1CCCN1C 527a_100011219722_100000211967 [0,1,0,1,0,0|2,0,0]=4 20484 B15R1.9725 CCOC(=O)CN1CCN(CC1CC)C 2230a_100011941019_100000188475 [0,1,0,1,0,0|2,0,0]=4 20485 B15R1.9725 CCOC(=O)CN1CCN(CC1CC)C 269982a_100011941019_100000188475 [0,1,0,1,0,0|2,0,0]=4 20486 B15R1.10329 CCOC(=O)CCCN1C(CCC1C)C 2230a_100000687148_100009991533 [0,1,0,1,0,0|1,0,0]=3 20487 B15R1.10329 CCOC(=O)CCCN1C(CCC1C)C 269982a_100000687148_100009991533 [0,1,0,1,0,0|1,0,0]=3 20488 B15R1.10329 CCOC(=O)CCCN1C(CCC1C)C 34a_100000687148_100009991533 [0,1,0,1,0,0|1,0,0]=3 20489 B15R1.10329 CCOC(=O)NCCN1C(CCC1C)C 269982a_100000687148_200011445536 [0,1,0,1,0,0|2,0,0]=4 20490 B15R1.10364 CCNC(=O)CCN1CCCCC(C1)O 2230a_100025706797_100000737597 [0,1,0,1,0,0|2,0,0]=4 20491 B15R1.10364 CCNC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000737597 [0,1,0,1,0,0|2,0,0]=4 20492 B15R1.10364 CCOC(=O)CCN1CCCCC(C1)O 2230a_100025706797_100011206558 [0,1,0,1,0,0|1,0,0]=3 20493 B15R1.10364 CCOC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100011206558 [0,1,0,1,0,0|1,0,0]=3 20494 B15R1.10364 CCOC(=O)CCN1CCOC[C@@H](C1)O 2230a_100016073750_100011206558 [0,1,0,1,0,0|2,0,0]=4 20495 B15R1.10364 CCOC(=O)CCN1CCOC[C@@H](C1)O 269982a_100016073750_100011206558 [0,1,0,1,0,0|2,0,0]=4 20496 B15R1.10422 CCOC(=O)CCCCC(=O)C1CCC1 1458a_100000209988_100000750268 [0,1,0,1,0,0|0,0,1]=3 20497 B15R1.10422 CCOC(=O)CCCCC(=O)C1CCC1 1458a_100011217402_100000749161 [0,1,0,1,0,0|0,0,1]=3 20498 B15R1.10422 CCOC(=O)CCCCC(=O)C1CCO1 1458a_100000089072_100000750268 [0,1,0,1,0,0|1,0,1]=4 20499 B15R1.10422 CCOC(=O)CCCCC(=O)C1COC1 1458a_100000758290_100000750268 [0,1,0,1,0,0|1,0,1]=4 20500 B15R1.10422 CCOC(=O)CCCCC(=O)C1COC1 1458a_100011217402_100000687716 [0,1,0,1,0,0|1,0,1]=4 20501 B15R1.10422 CCOC(=O)CCCCC(=O)N1CCC1 11a_100000754969_100011217402 [0,1,0,1,0,0|1,0,1]=4 20502 B15R1.10422 CCOC(=O)CCCCC(=O)N1CCC1 240690a_100000754969_100011217402 [0,1,0,1,0,0|1,0,1]=4 20503 B15R1.10422 CCOC(=O)CCCCC(=O)N1CCC1 527a_100000754969_100011217402 [0,1,0,1,0,0|1,0,1]=4 20504 B15R1.10422 CCOC(=O)CCCCN(C)C1CCC1 2230a_100000758072_100000750268 [0,1,0,1,0,0|1,0,0]=3 20505 B15R1.10422 CCOC(=O)CCCCN(C)C1CCC1 269982a_100000758072_100000750268 [0,1,0,1,0,0|1,0,0]=3 20506 B15R1.10422 CCOC(=O)CCCCN(C)C1CCC1 34a_100000758072_100000750268 [0,1,0,1,0,0|1,0,0]=3 20507 B15R1.10422 CCOC(=O)CCCCN(C)C1COC1 2230a_100102693430_100000750268 [0,1,0,1,0,0|2,0,0]=4 20508 B15R1.10422 CCOC(=O)CCCCN(C)C1COC1 269982a_100102693430_100000750268 [0,1,0,1,0,0|2,0,0]=4 20509 B15R1.10422 CCOC(=O)CCCNC(=O)C1CCC1 188690a_100000211256_100000209988 [0,1,0,1,0,0|1,0,1]=4 20510 B15R1.10422 CCOC(=O)CCCNC(C)C1CCC1 2230a_100016994624_100009991533 [0,1,0,1,0,0|1,0,0]=3 20511 B15R1.10422 CCOC(=O)CCCNC(C)C1CCC1 34a_100016994624_100009991533 [0,1,0,1,0,0|1,0,0]=3 20512 B15R1.10422 CCOC(=O)CCCOC(C)C1CCC1 34a_100000766398_100009991533 [0,1,0,1,0,0|1,0,0]=3 20513 B15R1.10422 CCOC(=O)CCCOC(C)C1CCC1 7a_100000766398_100011215271 [0,1,0,1,0,0|1,0,0]=3 20514 B15R1.10422 CCOC(=O)CCOC[C@@H](N)C1COC1 34a_217856628679_100000765890 [0,1,0,1,0,0|2,0,0]=4 20515 B15R1.10422 CCOC(=O)CCSCC(=O)C1CCC1 62a_100000686122_100000765890 [0,1,0,1,0,0|1,0,1]=4 20516 B15R1.10422 CCOC(=O)CCSCC(=O)C1CCC1 62a_100000765890_100000686122 [0,1,0,1,0,0|1,0,1]=4 20517 B15R1.10422 CCOC(=O)COCCC(=O)C1CCC1 1458a_100000209988_100000088970 [0,1,0,1,0,0|1,0,1]=4 20518 B15R1.10422 CCOC(=O)COCCN(C)C1CCC1 2230a_100000758072_100000088970 [0,1,0,1,0,0|2,0,0]=4 20519 B15R1.10422 CCOC(=O)COCCN(C)C1CCC1 269982a_100000758072_100000088970 [0,1,0,1,0,0|2,0,0]=4 20520 B15R1.10422 CCOC(=O)COCCN(C)C1CCC1 34a_100000758072_100000088970 [0,1,0,1,0,0|2,0,0]=4 20521 B15R1.10422 CCOC(=O)NCCOC(C)C1CCC1 7a_100000766398_200011445536 [0,1,0,1,0,0|2,0,0]=4 20522 B15R1.10424 CCOC(=O)CCCCC(=O)CC1CC1 1458a_100000738066_100000750268 [0,1,0,1,0,0|0,0,1]=3 20523 B15R1.10424 CCOC(=O)CCCCC(=O)CC1CC1 1458a_100011217402_100000742324 [0,1,0,1,0,0|0,0,1]=3 20524 B15R1.10424 CCOC(=O)CCCCC(=O)CC1CO1 1458a_100011217402_100011216344 [0,1,0,1,0,0|1,0,1]=4 20525 B15R1.10424 CCOC(=O)CCCCC(=O)CC1CS1 1458a_100011217402_100000031435 [0,1,0,1,0,0|1,0,1]=4 20526 B15R1.10424 CCOC(=O)CCCCC(=O)C[C@@H]1CO1 1458a_100011217402_100000745022 [0,1,0,1,0,0|1,0,1]=4 20527 B15R1.10424 CCOC(=O)CCCCC(=O)NC1CC1 1626a_100000212008_100011217402 [0,1,0,1,0,0|1,0,1]=4 20528 B15R1.10424 CCOC(=O)CCCCC(=O)NC1CC1 240690a_100000212008_100011217402 [0,1,0,1,0,0|1,0,1]=4 20529 B15R1.10424 CCOC(=O)CCCCC(=O)NC1CC1 527a_100000212008_100011217402 [0,1,0,1,0,0|1,0,1]=4 20530 B15R1.10424 CCOC(=O)CCCCN(C)CC1CC1 2230a_100000741881_100000750268 [0,1,0,1,0,0|1,0,0]=3 20531 B15R1.10424 CCOC(=O)CCCCN(C)CC1CC1 269982a_100000741881_100000750268 [0,1,0,1,0,0|1,0,0]=3 20532 B15R1.10424 CCOC(=O)CCCNC(=O)CC1CC1 188690a_100000211256_100000738066 [0,1,0,1,0,0|1,0,1]=4 20533 B15R1.10424 CCOC(=O)COCCC(=O)CC1CC1 1458a_100000738066_100000088970 [0,1,0,1,0,0|1,0,1]=4 20534 B15R1.10424 CCOC(=O)COCCN(C)CC1CC1 2230a_100000741881_100000088970 [0,1,0,1,0,0|2,0,0]=4 20535 B15R1.10424 CCOC(=O)COCCN(C)CC1CC1 269982a_100000741881_100000088970 [0,1,0,1,0,0|2,0,0]=4 20536 B15R1.11068 CCCOC1CN(C1)CCC(=O)OCC 269982a_200020626125_100011206558 [0,1,0,1,0,0|2,0,0]=4 20537 B15R1.11068 CCCOC1CN(C1)CCC(=O)OCC 34a_200020626125_100000765890 [0,1,0,1,0,0|2,0,0]=4 20538 B15R1.16362 CCNC(=O)CCNCC1(CCCC1)O 2230a_100000737848_100000737597 [0,1,0,1,0,0|2,0,0]=4 20539 B15R1.16362 CCNC(=O)CNCCC1(CCCC1)O 34a_100000719956_100000183381 [0,1,0,1,0,0|2,0,0]=4 20540 B15R1.16362 CCOC(=O)CCCNC1(CCOC1)C 2230a_100000693475_100009991533 [0,1,0,1,0,0|2,0,0]=4 20541 B15R1.16362 CCOC(=O)CCCOC1(CCCC1)C 34a_100000751722_100009991533 [0,1,0,1,0,0|1,0,0]=3 20542 B15R1.16362 CCOC(=O)CCCOC1(CCCC1)C 7a_100000751722_100011215271 [0,1,0,1,0,0|1,0,0]=3 20543 B15R1.16362 CCOC(=O)CCNCC1(CCCC1)O 2230a_100000737848_100011206558 [0,1,0,1,0,0|1,0,0]=3 20544 B15R1.16362 CCOC(=O)CCOCC1(CCCC1)N 34a_100000749328_100000765890 [0,1,0,1,0,0|1,0,0]=3 20545 B15R1.16362 CCOC(=O)CCOC[C@@]1(CCCN1)C 34a_100016195882_100000765890 [0,1,0,1,0,0|2,0,0]=4 20546 B15R1.16362 CCOC(=O)CNCCC1(CCCC1)O 34a_100000719956_100000188475 [0,1,0,1,0,0|1,0,0]=3 20547 B15R1.16362 CCOC(=O)NCCOC1(CCCC1)C 7a_100000751722_200011445536 [0,1,0,1,0,0|2,0,0]=4 20548 B15R1.36854 CCOC(=O)CCCCC(=O)C1CC1C 1458a_100000211227_100000750268 [0,1,0,1,0,0|0,0,1]=3 20549 B15R1.36854 CCOC(=O)CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000750268 [0,1,0,1,0,0|1,0,1]=4 20550 B15R1.36854 CCOC(=O)CCCNC(=O)C1CC1C 188690a_100000211256_100000211227 [0,1,0,1,0,0|1,0,1]=4 20551 B15R1.36854 CCOC(=O)COCCC(=O)C1CC1C 1458a_100000211227_100000088970 [0,1,0,1,0,0|1,0,1]=4 20552 B15R1.588 CCCC1CCCCN1C(=O)C(C)CC 11a_100000701414_100011192722 [0,1,0,1,0,0|2,0,0]=4 20553 B15R1.588 CCCC1CCCCN1C(=O)C(C)CC 1626a_100000701414_100011192722 [0,1,0,1,0,0|2,0,0]=4 20554 B15R1.588 CCCC1CCCCN1C(=O)C(C)CC 240690a_100000701414_100011192722 [0,1,0,1,0,0|2,0,0]=4 20555 B15R1.588 CCCC1CCCCN1C(=O)C(C)CC 527a_100000701414_100011192722 [0,1,0,1,0,0|2,0,0]=4 20556 B15R1.588 CCCC1CCCCN1C(=O)C(O)CC 240690a_100000701414_100011196387 [0,1,0,1,0,0|2,0,0]=4 20557 B15R1.588 CCCN1CCCCC1C(=O)C(C)CC 1458a_100000743559_100000758301 [0,1,0,1,0,0|2,0,0]=4 20558 B15R1.588 CCCN1CCCCC1C(=O)N(C)CC 240690a_100000225621_100000743559 [0,1,0,1,0,0|2,0,0]=4 20559 B15R1.1137 CNC1CCCCCCCCCCC1=O 2230a_106832991635_200009990614 [0,1,0,1,0,0|2,0,0]=4 20560 B15R1.1137 CNC1CCCCCCCCCCC1=O 34a_100102657272_200009990614 [0,1,0,1,0,0|2,0,0]=4 20561 B15R1.1137 CNC1CCCCCCCCCCC1=O 7a_106832991635_200009990614 [0,1,0,1,0,0|2,0,0]=4 20562 B15R1.1137 COC1CCCCCCCCCCC1=O 34a_100138415774_200009990614 [0,1,0,1,0,0|2,0,0]=4 20563 B15R1.1137 CSC1CCCCCCCCCCC1=O 62a_200000210301_200009990614 [0,1,0,1,0,0|2,0,0]=4 20564 B15R1.1137 CSC1CCCCCCCCCCC1=O 62a_200009990614_200000210301 [0,1,0,1,0,0|2,0,0]=4 20565 B15R1.1137 [13CH3]SC1CCCCCCCCCCC1=O 62a_200009990614_200025704644 [0,1,0,1,0,0|2,0,0]=4 20566 B15R1.1137 [13CH3]SC1CCCCCCCCCCC1=O 62a_200025704644_200009990614 [0,1,0,1,0,0|2,0,0]=4 20567 B15R1.1147 CCC1CCCCN1CC(=O)N(C)CC 2230a_100000210034_100000738999 [0,1,0,1,0,0|2,0,0]=4 20568 B15R1.1147 CCC1CCCCN1CC(=O)N(C)CC 269982a_100000210034_100000738999 [0,1,0,1,0,0|2,0,0]=4 20569 B15R1.1147 CCC1CCCCN1CC(=O)N(C)CC 34a_100000210034_100000738999 [0,1,0,1,0,0|2,0,0]=4 20570 B15R1.1321 C/C=C(\C)/C(=O)CCCC1CCCCC1 1458a_100020587367_100011713725 [0,1,0,1,0,0|1,0,1]=4 20571 B15R1.1321 CCC(C)C(=O)CCCC1CCCCC1 1458a_100000211478_100000758301 [0,1,0,1,0,0|1,0,0]=3 20572 B15R1.1321 CCC(C)C(=O)CCCC1CCCCC1 1458a_100011192722_100011713725 [0,1,0,1,0,0|1,0,0]=3 20573 B15R1.1321 CCC(C)C(=O)CCCN1CCCCC1 1458a_100000742516_100000758301 [0,1,0,1,0,0|2,0,0]=4 20574 B15R1.1321 CCC(C)C(=O)CCCN1CCCCC1 1458a_100011192722_100000690320 [0,1,0,1,0,0|2,0,0]=4 20575 B15R1.1321 CCC(C)C(=O)CCOC1CCCCC1 1458a_100011192722_100011211530 [0,1,0,1,0,0|2,0,0]=4 20576 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 11a_100000738074_100011192722 [0,1,0,1,0,0|2,0,0]=4 20577 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 1626a_100000738074_100011192722 [0,1,0,1,0,0|2,0,0]=4 20578 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 240690a_100000738074_100011192722 [0,1,0,1,0,0|2,0,0]=4 20579 B15R1.1321 CCC(C)C(=O)NCCC1CCCCC1 527a_100000738074_100011192722 [0,1,0,1,0,0|2,0,0]=4 20580 B15R1.1321 CCC(O)C(=O)CCCC1CCCCC1 1458a_100011196387_100011713725 [0,1,0,1,0,0|1,0,0]=3 20581 B15R1.1321 CCC(O)C(=O)CCCN1CCCCC1 1458a_100011196387_100000690320 [0,1,0,1,0,0|2,0,0]=4 20582 B15R1.1321 CCC(O)C(=O)CCOC1CCCCC1 1458a_100011196387_100011211530 [0,1,0,1,0,0|2,0,0]=4 20583 B15R1.1321 CCC(O)C(=O)NCCC1CCCCC1 240690a_100000738074_100011196387 [0,1,0,1,0,0|2,0,0]=4 20584 B15R1.1321 CCN(C)C(=O)CCCC1CCCCC1 11a_100000225621_100000211478 [0,1,0,1,0,0|1,0,0]=3 20585 B15R1.1321 CCN(C)C(=O)CCCC1CCCCC1 1626a_100000225621_100000211478 [0,1,0,1,0,0|1,0,0]=3 20586 B15R1.1321 CCN(C)C(=O)CCCC1CCCCC1 240690a_100000225621_100000211478 [0,1,0,1,0,0|1,0,0]=3 20587 B15R1.1321 CCN(C)C(=O)CCCC1CCCCC1 527a_100000225621_100000211478 [0,1,0,1,0,0|1,0,0]=3 20588 B15R1.1321 CCN(C)C(=O)CCCN1CCCCC1 240690a_100000225621_100000742516 [0,1,0,1,0,0|2,0,0]=4 20589 B15R1.1321 CCN(C)C(=O)CNCC1CCCCC1 2230a_100000210473_100000738999 [0,1,0,1,0,0|2,0,0]=4 20590 B15R1.1321 CCN(C)C(=O)CNCC1CCCCC1 34a_100000210473_100000738999 [0,1,0,1,0,0|2,0,0]=4 20591 B15R1.1321 CCN(C)C(=O)COCC1CCCCC1 34a_100000212181_100000738999 [0,1,0,1,0,0|2,0,0]=4 20592 B15R1.1321 CCN(C)C(=O)COCC1CCCCC1 7a_100000212181_100000738999 [0,1,0,1,0,0|2,0,0]=4 20593 B15R1.1321 CCN(C)C(=O)CSCC1CCCCC1 62a_100000211423_100000738999 [0,1,0,1,0,0|2,0,0]=4 20594 B15R1.1321 CCN(C)C(=O)CSCC1CCCCC1 62a_100000738999_100000211423 [0,1,0,1,0,0|2,0,0]=4 20595 B15R1.1321 CCN(C)C(=O)NCCC1CCCCC1 2708a_100000738074_100000225621 [0,1,0,1,0,0|2,0,0]=4 20596 B15R1.1321 CCN(C)C(=O)NCCC1CCCCC1 273464a_100000738074_100000225621 [0,1,0,1,0,0|2,0,0]=4 20597 B15R1.1321 CNC(=O)C(=O)CCCC1CCCCC1 1458a_100011218921_100011713725 [0,1,0,1,0,0|2,0,0]=4 20598 B15R1.1321 COC(C)C(=O)CCCC1CCCCC1 1458a_100000743197_100011713725 [0,1,0,1,0,0|2,0,0]=4 20599 B15R1.1321 CSC(C)C(=O)CCCC1CCCCC1 1458a_100000149566_100011713725 [0,1,0,1,0,0|2,0,0]=4 20600 B15R1.1321 O=C(CCCC1CCCCC1)C(O)CO 1458a_100011215603_100011713725 [0,1,0,1,0,0|2,0,0]=4 20601 B15R1.1323 CCC(C)C(=O)CCC1CCCCN1C 1458a_100000718493_100000758301 [0,1,0,1,0,0|2,0,0]=4 20602 B15R1.1323 CCC(C)C(=O)CCC1CCCCN1C 1458a_100011192722_100000211948 [0,1,0,1,0,0|2,0,0]=4 20603 B15R1.1323 CCC(C)C(=O)COC1CCCCC1C 1458a_100011223357_100000758301 [0,1,0,1,0,0|2,0,0]=4 20604 B15R1.1323 CCC(O)C(=O)CCC1CCCCN1C 1458a_100011196387_100000211948 [0,1,0,1,0,0|2,0,0]=4 20605 B15R1.1323 CCN(C)C(=O)CCC1CCCCN1C 240690a_100000225621_100000718493 [0,1,0,1,0,0|2,0,0]=4 20606 B15R1.1323 CCN(C)C(=O)CCC1CCCCN1C 527a_100000225621_100000718493 [0,1,0,1,0,0|2,0,0]=4 20607 B15R1.1323 CCN(C)C(=O)CCN1CCCCC1C 240690a_100000225621_100000727554 [0,1,0,1,0,0|2,0,0]=4 20608 B15R1.1323 CCN(C)C(=O)CNC1CCCCC1C 2230a_100000211402_100000738999 [0,1,0,1,0,0|2,0,0]=4 20609 B15R1.1323 CCN(C)C(=O)CNC1CCCCC1C 34a_100000211402_100000738999 [0,1,0,1,0,0|2,0,0]=4 20610 B15R1.1323 CCN(C)C(=O)COC1CCCCC1C 11a_100000225621_100011223357 [0,1,0,1,0,0|2,0,0]=4 20611 B15R1.1323 CCN(C)C(=O)COC1CCCCC1C 1626a_100000225621_100011223357 [0,1,0,1,0,0|2,0,0]=4 20612 B15R1.1323 CCN(C)C(=O)COC1CCCCC1C 240690a_100000225621_100011223357 [0,1,0,1,0,0|2,0,0]=4 20613 B15R1.1323 CCN(C)C(=O)COC1CCCCC1C 34a_100000211207_100000738999 [0,1,0,1,0,0|2,0,0]=4 20614 B15R1.1323 CCN(C)C(=O)COC1CCCCC1C 527a_100000225621_100011223357 [0,1,0,1,0,0|2,0,0]=4 20615 B15R1.1323 CCN(C)C(=O)COC1CCCCC1C 7a_100000211207_100000738999 [0,1,0,1,0,0|2,0,0]=4 20616 B15R1.1332 CCC(C)C(=O)NCCCC1CCCC1 11a_100000736752_100011192722 [0,1,0,1,0,0|2,0,0]=4 20617 B15R1.1332 CCC(C)C(=O)NCCCC1CCCC1 1626a_100000736752_100011192722 [0,1,0,1,0,0|2,0,0]=4 20618 B15R1.1332 CCC(C)C(=O)NCCCC1CCCC1 240690a_100000736752_100011192722 [0,1,0,1,0,0|2,0,0]=4 20619 B15R1.1332 CCC(C)C(=O)NCCCC1CCCC1 527a_100000736752_100011192722 [0,1,0,1,0,0|2,0,0]=4 20620 B15R1.1332 CCC(O)C(=O)NCCCC1CCCC1 240690a_100000736752_100011196387 [0,1,0,1,0,0|2,0,0]=4 20621 B15R1.1332 CCN(C)C(=O)CNCCC1CCCC1 2230a_100000739158_100000738999 [0,1,0,1,0,0|2,0,0]=4 20622 B15R1.1332 CCN(C)C(=O)CNCCC1CCCC1 34a_100000739158_100000738999 [0,1,0,1,0,0|2,0,0]=4 20623 B15R1.1332 CCN(C)C(=O)COCCC1CCCC1 34a_100000749090_100000738999 [0,1,0,1,0,0|2,0,0]=4 20624 B15R1.1332 CCN(C)C(=O)COCCC1CCCC1 7a_100000749090_100000738999 [0,1,0,1,0,0|2,0,0]=4 20625 B15R1.1332 CCN(C)C(=O)CSCCC1CCCC1 62a_100000738999_100000760354 [0,1,0,1,0,0|2,0,0]=4 20626 B15R1.1332 CCN(C)C(=O)CSCCC1CCCC1 62a_100000760354_100000738999 [0,1,0,1,0,0|2,0,0]=4 20627 B15R1.1332 CCN(C)C(=O)NCCCC1CCCC1 2708a_100000736752_100000225621 [0,1,0,1,0,0|2,0,0]=4 20628 B15R1.1332 CCN(C)C(=O)NCCCC1CCCC1 273464a_100000736752_100000225621 [0,1,0,1,0,0|2,0,0]=4 20629 B15R1.2772 CCC(C)C(=O)N1CCCCCCCC1 11a_100000039187_100011192722 [0,1,0,1,0,0|2,0,0]=4 20630 B15R1.2772 CCC(C)C(=O)N1CCCCCCCC1 1626a_100000039187_100011192722 [0,1,0,1,0,0|2,0,0]=4 20631 B15R1.2772 CCC(C)C(=O)N1CCCCCCCC1 240690a_100000039187_100011192722 [0,1,0,1,0,0|2,0,0]=4 20632 B15R1.2772 CCC(C)C(=O)N1CCCCCCCC1 527a_100000039187_100011192722 [0,1,0,1,0,0|2,0,0]=4 20633 B15R1.2772 CCC(O)C(=O)N1CCCCCCCC1 240690a_100000039187_100011196387 [0,1,0,1,0,0|2,0,0]=4 20634 B15R1.2792 CCC(C)C(=O)CCN1CCCCCC1 1458a_100000740320_100000758301 [0,1,0,1,0,0|2,0,0]=4 20635 B15R1.2792 CCC(C)C(=O)CCN1CCCCCC1 1458a_100011192722_100000722644 [0,1,0,1,0,0|2,0,0]=4 20636 B15R1.2792 CCC(C)C(=O)NCC1CCCCCC1 11a_100015204231_100011192722 [0,1,0,1,0,0|2,0,0]=4 20637 B15R1.2792 CCC(C)C(=O)NCC1CCCCCC1 1626a_100015204231_100011192722 [0,1,0,1,0,0|2,0,0]=4 20638 B15R1.2792 CCC(C)C(=O)NCC1CCCCCC1 240690a_100015204231_100011192722 [0,1,0,1,0,0|2,0,0]=4 20639 B15R1.2792 CCC(C)C(=O)NCC1CCCCCC1 527a_100015204231_100011192722 [0,1,0,1,0,0|2,0,0]=4 20640 B15R1.2792 CCC(O)C(=O)CCN1CCCCCC1 1458a_100011196387_100000722644 [0,1,0,1,0,0|2,0,0]=4 20641 B15R1.2792 CCC(O)C(=O)NCC1CCCCCC1 240690a_100015204231_100011196387 [0,1,0,1,0,0|2,0,0]=4 20642 B15R1.2792 CCN(C)C(=O)CCN1CCCCCC1 240690a_100000225621_100000740320 [0,1,0,1,0,0|2,0,0]=4 20643 B15R1.2792 CCN(C)C(=O)CNC1CCCCCC1 2230a_100000210984_100000738999 [0,1,0,1,0,0|2,0,0]=4 20644 B15R1.2792 CCN(C)C(=O)CNC1CCCCCC1 34a_100000210984_100000738999 [0,1,0,1,0,0|2,0,0]=4 20645 B15R1.2792 CCN(C)C(=O)COC1CCCCCC1 34a_100000210887_100000738999 [0,1,0,1,0,0|2,0,0]=4 20646 B15R1.2792 CCN(C)C(=O)COC1CCCCCC1 7a_100000210887_100000738999 [0,1,0,1,0,0|2,0,0]=4 20647 B15R1.2792 CCN(C)C(=O)CSC1CCCCCC1 62a_100000738999_100011217769 [0,1,0,1,0,0|2,0,0]=4 20648 B15R1.2792 CCN(C)C(=O)CSC1CCCCCC1 62a_100011217769_100000738999 [0,1,0,1,0,0|2,0,0]=4 20649 B15R1.2792 CCN(C)C(=O)NCC1CCCCCC1 2708a_100015204231_100000225621 [0,1,0,1,0,0|2,0,0]=4 20650 B15R1.2792 CCN(C)C(=O)NCC1CCCCCC1 273464a_100015204231_100000225621 [0,1,0,1,0,0|2,0,0]=4 20651 B15R1.2966 CCC(C)C(=O)NC1CCCCCCC1 11a_100000211152_100011192722 [0,1,0,1,0,0|2,0,0]=4 20652 B15R1.2966 CCC(C)C(=O)NC1CCCCCCC1 1626a_100000211152_100011192722 [0,1,0,1,0,0|2,0,0]=4 20653 B15R1.2966 CCC(C)C(=O)NC1CCCCCCC1 240690a_100000211152_100011192722 [0,1,0,1,0,0|2,0,0]=4 20654 B15R1.2966 CCC(C)C(=O)NC1CCCCCCC1 527a_100000211152_100011192722 [0,1,0,1,0,0|2,0,0]=4 20655 B15R1.2966 CCC(O)C(=O)NC1CCCCCCC1 240690a_100000211152_100011196387 [0,1,0,1,0,0|2,0,0]=4 20656 B15R1.2966 CCN(C)C(=O)CN1CCCCCCC1 2230a_100000211400_100000738999 [0,1,0,1,0,0|2,0,0]=4 20657 B15R1.2966 CCN(C)C(=O)CN1CCCCCCC1 269982a_100000211400_100000738999 [0,1,0,1,0,0|2,0,0]=4 20658 B15R1.2966 CCN(C)C(=O)CN1CCCCCCC1 34a_100000211400_100000738999 [0,1,0,1,0,0|2,0,0]=4 20659 B15R1.2966 CCN(C)C(=O)NC1CCCCCCC1 2708a_100000211152_100000225621 [0,1,0,1,0,0|2,0,0]=4 20660 B15R1.2966 CCN(C)C(=O)NC1CCCCCCC1 273464a_100000211152_100000225621 [0,1,0,1,0,0|2,0,0]=4 20661 B15R1.9279 CCCCCCCNC1CCN(C1=O)C 2230a_100000229938_100000755940 [0,1,0,1,0,0|2,0,0]=4 20662 B15R1.9279 CCCCCCCOC1CCN(C1=O)C 34a_100000210272_100000755940 [0,1,0,1,0,0|2,0,0]=4 20663 B15R1.9279 CCCCCCCOC1CCN(C1=O)C 7a_100000210272_100000755940 [0,1,0,1,0,0|2,0,0]=4 20664 B15R1.9279 CCCCCCCSC1CCN(C1=O)C 62a_100000210614_100000755940 [0,1,0,1,0,0|2,0,0]=4 20665 B15R1.9279 CCCCCCCSC1CCN(C1=O)C 62a_100000755940_100000210316 [0,1,0,1,0,0|2,0,0]=4 20666 B15R1.9279 CCCCCCOCC1CCN(C1=O)C 34a_100009823153_100000210314 [0,1,0,1,0,0|2,0,0]=4 20667 B15R1.9714 C#CCCCCCCCC(=O)C1CCO1 1458a_100000089072_100153394163 [0,1,0,1,0,0|0,0,2]=4 20668 B15R1.9714 C=CCCCCCCCC(=O)C1CCO1 1458a_100000089072_100012355270 [0,1,0,1,0,0|0,0,2]=4 20669 B15R1.9714 CCCCC#CCCCC(=O)C1CCO1 1458a_100000089072_200000047210 [0,1,0,1,0,0|0,0,2]=4 20670 B15R1.9714 CCCCCCCCCC(=O)C1CCC1 1458a_100000209988_100000210670 [0,1,0,1,0,0|1,0,0]=3 20671 B15R1.9714 CCCCCCCCCC(=O)C1CCC1 1458a_100000210558_100000749161 [0,1,0,1,0,0|1,0,0]=3 20672 B15R1.9714 CCCCCCCCCC(=O)C1CCO1 1458a_100000089072_100000210670 [0,1,0,1,0,0|0,0,0]=2 20673 B15R1.9714 CCCCCCCCCC(=O)C1COC1 1458a_100000210558_100000687716 [0,1,0,1,0,0|1,0,0]=3 20674 B15R1.9714 CCCCCCCCCC(=O)C1COC1 1458a_100000758290_100000210670 [0,1,0,1,0,0|1,0,0]=3 20675 B15R1.9714 CCCCCCCCCC(=O)N1CCC1 11a_100000754969_100000210558 [0,1,0,1,0,0|1,0,0]=3 20676 B15R1.9714 CCCCCCCCCC(=O)N1CCC1 240690a_100000754969_100000210558 [0,1,0,1,0,0|1,0,0]=3 20677 B15R1.9714 CCCCCCCCCC(=O)N1CCC1 527a_100000754969_100000210558 [0,1,0,1,0,0|1,0,0]=3 20678 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 11a_100000229939_100000209988 [0,1,0,1,0,0|2,0,0]=4 20679 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 1626a_100000229939_100000209988 [0,1,0,1,0,0|2,0,0]=4 20680 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 240690a_100000229939_100000209988 [0,1,0,1,0,0|2,0,0]=4 20681 B15R1.9714 CCCCCCCCNC(=O)C1CCC1 527a_100000229939_100000209988 [0,1,0,1,0,0|2,0,0]=4 20682 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 11a_100000229939_100000089072 [0,1,0,1,0,0|1,0,0]=3 20683 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 1626a_100000229939_100000089072 [0,1,0,1,0,0|1,0,0]=3 20684 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 240690a_100000229939_100000089072 [0,1,0,1,0,0|1,0,0]=3 20685 B15R1.9714 CCCCCCCCNC(=O)C1CCO1 527a_100000229939_100000089072 [0,1,0,1,0,0|1,0,0]=3 20686 B15R1.9714 CCCCCCCCNC(=O)C1COC1 11a_100000229939_100000758290 [0,1,0,1,0,0|2,0,0]=4 20687 B15R1.9714 CCCCCCCCNC(=O)C1COC1 1626a_100000229939_100000758290 [0,1,0,1,0,0|2,0,0]=4 20688 B15R1.9714 CCCCCCCCNC(=O)C1COC1 240690a_100000229939_100000758290 [0,1,0,1,0,0|2,0,0]=4 20689 B15R1.9714 CCCCCCCCNC(=O)C1COC1 527a_100000229939_100000758290 [0,1,0,1,0,0|2,0,0]=4 20690 B15R1.9714 CCCCCCCCNC(=O)N1CCC1 2708a_100000229939_100000754969 [0,1,0,1,0,0|2,0,0]=4 20691 B15R1.9714 CCCCCCCCNC(=O)N1CCC1 273464a_100000229939_100000754969 [0,1,0,1,0,0|2,0,0]=4 20692 B15R1.9714 CCCCCCCNCC(=O)C1CCC1 2230a_100000229938_100000686122 [0,1,0,1,0,0|2,0,0]=4 20693 B15R1.9714 CCCCCCCNCC(=O)N1CCC1 2230a_100000229938_100000185095 [0,1,0,1,0,0|2,0,0]=4 20694 B15R1.9714 CCCCCCCOCC(=O)C1CCC1 34a_100000210272_100000686122 [0,1,0,1,0,0|2,0,0]=4 20695 B15R1.9714 CCCCCCCOCC(=O)C1CCC1 7a_100000210272_100000686122 [0,1,0,1,0,0|2,0,0]=4 20696 B15R1.9714 CCCCCCCOCC(=O)N1CCC1 34a_100000210272_100000185095 [0,1,0,1,0,0|2,0,0]=4 20697 B15R1.9714 CCCCCCCOCC(=O)N1CCC1 7a_100000210272_100000185095 [0,1,0,1,0,0|2,0,0]=4 20698 B15R1.9714 CCCCCCCSCC(=O)C1CCC1 62a_100000210614_100000686122 [0,1,0,1,0,0|2,0,0]=4 20699 B15R1.9714 CCCCCCCSCC(=O)C1CCC1 62a_100000686122_100000210316 [0,1,0,1,0,0|2,0,0]=4 20700 B15R1.9714 CCCCCCCSCC(=O)N1CCC1 62a_100000185095_100000210316 [0,1,0,1,0,0|2,0,0]=4 20701 B15R1.9714 CCCCCCCSCC(=O)N1CCC1 62a_100000210614_100000185095 [0,1,0,1,0,0|2,0,0]=4 20702 B15R1.9714 CCCCOCCCNC(=O)C1CCO1 1626a_200000211371_100000089072 [0,1,0,1,0,0|2,0,0]=4 20703 B15R1.9714 CCCCOCCCNC(=O)C1CCO1 240690a_200000211371_100000089072 [0,1,0,1,0,0|2,0,0]=4 20704 B15R1.9714 CCCCOCCCNC(=O)C1CCO1 527a_200000211371_100000089072 [0,1,0,1,0,0|2,0,0]=4 20705 B15R1.9714 O=C(CCCCCCCCO)C1CCC1 1458a_100000209988_100000033203 [0,1,0,1,0,0|2,0,0]=4 20706 B15R1.9714 O=C(CCCCCCCCO)C1CCO1 1458a_100000089072_100000033203 [0,1,0,1,0,0|1,0,0]=3 20707 B15R1.9714 O=C(CCCCCCCCO)C1COC1 1458a_100000758290_100000033203 [0,1,0,1,0,0|2,0,0]=4 20708 B15R1.9714 O=C(CCCCCCCCO)N1CCC1 240690a_100000754969_100000015970 [0,1,0,1,0,0|2,0,0]=4 20709 B15R1.9714 O=C(NCCCCCCCO)C1CCO1 240690a_100011996573_100000089072 [0,1,0,1,0,0|2,0,0]=4 20710 B15R1.9715 CC1(CC1)C(=O)CCCCCCCCO 1458a_100000756474_100000033203 [0,1,0,1,0,0|2,0,0]=4 20711 B15R1.9715 CCCCCCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210670 [0,1,0,1,0,0|1,0,0]=3 20712 B15R1.9715 CCCCCCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210670 [0,1,0,1,0,0|1,0,0]=3 20713 B15R1.9715 CCCCCCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210670 [0,1,0,1,0,0|1,0,0]=3 20714 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C 11a_100000229939_100000756474 [0,1,0,1,0,0|2,0,0]=4 20715 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C 1626a_100000229939_100000756474 [0,1,0,1,0,0|2,0,0]=4 20716 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C 240690a_100000229939_100000756474 [0,1,0,1,0,0|2,0,0]=4 20717 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)C 527a_100000229939_100000756474 [0,1,0,1,0,0|2,0,0]=4 20718 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F 11a_100000229939_100000055089 [0,1,0,1,0,0|2,0,0]=4 20719 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F 1626a_100000229939_100000055089 [0,1,0,1,0,0|2,0,0]=4 20720 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F 240690a_100000229939_100000055089 [0,1,0,1,0,0|2,0,0]=4 20721 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)F 527a_100000229939_100000055089 [0,1,0,1,0,0|2,0,0]=4 20722 B15R1.9715 CCCCCCCCNC(=O)C1(CC1)O 240690a_100000229939_100000241761 [0,1,0,1,0,0|2,0,0]=4 20723 B15R1.9715 O=C(CCCCCCCCO)C1(CC1)F 1458a_100000055089_100000033203 [0,1,0,1,0,0|2,0,0]=4 20724 B15R1.9715 O=C(CCCCCCCCO)C1(CC1)O 1458a_100000241761_100000033203 [0,1,0,1,0,0|2,0,0]=4 20725 B15R1.12032 CCCCCCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210681 [0,1,0,1,0,0|2,0,0]=4 20726 B15R1.12032 CCCCCCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210681 [0,1,0,1,0,0|2,0,0]=4 20727 B15R1.12032 CCCCCCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210314 [0,1,0,1,0,0|2,0,0]=4 20728 B15R1.12032 CCCCCCNC1CCN(C(=O)C1)C 34a_100000126938_100000210314 [0,1,0,1,0,0|2,0,0]=4 20729 B15R1.24982 CCCCCCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210314 [0,1,0,1,0,0|2,0,0]=4 20730 B15R1.24982 CCCCCCN1CCC(=O)N(CC1)C 269982a_100020591582_100000210757 [0,1,0,1,0,0|2,0,0]=4 20731 B15R1.24982 CCCCCCN1CCC(=O)N(CC1)C 34a_100020591582_100000210314 [0,1,0,1,0,0|2,0,0]=4 20732 B15R1.40557 CC1CC1C(=O)CCCCCCCCO 1458a_100000211227_100000033203 [0,1,0,1,0,0|2,0,0]=4 20733 B15R1.40557 CCCCCCCCCC(=O)C1CC1C 1458a_100000211227_100000210670 [0,1,0,1,0,0|1,0,0]=3 20734 B15R1.40557 CCCCCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210670 [0,1,0,1,0,0|1,0,0]=3 20735 B15R1.40557 CCCCCCCCNC(=O)C1CC1C 11a_100000229939_100000211227 [0,1,0,1,0,0|2,0,0]=4 20736 B15R1.40557 CCCCCCCCNC(=O)C1CC1C 1626a_100000229939_100000211227 [0,1,0,1,0,0|2,0,0]=4 20737 B15R1.40557 CCCCCCCCNC(=O)C1CC1C 527a_100000229939_100000211227 [0,1,0,1,0,0|2,0,0]=4 20738 B15R1.40557 CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000229939_100015396687 [0,1,0,1,0,0|2,0,0]=4 20739 B15R1.40557 CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000229939_100015396687 [0,1,0,1,0,0|2,0,0]=4 20740 B15R1.40557 CCCCCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000229939_100015396687 [0,1,0,1,0,0|2,0,0]=4 20741 B15R1.40557 O=C(CCCCCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000033203 [0,1,0,1,0,0|2,0,0]=4 20742 B15R1.31 CCCCCCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210757 [0,1,0,1,0,0|1,0,1]=4 20743 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 11a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 20744 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 240690a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 20745 B15R1.31 CCCCCCC(=O)N1CCOC(=O)C1 527a_100000131268_100102632555 [0,1,0,1,0,0|1,0,1]=4 20746 B15R1.31 CCCCCCC(C)N1CCNC(=O)C1 2230a_100000184651_100011215978 [0,1,0,1,0,0|2,0,0]=4 20747 B15R1.31 CCCCCCC(C)N1CCNC(=O)C1 270004a_100000184651_100000210826 [0,1,0,1,0,0|2,0,0]=4 20748 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 2230a_100000131268_100011215978 [0,1,0,1,0,0|1,0,0]=3 20749 B15R1.31 CCCCCCC(C)N1CCOC(=O)C1 270004a_100000131268_100000210826 [0,1,0,1,0,0|1,0,0]=3 20750 B15R1.89 CCCC(=O)CCC(C)N1CCCCC1 1458a_100015185227_100000210303 [0,1,0,1,0,0|2,0,0]=4 20751 B15R1.89 CCCC(=O)CN[C@H](C)C1CCCCC1 2230a_100025707633_100000747444 [0,1,0,1,0,0|2,0,0]=4 20752 B15R1.89 CCCC(=O)COC(C)C1CCCCC1 7a_100011216961_100000747444 [0,1,0,1,0,0|2,0,0]=4 20753 B15R1.89 CCNC(=O)CCC(=O)C1CCCCC1 1458a_100000199579_100000210327 [0,1,0,1,0,0|1,0,1]=4 20754 B15R1.89 CCNC(=O)CCC(C)N1CCCCC1 240690a_100015525214_100015185227 [0,1,0,1,0,0|2,0,0]=4 20755 B15R1.89 CCNC(=O)CCN(C)C1CCCCC1 2230a_100000207522_100000737597 [0,1,0,1,0,0|2,0,0]=4 20756 B15R1.89 CCNC(=O)CCN(C)C1CCCCC1 269982a_100000207522_100000737597 [0,1,0,1,0,0|2,0,0]=4 20757 B15R1.89 CCNC(=O)CN[C@H](C)C1CCCCC1 2230a_100025707633_100000183381 [0,1,0,1,0,0|2,0,0]=4 20758 B15R1.89 CCNC(=O)CN[C@H](C)C1CCCCC1 34a_100025707633_100000183381 [0,1,0,1,0,0|2,0,0]=4 20759 B15R1.89 CCNC(=O)COC(C)C1CCCCC1 34a_100011216961_100000183381 [0,1,0,1,0,0|2,0,0]=4 20760 B15R1.89 CCNC(=O)COC(C)C1CCCCC1 7a_100011216961_100000183381 [0,1,0,1,0,0|2,0,0]=4 20761 B15R1.89 CCOC(=O)CCC(=O)C1CCCCC1 1458a_100000183558_100000210327 [0,1,0,1,0,0|0,0,1]=3 20762 B15R1.89 CCOC(=O)CCC(=O)C1CCCOC1 1458a_100000183558_100000693364 [0,1,0,1,0,0|1,0,1]=4 20763 B15R1.89 CCOC(=O)CCC(=O)C1CCOCC1 1458a_100000183558_100011324220 [0,1,0,1,0,0|1,0,1]=4 20764 B15R1.89 CCOC(=O)CCC(C)N1CCCOC1 2230a_100000131196_100000748298 [0,1,0,1,0,0|2,0,0]=4 20765 B15R1.89 CCOC(=O)CCC(C)N1CCCOC1 269982a_100000131196_100000748298 [0,1,0,1,0,0|2,0,0]=4 20766 B15R1.89 CCOC(=O)CCC(C)N1CCCOC1 34a_100000131196_100000748298 [0,1,0,1,0,0|2,0,0]=4 20767 B15R1.89 CCOC(=O)CCC(C)N1CCOCC1 2230a_100015191051_100000748298 [0,1,0,1,0,0|2,0,0]=4 20768 B15R1.89 CCOC(=O)CCC(C)N1CCOCC1 269982a_100015191051_100000748298 [0,1,0,1,0,0|2,0,0]=4 20769 B15R1.89 CCOC(=O)CCC(C)N1CCOCC1 34a_100015191051_100000748298 [0,1,0,1,0,0|2,0,0]=4 20770 B15R1.89 CCOC(=O)CCC(C)N1CCSCC1 2230a_100000737611_100000748298 [0,1,0,1,0,0|2,0,0]=4 20771 B15R1.89 CCOC(=O)CCC(C)N1CCSCC1 269982a_100000737611_100000748298 [0,1,0,1,0,0|2,0,0]=4 20772 B15R1.89 CCOC(=O)CCN(C)C1CCCCC1 2230a_100000207522_100011206558 [0,1,0,1,0,0|1,0,0]=3 20773 B15R1.89 CCOC(=O)CCN(C)C1CCCCC1 269982a_100000207522_100011206558 [0,1,0,1,0,0|1,0,0]=3 20774 B15R1.89 CCOC(=O)CCN(C)C1CCCCC1 269982a_100000745921_100000210327 [0,1,0,1,0,0|1,0,0]=3 20775 B15R1.89 CCOC(=O)CCN(C)C1CCCCC1 34a_100000207522_100000765890 [0,1,0,1,0,0|1,0,0]=3 20776 B15R1.89 CCOC(=O)CCN(C)C1CCCOC1 269982a_100000745921_100000693364 [0,1,0,1,0,0|2,0,0]=4 20777 B15R1.89 CCOC(=O)CCN(C)C1CCOCC1 2230a_100020587155_100011206558 [0,1,0,1,0,0|2,0,0]=4 20778 B15R1.89 CCOC(=O)CCN(C)C1CCOCC1 269982a_100000745921_100011324220 [0,1,0,1,0,0|2,0,0]=4 20779 B15R1.89 CCOC(=O)CCN(C)C1CCOCC1 269982a_100020587155_100011206558 [0,1,0,1,0,0|2,0,0]=4 20780 B15R1.89 CCOC(=O)CCN(C)C1CCOCC1 34a_100020587155_100000765890 [0,1,0,1,0,0|2,0,0]=4 20781 B15R1.89 CCOC(=O)CCN(C)C1CCSCC1 2230a_100015184757_100011206558 [0,1,0,1,0,0|2,0,0]=4 20782 B15R1.89 CCOC(=O)CCN(C)C1CCSCC1 269982a_100000745921_100000069128 [0,1,0,1,0,0|2,0,0]=4 20783 B15R1.89 CCOC(=O)CCN(C)C1CCSCC1 269982a_100015184757_100011206558 [0,1,0,1,0,0|2,0,0]=4 20784 B15R1.89 CCOC(=O)CCN(C)C1CCSCC1 34a_100015184757_100000765890 [0,1,0,1,0,0|2,0,0]=4 20785 B15R1.89 CCOC(=O)CNC(=O)C1CCCCC1 188690a_100000741813_100000210647 [0,1,0,1,0,0|1,0,1]=4 20786 B15R1.89 CCOC(=O)CN[C@H](C)C1CCCCC1 2230a_100025707633_100000188475 [0,1,0,1,0,0|1,0,0]=3 20787 B15R1.89 CCOC(=O)CN[C@H](C)C1CCCCC1 34a_100025707633_100000188475 [0,1,0,1,0,0|1,0,0]=3 20788 B15R1.89 CCOC(=O)COC(C)C1CCCCC1 34a_100011216961_100000188475 [0,1,0,1,0,0|1,0,0]=3 20789 B15R1.89 CCOC(=O)COC(C)C1CCCCC1 7a_100011216961_100000188475 [0,1,0,1,0,0|1,0,0]=3 20790 B15R1.89 CCOC(=O)COC(C)C1CCCNC1 34a_100000740858_100000188475 [0,1,0,1,0,0|2,0,0]=4 20791 B15R1.89 CCOC(=O)COC(C)C1CCNCC1 34a_100011728446_100000188475 [0,1,0,1,0,0|2,0,0]=4 20792 B15R1.89 CCOC(=O)CO[C@H](C)C1CCOCC1 34a_100000703848_100000188475 [0,1,0,1,0,0|2,0,0]=4 20793 B15R1.89 CCOC(=O)CO[C@H](C)C1CCOCC1 7a_100000703848_100000188475 [0,1,0,1,0,0|2,0,0]=4 20794 B15R1.89 CCOC(=O)NCC(=O)C1CCCCC1 1458a_100000190774_100000210327 [0,1,0,1,0,0|1,0,1]=4 20795 B15R1.796 CCNC(=O)CCC(=O)CC1CCCC1 1458a_100000199579_100000740388 [0,1,0,1,0,0|1,0,1]=4 20796 B15R1.796 CCNC(=O)CNC(C)CC1CCCC1 270004a_100016988866_100000692464 [0,1,0,1,0,0|2,0,0]=4 20797 B15R1.796 CCOC(=O)CCC(=O)CC1CCCC1 1458a_100000183558_100000740388 [0,1,0,1,0,0|0,0,1]=3 20798 B15R1.796 CCOC(=O)CCC(=O)CC1CCCO1 1458a_100000183558_100000203698 [0,1,0,1,0,0|1,0,1]=4 20799 B15R1.796 CCOC(=O)CCC(=O)CC1CCOC1 1458a_100000183558_100000702531 [0,1,0,1,0,0|1,0,1]=4 20800 B15R1.796 CCOC(=O)CCC(=O)NC1CCCC1 11a_100000211070_100000183558 [0,1,0,1,0,0|1,0,1]=4 20801 B15R1.796 CCOC(=O)CCC(=O)NC1CCCC1 1626a_100000211070_100000183558 [0,1,0,1,0,0|1,0,1]=4 20802 B15R1.796 CCOC(=O)CCC(=O)NC1CCCC1 240690a_100000211070_100000183558 [0,1,0,1,0,0|1,0,1]=4 20803 B15R1.796 CCOC(=O)CCC(C)NC1CCCC1 2230a_100000211070_100000748298 [0,1,0,1,0,0|1,0,0]=3 20804 B15R1.796 CCOC(=O)CCC(C)NC1CCCC1 34a_100000211070_100000748298 [0,1,0,1,0,0|1,0,0]=3 20805 B15R1.796 CCOC(=O)CCC(C)N[C@@H]1CCOC1 2230a_200015188469_100000748298 [0,1,0,1,0,0|2,0,0]=4 20806 B15R1.796 CCOC(=O)CCC(C)N[C@H]1CCOC1 2230a_100015188467_100000748298 [0,1,0,1,0,0|2,0,0]=4 20807 B15R1.796 CCOC(=O)CCC(C)N[C@H]1CCOC1 34a_100015188467_100000748298 [0,1,0,1,0,0|2,0,0]=4 20808 B15R1.796 CCOC(=O)CCC(C)OC1CCCC1 34a_100000210269_100000748298 [0,1,0,1,0,0|1,0,0]=3 20809 B15R1.796 CCOC(=O)CCC(C)OC1CCCC1 7a_100000210269_100000748298 [0,1,0,1,0,0|1,0,0]=3 20810 B15R1.796 CCOC(=O)CCC(C)OC1CCCO1 34a_100000085407_100000748298 [0,1,0,1,0,0|2,0,0]=4 20811 B15R1.796 CCOC(=O)CCC(C)OC1CCSC1 7a_100011232664_100000748298 [0,1,0,1,0,0|2,0,0]=4 20812 B15R1.796 CCOC(=O)CCC(C)O[C@H]1CCOC1 34a_100000717292_100000748298 [0,1,0,1,0,0|2,0,0]=4 20813 B15R1.796 CCOC(=O)CCC(C)SC1CCCC1 62a_100000748298_100000179811 [0,1,0,1,0,0|1,0,0]=3 20814 B15R1.796 CCOC(=O)CCC(C)SC1CCCC1 62a_100011217020_100000748298 [0,1,0,1,0,0|1,0,0]=3 20815 B15R1.796 CCOC(=O)CCC(C)SC1CCOC1 62a_100000748298_100000690089 [0,1,0,1,0,0|2,0,0]=4 20816 B15R1.796 CCOC(=O)CCN(C)CC1CCCC1 2230a_100000745921_100000740388 [0,1,0,1,0,0|1,0,0]=3 20817 B15R1.796 CCOC(=O)CCN(C)CC1CCCC1 269982a_100000745921_100000740388 [0,1,0,1,0,0|1,0,0]=3 20818 B15R1.796 CCOC(=O)CCN(C)CC1CCCO1 2230a_100000745921_100000203698 [0,1,0,1,0,0|2,0,0]=4 20819 B15R1.796 CCOC(=O)CCN(C)CC1CCCO1 2230a_100102946541_100011206558 [0,1,0,1,0,0|2,0,0]=4 20820 B15R1.796 CCOC(=O)CCN(C)CC1CCCO1 269982a_100000745921_100000183445 [0,1,0,1,0,0|2,0,0]=4 20821 B15R1.796 CCOC(=O)CCN(C)CC1CCCO1 269982a_100102946541_100011206558 [0,1,0,1,0,0|2,0,0]=4 20822 B15R1.796 CCOC(=O)CCN(C)CC1CCCO1 34a_100102946541_100000765890 [0,1,0,1,0,0|2,0,0]=4 20823 B15R1.796 CCOC(=O)CCN(C)CC1CCOC1 2230a_100000684583_100011206558 [0,1,0,1,0,0|2,0,0]=4 20824 B15R1.796 CCOC(=O)CCN(C)CC1CCOC1 2230a_100000745921_100000702531 [0,1,0,1,0,0|2,0,0]=4 20825 B15R1.796 CCOC(=O)CCN(C)CC1CCOC1 269982a_100000684583_100011206558 [0,1,0,1,0,0|2,0,0]=4 20826 B15R1.796 CCOC(=O)CCN(C)CC1CCOC1 269982a_100000745921_100000702531 [0,1,0,1,0,0|2,0,0]=4 20827 B15R1.796 CCOC(=O)CCN(C)CC1CCOC1 34a_100000684583_100000765890 [0,1,0,1,0,0|2,0,0]=4 20828 B15R1.796 CCOC(=O)CNC(=O)CC1CCCC1 188690a_100000741813_100000210891 [0,1,0,1,0,0|1,0,1]=4 20829 B15R1.796 CCOC(=O)NCC(=O)CC1CCCC1 1458a_100000190774_100000740388 [0,1,0,1,0,0|1,0,1]=4 20830 B15R1.2148 CCCCCCC(C)NCC(=O)C1CC1 2230a_100000210919_100000746382 [0,1,0,1,0,0|2,0,0]=4 20831 B15R1.2148 CCCCCCC(C)NCC(=O)C1CC1 34a_100000210919_100000746382 [0,1,0,1,0,0|2,0,0]=4 20832 B15R1.2148 CCCCCCC(C)OCC(=O)C1CC1 34a_100000210265_100000746382 [0,1,0,1,0,0|2,0,0]=4 20833 B15R1.2148 CCCCCCC(C)OCC(=O)C1CC1 34a_100000686663_100011215978 [0,1,0,1,0,0|2,0,0]=4 20834 B15R1.2148 CCCCCCC(C)OCC(=O)C1CC1 7a_100000210265_100000746382 [0,1,0,1,0,0|2,0,0]=4 20835 B15R1.2148 CCCCCCC(C)SCC(=O)C1CC1 62a_100000746382_100011215978 [0,1,0,1,0,0|2,0,0]=4 20836 B15R1.2148 CCCCCCC(C)SCC(=O)C1CC1 62a_100011215978_100000746382 [0,1,0,1,0,0|2,0,0]=4 20837 B15R1.3974 CCCCCCC(=O)CN1CCOC1=O 1458a_100011227918_100000210757 [0,1,0,1,0,0|1,0,1]=4 20838 B15R1.3974 CCCCCCC(C)NC1CCCC1=O 2230a_100000210919_100000211823 [0,1,0,1,0,0|2,0,0]=4 20839 B15R1.3974 CCCCCCC(C)NC1CCCC1=O 34a_100000210919_100000709159 [0,1,0,1,0,0|2,0,0]=4 20840 B15R1.3974 CCCCCCC(C)NC1CCNC1=O 2230a_100016995588_100011215978 [0,1,0,1,0,0|2,0,0]=4 20841 B15R1.3974 CCCCCCC(C)NC1CCNC1=O 270004a_100016995588_100000210826 [0,1,0,1,0,0|2,0,0]=4 20842 B15R1.3974 CCCCCCC(C)NC1CCNC1=O 34a_100016995588_100011215978 [0,1,0,1,0,0|2,0,0]=4 20843 B15R1.3974 CCCCCCC(C)NC1CCOC1=O 2230a_100000210919_100000211211 [0,1,0,1,0,0|1,0,0]=3 20844 B15R1.3974 CCCCCCC(C)NC1CCOC1=O 34a_100000210919_100000211211 [0,1,0,1,0,0|1,0,0]=3 20845 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 34a_100000210265_100000709159 [0,1,0,1,0,0|2,0,0]=4 20846 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 34a_200000719330_100011215978 [0,1,0,1,0,0|2,0,0]=4 20847 B15R1.3974 CCCCCCC(C)OC1CCCC1=O 7a_100000210265_100000211823 [0,1,0,1,0,0|2,0,0]=4 20848 B15R1.3974 CCCCCCC(C)OC1CCOC1=O 34a_100000210265_100000211211 [0,1,0,1,0,0|1,0,0]=3 20849 B15R1.3974 CCCCCCC(C)OC1CCOC1=O 7a_100000210265_100000211211 [0,1,0,1,0,0|1,0,0]=3 20850 B15R1.3974 CCCCCCC(C)O[C@H]1CCNC1=O 34a_100000688343_100011215978 [0,1,0,1,0,0|2,0,0]=4 20851 B15R1.3974 CCCCCCC(C)SC1CCCC1=O 62a_100000211823_100011215978 [0,1,0,1,0,0|2,0,0]=4 20852 B15R1.3974 CCCCCCC(C)SC1CCCC1=O 62a_100011215978_100000211823 [0,1,0,1,0,0|2,0,0]=4 20853 B15R1.3974 CCCCCCC(C)SC1CCOC1=O 62a_100000211211_100011215978 [0,1,0,1,0,0|1,0,0]=3 20854 B15R1.3974 CCCCCCC(C)SC1CCOC1=O 62a_100011215978_100000211211 [0,1,0,1,0,0|1,0,0]=3 20855 B15R1.3974 CCCCOCC(C)OC1CCOC1=O 34a_100011217071_100000211211 [0,1,0,1,0,0|2,0,0]=4 20856 B15R1.3974 CCCCOCC(C)OC1CCOC1=O 7a_100011217071_100000211211 [0,1,0,1,0,0|2,0,0]=4 20857 B15R1.4574 CCOC(=O)CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000183558 [0,1,0,1,0,0|1,0,1]=4 20858 B15R1.4574 CCOC(=O)CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000183558 [0,1,0,1,0,0|1,0,1]=4 20859 B15R1.4574 CCOC(=O)CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000183558 [0,1,0,1,0,0|1,0,1]=4 20860 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@@H]1C 2230a_100020605311_100000748298 [0,1,0,1,0,0|1,0,0]=3 20861 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@@H]1C 269982a_100020605311_100000748298 [0,1,0,1,0,0|1,0,0]=3 20862 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@H]1C 2230a_100015189458_100000748298 [0,1,0,1,0,0|1,0,0]=3 20863 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@H]1C 269982a_100015189458_100000748298 [0,1,0,1,0,0|1,0,0]=3 20864 B15R1.4574 CCOC(=O)CCC(C)N1CCC[C@H]1C 34a_100015189458_100000748298 [0,1,0,1,0,0|1,0,0]=3 20865 B15R1.4574 CCOC(=O)CCC(C)N1CCSC1C 2230a_200011216479_100000748298 [0,1,0,1,0,0|2,0,0]=4 20866 B15R1.4574 CCOC(=O)CCC(C)N1CCSC1C 269982a_200011216479_100000748298 [0,1,0,1,0,0|2,0,0]=4 20867 B15R1.4574 CCOC(=O)CCC(C)N1CCSC1C 34a_200011216479_100000748298 [0,1,0,1,0,0|2,0,0]=4 20868 B15R1.4574 CCOC(=O)CCN(C)[C@@H]1CCC[C@H]1O 269982a_100000745921_200016002552 [0,1,0,1,0,0|2,0,0]=4 20869 B15R1.4574 CCOC(=O)CNC(=O)C1CCCC1C 188690a_100000741813_100000690547 [0,1,0,1,0,0|1,0,1]=4 20870 B15R1.4574 CCOC(=O)CO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100000188475 [0,1,0,1,0,0|2,0,0]=4 20871 B15R1.5618 CCCN1CC[C@@H](C[C@H]1C(=O)OCC)C 2230a_200015568886_100000210303 [0,1,0,1,0,0|1,0,0]=3 20872 B15R1.5618 CCCN1CC[C@@H](C[C@H]1C(=O)OCC)C 269982a_200015568886_100000210303 [0,1,0,1,0,0|1,0,0]=3 20873 B15R1.5618 CCOC(=O)[C@@H]1C[C@H](CCN1CCF)C 2230a_200015568886_100011217306 [0,1,0,1,0,0|2,0,0]=4 20874 B15R1.5618 CCOC(=O)[C@@H]1C[C@H](CCN1CCF)C 269982a_200015568886_100011217306 [0,1,0,1,0,0|2,0,0]=4 20875 B15R1.5618 CCOC(=O)[C@@H]1C[C@H](CCN1CCO)C 2230a_200015568886_100000211926 [0,1,0,1,0,0|2,0,0]=4 20876 B15R1.5618 CCOC(=O)[C@@H]1C[C@H](CCN1CCO)C 269982a_200015568886_100000211926 [0,1,0,1,0,0|2,0,0]=4 20877 B15R1.5618 CCOC(=O)[C@@H]1C[C@H](CCN1COC)C 2230a_200015568886_100000766300 [0,1,0,1,0,0|2,0,0]=4 20878 B15R1.5618 CCOC(=O)[C@@H]1C[C@H](CCN1COC)C 269982a_200015568886_100000766300 [0,1,0,1,0,0|2,0,0]=4 20879 B15R1.5618 CCOC(=O)[C@@H]1C[C@H](CCN1CSC)C 2230a_200015568886_100011218213 [0,1,0,1,0,0|2,0,0]=4 20880 B15R1.5618 CCOC(=O)[C@@H]1C[C@H](CCN1CSC)C 269982a_200015568886_100011218213 [0,1,0,1,0,0|2,0,0]=4 20881 B15R1.10366 C=COC(=O)CNC1CCCCCCC1 2230a_100000211152_100000036128 [0,1,0,1,0,0|0,0,2]=4 20882 B15R1.10366 C=COC(=O)CNC1CCCCCCC1 34a_100000211152_100000036128 [0,1,0,1,0,0|0,0,2]=4 20883 B15R1.10366 C=COC(=O)COC1CCCCCCC1 34a_100000210054_100000036128 [0,1,0,1,0,0|0,0,2]=4 20884 B15R1.10366 CCCC(=O)CCN1CCCCCCC1 1458a_200015187237_100000210303 [0,1,0,1,0,0|1,0,0]=3 20885 B15R1.10366 CCCC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747444 [0,1,0,1,0,0|1,0,0]=3 20886 B15R1.10366 CCCC(=O)COC1CCCCCCC1 7a_100000210054_100000747444 [0,1,0,1,0,0|1,0,0]=3 20887 B15R1.10366 CCCC(=O)OCN1CCCCCCC1 2230a_100000211400_100000034017 [0,1,0,1,0,0|2,0,0]=4 20888 B15R1.10366 CCCC(=O)OCN1CCCCCCC1 269982a_100000211400_100000034017 [0,1,0,1,0,0|2,0,0]=4 20889 B15R1.10366 CCCC(=O)OCN1CCCCCCC1 34a_100000211400_100000034017 [0,1,0,1,0,0|2,0,0]=4 20890 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 2230a_100000211400_100000737597 [0,1,0,1,0,0|1,0,0]=3 20891 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 240690a_100015525214_200015187237 [0,1,0,1,0,0|1,0,0]=3 20892 B15R1.10366 CCNC(=O)CCN1CCCCCCC1 269982a_100000211400_100000737597 [0,1,0,1,0,0|1,0,0]=3 20893 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 2230a_100000211152_100000183381 [0,1,0,1,0,0|1,0,0]=3 20894 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 270004a_100016988866_100000210524 [0,1,0,1,0,0|1,0,0]=3 20895 B15R1.10366 CCNC(=O)CNC1CCCCCCC1 34a_100000211152_100000183381 [0,1,0,1,0,0|1,0,0]=3 20896 B15R1.10366 CCNC(=O)COC1CCCCCCC1 34a_100000210054_100000183381 [0,1,0,1,0,0|1,0,0]=3 20897 B15R1.10366 CCNC(=O)COC1CCCCCCC1 7a_100000210054_100000183381 [0,1,0,1,0,0|1,0,0]=3 20898 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 2230a_100000211400_100011206558 [0,1,0,1,0,0|0,0,0]=2 20899 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 269982a_100000211400_100011206558 [0,1,0,1,0,0|0,0,0]=2 20900 B15R1.10366 CCOC(=O)CCN1CCCCCCC1 34a_100000211400_100000765890 [0,1,0,1,0,0|0,0,0]=2 20901 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 2230a_100000211152_100000188475 [0,1,0,1,0,0|0,0,0]=2 20902 B15R1.10366 CCOC(=O)CNC1CCCCCCC1 34a_100000211152_100000188475 [0,1,0,1,0,0|0,0,0]=2 20903 B15R1.10366 CCOC(=O)COC1C=CCCCCC1 34a_100000688657_100000188475 [0,1,0,1,0,0|0,0,2]=4 20904 B15R1.10366 CCOC(=O)COC1CC/C=C\CCC1 34a_100016989180_100000188475 [0,1,0,1,0,0|0,0,2]=4 20905 B15R1.10366 CCOC(=O)COC1CCCCCCC1 34a_100000210054_100000188475 [0,1,0,1,0,0|0,0,0]=2 20906 B15R1.10366 CCOC(=O)COC1CCCCCCC1 7a_100000210054_100000188475 [0,1,0,1,0,0|0,0,0]=2 20907 B15R1.10366 CCOC(=O)CSC1CC/C=C\CCC1 62a_100000188475_100021000466 [0,1,0,1,0,0|0,0,2]=4 20908 B15R1.10366 CCOC(=O)CSC1CC/C=C\CCC1 62a_100021000466_100000188475 [0,1,0,1,0,0|0,0,2]=4 20909 B15R1.10366 CNNC(=O)CCN1CCCCCCC1 22a_100016993582_200015187237 [0,1,0,1,0,0|2,0,0]=4 20910 B15R1.10366 O=C(CCF)CCN1CCCCCCC1 1458a_200015187237_100011217306 [0,1,0,1,0,0|2,0,0]=4 20911 B15R1.10366 O=C(CCO)CCN1CCCCCCC1 1458a_200015187237_100000211926 [0,1,0,1,0,0|2,0,0]=4 20912 B15R1.10366 O=C(CNC1CCCCCCC1)NCO 2230a_100000211152_100000185155 [0,1,0,1,0,0|2,0,0]=4 20913 B15R1.10366 O=C(CNC1CCCCCCC1)NCO 34a_100000211152_100000185155 [0,1,0,1,0,0|2,0,0]=4 20914 B15R1.10366 O=C(COC1CCCCCCC1)NCO 34a_100000210054_100000185155 [0,1,0,1,0,0|2,0,0]=4 20915 B15R1.10366 O=C(COC1CCCCCCC1)NCO 7a_100000210054_100000185155 [0,1,0,1,0,0|2,0,0]=4 20916 B15R1.10467 CCOC(=O)CCC(C)OCC1CC1C 34a_100000744939_100000748298 [0,1,0,1,0,0|1,0,0]=3 20917 B15R1.10467 CCOC(=O)CCC(C)OCC1CC1C 7a_100000744939_100000748298 [0,1,0,1,0,0|1,0,0]=3 20918 B15R1.10468 CCOC(=O)CCC(=O)NCC1CCC1 11a_100000738700_100000183558 [0,1,0,1,0,0|1,0,1]=4 20919 B15R1.10468 CCOC(=O)CCC(=O)NCC1CCC1 1626a_100000738700_100000183558 [0,1,0,1,0,0|1,0,1]=4 20920 B15R1.10468 CCOC(=O)CCC(=O)NCC1CCC1 240690a_100000738700_100000183558 [0,1,0,1,0,0|1,0,1]=4 20921 B15R1.10468 CCOC(=O)CCC(C)NCC1CCC1 2230a_100000738700_100000748298 [0,1,0,1,0,0|1,0,0]=3 20922 B15R1.10468 CCOC(=O)CCC(C)NCC1CCC1 34a_100000738700_100000748298 [0,1,0,1,0,0|1,0,0]=3 20923 B15R1.10468 CCOC(=O)CCC(C)NCC1COC1 2230a_100015281925_100000748298 [0,1,0,1,0,0|2,0,0]=4 20924 B15R1.10468 CCOC(=O)CCC(C)NCC1COC1 34a_100015281925_100000748298 [0,1,0,1,0,0|2,0,0]=4 20925 B15R1.10468 CCOC(=O)CCC(C)NC[C@@H]1CCO1 2230a_100020831831_100000748298 [0,1,0,1,0,0|2,0,0]=4 20926 B15R1.10468 CCOC(=O)CCC(C)NC[C@@H]1CCO1 34a_100020831831_100000748298 [0,1,0,1,0,0|2,0,0]=4 20927 B15R1.10468 CCOC(=O)CCC(C)OCC1CCC1 34a_100000760304_100000748298 [0,1,0,1,0,0|1,0,0]=3 20928 B15R1.10468 CCOC(=O)CCC(C)OCC1CCO1 34a_100000039022_100000748298 [0,1,0,1,0,0|2,0,0]=4 20929 B15R1.10468 CCOC(=O)CCC(C)OCC1CNC1 34a_100016987283_100000748298 [0,1,0,1,0,0|2,0,0]=4 20930 B15R1.10468 CCOC(=O)CCC(C)OCC1COC1 34a_100000060846_100000748298 [0,1,0,1,0,0|2,0,0]=4 20931 B15R1.10468 CCOC(=O)CCC(C)SCC1CCC1 62a_100000748298_100000763275 [0,1,0,1,0,0|1,0,0]=3 20932 B15R1.10468 CCOC(=O)CCC(C)SCC1CCC1 62a_100000763275_100000748298 [0,1,0,1,0,0|1,0,0]=3 20933 B15R1.10468 CCOC(=O)CCC(C)SCC1CCO1 62a_100000103362_100000748298 [0,1,0,1,0,0|2,0,0]=4 20934 B15R1.10468 CCOC(=O)CCC(C)SCC1CCO1 62a_100000748298_100000103362 [0,1,0,1,0,0|2,0,0]=4 20935 B15R1.10468 CCOC(=O)CCC(C)SCC1COC1 62a_100000748298_100010264016 [0,1,0,1,0,0|2,0,0]=4 20936 B15R1.10468 CCOC(=O)CCC(C)SCC1COC1 62a_100010264016_100000748298 [0,1,0,1,0,0|2,0,0]=4 20937 B15R1.10469 CCOC(=O)CCC(=O)CCCC1CO1 1458a_100000183558_100000733510 [0,1,0,1,0,0|1,0,1]=4 20938 B15R1.10469 CCOC(=O)CCC(=O)NCCC1CC1 1626a_100000764129_100000183558 [0,1,0,1,0,0|1,0,1]=4 20939 B15R1.10469 CCOC(=O)CCC(=O)NCCC1CC1 240690a_100000764129_100000183558 [0,1,0,1,0,0|1,0,1]=4 20940 B15R1.10469 CCOC(=O)CCC(C)NCCC1CC1 34a_100000764129_100000748298 [0,1,0,1,0,0|1,0,0]=3 20941 B15R1.10469 CCOC(=O)CCC(C)OCCC1CC1 34a_100000754188_100000748298 [0,1,0,1,0,0|1,0,0]=3 20942 B15R1.10469 CCOC(=O)CCC(C)OCCC1CC1 7a_100000754188_100000748298 [0,1,0,1,0,0|1,0,0]=3 20943 B15R1.10469 CCOC(=O)CCC(C)OCC[C@@H]1CO1 34a_100009820653_100000748298 [0,1,0,1,0,0|2,0,0]=4 20944 B15R1.10469 CCOC(=O)CCC(C)SCCC1CC1 62a_100000748298_100000764125 [0,1,0,1,0,0|1,0,0]=3 20945 B15R1.10469 CCOC(=O)CCC(C)SCCC1CC1 62a_100000764125_100000748298 [0,1,0,1,0,0|1,0,0]=3 20946 B15R1.10469 CCOC(=O)CCC(C)SCCC1CO1 62a_100000732470_100000748298 [0,1,0,1,0,0|2,0,0]=4 20947 B15R1.10469 CCOC(=O)CCC(C)SCCC1CO1 62a_100000748298_100000732470 [0,1,0,1,0,0|2,0,0]=4 20948 B15R1.10469 CCOC(=O)CCN(C)CCCC1CO1 2230a_100000745921_100000733510 [0,1,0,1,0,0|2,0,0]=4 20949 B15R1.10469 CCOC(=O)CCN(C)CCCC1CO1 269982a_100000745921_100000733510 [0,1,0,1,0,0|2,0,0]=4 20950 B15R1.11906 CCCCN1C[C@@H](C[C@H]1C(=O)OCC)O 2230a_100020626377_100000210211 [0,1,0,1,0,0|1,0,0]=3 20951 B15R1.11906 CCCCN1C[C@@H](C[C@H]1C(=O)OCC)O 269982a_100020626377_100000210211 [0,1,0,1,0,0|1,0,0]=3 20952 B15R1.11906 CCOC(=O)[C@@H]1C[C@H](CN1CCCF)O 2230a_100020626377_100011934791 [0,1,0,1,0,0|2,0,0]=4 20953 B15R1.11906 CCOC(=O)[C@@H]1C[C@H](CN1CCCF)O 269982a_100020626377_100011934791 [0,1,0,1,0,0|2,0,0]=4 20954 B15R1.11906 CCOC(=O)[C@@H]1C[C@H](CN1CCCO)O 2230a_100020626377_100000230001 [0,1,0,1,0,0|2,0,0]=4 20955 B15R1.11906 CCOC(=O)[C@@H]1C[C@H](CN1CCCO)O 269982a_100020626377_100011215043 [0,1,0,1,0,0|2,0,0]=4 20956 B15R1.11906 CCOC(=O)[C@@H]1C[C@H](CN1CCOC)O 2230a_100020626377_100011201679 [0,1,0,1,0,0|2,0,0]=4 20957 B15R1.11906 CCOC(=O)[C@@H]1C[C@H](CN1CCOC)O 269982a_100020626377_100000233755 [0,1,0,1,0,0|2,0,0]=4 20958 B15R1.11906 CCOC(=O)[C@@H]1C[C@H](CN1CCSC)O 2230a_100020626377_100000751147 [0,1,0,1,0,0|2,0,0]=4 20959 B15R1.11906 CCOC(=O)[C@@H]1C[C@H](CN1CCSC)O 269982a_100020626377_100000212216 [0,1,0,1,0,0|2,0,0]=4 20960 B15R1.11906 CCOCN1C[C@@H](C[C@H]1C(=O)OCC)O 269982a_100020626377_100000739092 [0,1,0,1,0,0|2,0,0]=4 20961 B15R1.36719 CCCC(=O)CNC1(CCCCCC1)C 2230a_100000704638_100000747444 [0,1,0,1,0,0|2,0,0]=4 20962 B15R1.36719 CCCC(=O)COC1(CCCCCC1)C 7a_100000708895_100000747444 [0,1,0,1,0,0|2,0,0]=4 20963 B15R1.36719 CCNC(=O)CNC1(CCCCCC1)C 2230a_100000704638_100000183381 [0,1,0,1,0,0|2,0,0]=4 20964 B15R1.36719 CCNC(=O)CNC1(CCCCCC1)C 34a_100000704638_100000183381 [0,1,0,1,0,0|2,0,0]=4 20965 B15R1.36719 CCNC(=O)COC1(CCCCCC1)C 34a_100000708895_100000183381 [0,1,0,1,0,0|2,0,0]=4 20966 B15R1.36719 CCNC(=O)COC1(CCCCCC1)C 7a_100000708895_100000183381 [0,1,0,1,0,0|2,0,0]=4 20967 B15R1.36719 CCOC(=O)CNC1(CCCCCC1)C 2230a_100000704638_100000188475 [0,1,0,1,0,0|1,0,0]=3 20968 B15R1.36719 CCOC(=O)CNC1(CCCCCC1)C 34a_100000704638_100000188475 [0,1,0,1,0,0|1,0,0]=3 20969 B15R1.36719 CCOC(=O)COC1(CCCCCC1)C 34a_100000708895_100000188475 [0,1,0,1,0,0|1,0,0]=3 20970 B15R1.36719 CCOC(=O)COC1(CCCCCC1)C 7a_100000708895_100000188475 [0,1,0,1,0,0|1,0,0]=3 20971 B15R1.36719 CCOC(=O)COC1(CCCNCC1)C 34a_100000723723_100000188475 [0,1,0,1,0,0|2,0,0]=4 20972 B15R1.94 CC(C)OC(=O)CCN1CCC[C@@H]1CO 2230a_100000745186_100000760027 [0,1,0,1,0,0|2,0,0]=4 20973 B15R1.94 CC(C)OC(=O)CCN1CCC[C@@H]1CO 269982a_100000745186_100000760027 [0,1,0,1,0,0|2,0,0]=4 20974 B15R1.94 CCC1CCCC1NCC(=O)NC(C)C 269862a_100000168517_100000749056 [0,1,0,1,0,0|2,0,0]=4 20975 B15R1.94 CCC1CCCC1NCC(=O)NC(C)C 270004a_100000168517_100000749056 [0,1,0,1,0,0|2,0,0]=4 20976 B15R1.94 CCC1CCCN1CCC(=O)NC(C)C 2230a_100000754278_100000737564 [0,1,0,1,0,0|2,0,0]=4 20977 B15R1.94 CCC1CCCN1CCC(=O)NC(C)C 269982a_100000754278_100000737564 [0,1,0,1,0,0|2,0,0]=4 20978 B15R1.94 CCC1CCCN1CCC(=O)OC(C)C 2230a_100000754278_100000760027 [0,1,0,1,0,0|1,0,0]=3 20979 B15R1.94 CCC1CCCN1CCC(=O)OC(C)C 269982a_100000754278_100000760027 [0,1,0,1,0,0|1,0,0]=3 20980 B15R1.94 CCC1CCCN1COC(=O)OC(C)C 269982a_100000754278_100010125566 [0,1,0,1,0,0|2,0,0]=4 20981 B15R1.130 CC(C)CC(=O)CCC1CCCCN1C 1458a_100000210554_100000211948 [0,1,0,1,0,0|2,0,0]=4 20982 B15R1.130 CC(C)CC(=O)CCC1CCCCN1C 1458a_100000718493_100000210624 [0,1,0,1,0,0|2,0,0]=4 20983 B15R1.130 CC(C)CC(=O)COC1CCCCC1C 1458a_100011223357_100000210624 [0,1,0,1,0,0|2,0,0]=4 20984 B15R1.130 CC(C)NC(=O)CCC1CCCCN1C 240690a_100138425928_100000718493 [0,1,0,1,0,0|2,0,0]=4 20985 B15R1.130 CC(C)NC(=O)CCC1CCCCN1C 527a_100138425928_100000718493 [0,1,0,1,0,0|2,0,0]=4 20986 B15R1.130 CC(C)NC(=O)CCN1CCCCC1C 2230a_100000211376_100000737564 [0,1,0,1,0,0|2,0,0]=4 20987 B15R1.130 CC(C)NC(=O)CCN1CCCCC1C 240690a_100138425928_100000727554 [0,1,0,1,0,0|2,0,0]=4 20988 B15R1.130 CC(C)NC(=O)CCN1CCCCC1C 269982a_100000211376_100000737564 [0,1,0,1,0,0|2,0,0]=4 20989 B15R1.130 CC(C)NC(=O)CNC1CCCCC1C 2230a_100000211402_100000183996 [0,1,0,1,0,0|2,0,0]=4 20990 B15R1.130 CC(C)NC(=O)CNC1CCCCC1C 269862a_100000168517_100000210921 [0,1,0,1,0,0|2,0,0]=4 20991 B15R1.130 CC(C)NC(=O)CNC1CCCCC1C 270004a_100000168517_100000210921 [0,1,0,1,0,0|2,0,0]=4 20992 B15R1.130 CC(C)NC(=O)CNC1CCCCC1C 34a_100000211402_100000183996 [0,1,0,1,0,0|2,0,0]=4 20993 B15R1.130 CC(C)NC(=O)COC1CCCCC1C 11a_100138425928_100011223357 [0,1,0,1,0,0|2,0,0]=4 20994 B15R1.130 CC(C)NC(=O)COC1CCCCC1C 1626a_100138425928_100011223357 [0,1,0,1,0,0|2,0,0]=4 20995 B15R1.130 CC(C)NC(=O)COC1CCCCC1C 240690a_100138425928_100011223357 [0,1,0,1,0,0|2,0,0]=4 20996 B15R1.130 CC(C)NC(=O)COC1CCCCC1C 34a_100000211207_100000183996 [0,1,0,1,0,0|2,0,0]=4 20997 B15R1.130 CC(C)NC(=O)COC1CCCCC1C 527a_100138425928_100011223357 [0,1,0,1,0,0|2,0,0]=4 20998 B15R1.130 CC(C)NC(=O)COC1CCCCC1C 7a_100000211207_100000183996 [0,1,0,1,0,0|2,0,0]=4 20999 B15R1.130 CC(C)OC(=O)CCN1CCCCC1C 2230a_100000211376_100000760027 [0,1,0,1,0,0|1,0,0]=3 21000 B15R1.130 CC(C)OC(=O)CCN1CCCCC1C 269982a_100000211376_100000760027 [0,1,0,1,0,0|1,0,0]=3 21001 B15R1.130 CC(C)OC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000760027 [0,1,0,1,0,0|2,0,0]=4 21002 B15R1.130 CC(C)OC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000760027 [0,1,0,1,0,0|2,0,0]=4 21003 B15R1.130 CC(C)OC(=O)CNC1CCCCC1C 2230a_100000211402_100011215430 [0,1,0,1,0,0|1,0,0]=3 21004 B15R1.130 CC(C)OC(=O)CNC1CCCCC1C 34a_100000211402_100011215430 [0,1,0,1,0,0|1,0,0]=3 21005 B15R1.130 CC(C)OC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100011215430 [0,1,0,1,0,0|2,0,0]=4 21006 B15R1.130 CC(C)OC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100011215430 [0,1,0,1,0,0|2,0,0]=4 21007 B15R1.130 CC(C)OC(=O)COC1CCCCC1C 34a_100000211207_100011215430 [0,1,0,1,0,0|1,0,0]=3 21008 B15R1.130 CC(C)OC(=O)COC1CCCCC1C 7a_100000211207_100011215430 [0,1,0,1,0,0|1,0,0]=3 21009 B15R1.130 CC(C)OC(=O)COC1CCCCC1Cl 34a_100000038908_100011215430 [0,1,0,1,0,0|2,0,0]=4 21010 B15R1.130 CC(C)OC(=O)COC1CCCCC1Cl 7a_100000038908_100011215430 [0,1,0,1,0,0|2,0,0]=4 21011 B15R1.130 CC(C)OC(=O)COC1CCNCC1C 34a_100011998114_100011215430 [0,1,0,1,0,0|2,0,0]=4 21012 B15R1.130 CC(C)OC(=O)COC1CNCCC1C 34a_100000696640_100011215430 [0,1,0,1,0,0|2,0,0]=4 21013 B15R1.130 CC(C)OC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100011215430 [0,1,0,1,0,0|2,0,0]=4 21014 B15R1.130 CC(C)OC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100011215430 [0,1,0,1,0,0|2,0,0]=4 21015 B15R1.130 CC(C)OC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100011215430 [0,1,0,1,0,0|2,0,0]=4 21016 B15R1.130 CC(C)OC(=O)CSC1CCCCC1F 62a_100011215430_100015423560 [0,1,0,1,0,0|2,0,0]=4 21017 B15R1.130 CC(C)OC(=O)CSC1CCCCC1F 62a_100015423560_100011215430 [0,1,0,1,0,0|2,0,0]=4 21018 B15R1.130 CC(C)OC(=O)CSC1CCCCC1O 62a_100000038908_100011215430 [0,1,0,1,0,0|2,0,0]=4 21019 B15R1.130 CC(C)OC(=O)CSC1CCCCC1O 62a_100011215430_100000038908 [0,1,0,1,0,0|2,0,0]=4 21020 B15R1.130 CC(C)OC(=O)OCN1CCCCC1C 269982a_100000211376_100010125566 [0,1,0,1,0,0|2,0,0]=4 21021 B15R1.130 CC(O)CC(=O)CCC1CCCCN1C 1458a_100000718493_100011218427 [0,1,0,1,0,0|2,0,0]=4 21022 B15R1.130 CC(O)CC(=O)COC1CCCCC1C 1458a_100011223357_100011218427 [0,1,0,1,0,0|2,0,0]=4 21023 B15R1.130 C[C@@H](O)CC(=O)CCC1CCCCN1C 1458a_100011933948_100000211948 [0,1,0,1,0,0|2,0,0]=4 21024 B15R1.254 CC(C)NC(=O)CCOC1CCCC1C 7a_100011216460_100000737564 [0,1,0,1,0,0|2,0,0]=4 21025 B15R1.254 CC(C)OC(=O)CCOC1CCCC1C 7a_100011216460_100000760027 [0,1,0,1,0,0|1,0,0]=3 21026 B15R1.254 CC(C)OC(=O)CCS[C@@H]1CCC[C@H]1O 62a_100000760027_200016002552 [0,1,0,1,0,0|2,0,0]=4 21027 B15R1.254 CC(C)OC(=O)CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000760027 [0,1,0,1,0,0|2,0,0]=4 21028 B15R1.254 CC(C)OC(=O)COCC1CCCN1C 34a_100000743107_100011215430 [0,1,0,1,0,0|2,0,0]=4 21029 B15R1.269 COCC1CCN1CCC(=O)OC(C)C 2230a_100015195929_100000760027 [0,1,0,1,0,0|2,0,0]=4 21030 B15R1.269 COCC1CCN1CCC(=O)OC(C)C 269982a_100015195929_100000760027 [0,1,0,1,0,0|2,0,0]=4 21031 B15R1.271 CCCC1CCCCN1C(=O)CC(C)C 11a_100000701414_100000210554 [0,1,0,1,0,0|2,0,0]=4 21032 B15R1.271 CCCC1CCCCN1C(=O)CC(C)C 1626a_100000701414_100000210554 [0,1,0,1,0,0|2,0,0]=4 21033 B15R1.271 CCCC1CCCCN1C(=O)CC(C)C 240690a_100000701414_100000210554 [0,1,0,1,0,0|2,0,0]=4 21034 B15R1.271 CCCC1CCCCN1C(=O)CC(C)C 527a_100000701414_100000210554 [0,1,0,1,0,0|2,0,0]=4 21035 B15R1.271 CCCC1CCCCN1C(=O)C[C@@H](C)O 240690a_100000701414_100011933948 [0,1,0,1,0,0|2,0,0]=4 21036 B15R1.271 CCCC1CCCCN1C(=O)NC(C)C 2708a_100138425928_100000701414 [0,1,0,1,0,0|2,0,0]=4 21037 B15R1.271 CCCC1CCCCN1C(=O)NC(C)C 273464a_100138425928_100000701414 [0,1,0,1,0,0|2,0,0]=4 21038 B15R1.271 CCCN1CCCCC1C(=O)CC(C)C 1458a_100000743559_100000210624 [0,1,0,1,0,0|2,0,0]=4 21039 B15R1.271 CCCN1CCCCC1C(=O)CC(C)O 1458a_100000743559_100011218427 [0,1,0,1,0,0|2,0,0]=4 21040 B15R1.271 CCCN1CCCCC1C(=O)NC(C)C 240690a_100138425928_100000743559 [0,1,0,1,0,0|2,0,0]=4 21041 B15R1.288 COC[C@@H]1CCCN1CC(=O)OC(C)C 2230a_100020646714_100011215430 [0,1,0,1,0,0|2,0,0]=4 21042 B15R1.288 COC[C@@H]1CCCN1CC(=O)OC(C)C 269982a_100020646714_100011215430 [0,1,0,1,0,0|2,0,0]=4 21043 B15R1.288 COC[C@@H]1CCCN1CC(=O)OC(C)C 34a_100020646714_100011215430 [0,1,0,1,0,0|2,0,0]=4 21044 B15R1.829 CCCCN1CCC[C@@H]1C(=O)NC(C)C 2230a_100153395200_100000210211 [0,1,0,1,0,0|2,0,0]=4 21045 B15R1.829 CCCCN1CCC[C@@H]1C(=O)NC(C)C 269982a_100153395200_100000210211 [0,1,0,1,0,0|2,0,0]=4 21046 B15R1.829 CCCCN1CCC[C@@H]1C(=O)NC(C)C 34a_100153395200_100000210210 [0,1,0,1,0,0|2,0,0]=4 21047 B15R1.1145 CC(C)OC(=O)CN1CCCCC1CO 2230a_100000210821_100011215430 [0,1,0,1,0,0|2,0,0]=4 21048 B15R1.1145 CC(C)OC(=O)CN1CCCCC1CO 269982a_100000210821_100011215430 [0,1,0,1,0,0|2,0,0]=4 21049 B15R1.1145 CC(C)OC(=O)CN1CCCCC1CO 34a_100000210821_100011215430 [0,1,0,1,0,0|2,0,0]=4 21050 B15R1.1145 CCC1CCCCN1CC(=O)NC(C)C 2230a_100000210034_100000183996 [0,1,0,1,0,0|2,0,0]=4 21051 B15R1.1145 CCC1CCCCN1CC(=O)NC(C)C 269982a_100000210034_100000183996 [0,1,0,1,0,0|2,0,0]=4 21052 B15R1.1145 CCC1CCCCN1CC(=O)NC(C)C 34a_100000210034_100000183996 [0,1,0,1,0,0|2,0,0]=4 21053 B15R1.1145 CCC1CCCCN1CC(=O)OC(C)C 2230a_100000210034_100011215430 [0,1,0,1,0,0|1,0,0]=3 21054 B15R1.1145 CCC1CCCCN1CC(=O)OC(C)C 269982a_100000210034_100011215430 [0,1,0,1,0,0|1,0,0]=3 21055 B15R1.1145 CCC1CCCCN1CC(=O)OC(C)C 34a_100000210034_100011215430 [0,1,0,1,0,0|1,0,0]=3 21056 B15R1.1145 CC[C@H]1COCCN1CC(=O)OC(C)C 2230a_100016988097_100011215430 [0,1,0,1,0,0|2,0,0]=4 21057 B15R1.1145 CC[C@H]1COCCN1CC(=O)OC(C)C 269982a_100016988097_100011215430 [0,1,0,1,0,0|2,0,0]=4 21058 B15R1.1145 CC[C@H]1COCCN1CC(=O)OC(C)C 34a_100016988097_100011215430 [0,1,0,1,0,0|2,0,0]=4 21059 B15R1.5503 CC(C)CC(=O)NCCCC1CCCC1 11a_100000736752_100000210554 [0,1,0,1,0,0|2,0,0]=4 21060 B15R1.5503 CC(C)CC(=O)NCCCC1CCCC1 1626a_100000736752_100000210554 [0,1,0,1,0,0|2,0,0]=4 21061 B15R1.5503 CC(C)CC(=O)NCCCC1CCCC1 240690a_100000736752_100000210554 [0,1,0,1,0,0|2,0,0]=4 21062 B15R1.5503 CC(C)CC(=O)NCCCC1CCCC1 527a_100000736752_100000210554 [0,1,0,1,0,0|2,0,0]=4 21063 B15R1.5503 CC(C)NC(=O)CCNCC1CCCC1 2230a_100000737975_100000737564 [0,1,0,1,0,0|2,0,0]=4 21064 B15R1.5503 CC(C)NC(=O)CCOCC1CCCC1 7a_100000742336_100000737564 [0,1,0,1,0,0|2,0,0]=4 21065 B15R1.5503 CC(C)NC(=O)CCSCC1CCCC1 62a_100000737564_100000740388 [0,1,0,1,0,0|2,0,0]=4 21066 B15R1.5503 CC(C)NC(=O)CCSCC1CCCC1 62a_100000740388_100000737564 [0,1,0,1,0,0|2,0,0]=4 21067 B15R1.5503 CC(C)NC(=O)CNCCC1CCCC1 2230a_100000168517_100000760354 [0,1,0,1,0,0|2,0,0]=4 21068 B15R1.5503 CC(C)NC(=O)CNCCC1CCCC1 2230a_100000739158_100000183996 [0,1,0,1,0,0|2,0,0]=4 21069 B15R1.5503 CC(C)NC(=O)CNCCC1CCCC1 34a_100000739158_100000183996 [0,1,0,1,0,0|2,0,0]=4 21070 B15R1.5503 CC(C)NC(=O)COCCC1CCCC1 34a_100000749090_100000183996 [0,1,0,1,0,0|2,0,0]=4 21071 B15R1.5503 CC(C)NC(=O)COCCC1CCCC1 7a_100000749090_100000183996 [0,1,0,1,0,0|2,0,0]=4 21072 B15R1.5503 CC(C)NC(=O)CSCCC1CCCC1 62a_100000183996_100000760354 [0,1,0,1,0,0|2,0,0]=4 21073 B15R1.5503 CC(C)NC(=O)CSCCC1CCCC1 62a_100000760354_100000183996 [0,1,0,1,0,0|2,0,0]=4 21074 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 2708a_100000736752_100138425928 [0,1,0,1,0,0|2,0,0]=4 21075 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 2708a_100138425928_100000736752 [0,1,0,1,0,0|2,0,0]=4 21076 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 273464a_100138425928_100000736752 [0,1,0,1,0,0|2,0,0]=4 21077 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 512a_100000736752_100138425928 [0,1,0,1,0,0|2,0,0]=4 21078 B15R1.5503 CC(C)NC(=O)NCCCC1CCCC1 512a_100138425928_100000736752 [0,1,0,1,0,0|2,0,0]=4 21079 B15R1.5503 CC(C)OC(=O)CCNCC1CCCC1 2230a_100000737975_100000760027 [0,1,0,1,0,0|1,0,0]=3 21080 B15R1.5503 CC(C)OC(=O)CCNCC1CCOC1 2230a_100000737293_100000760027 [0,1,0,1,0,0|2,0,0]=4 21081 B15R1.5503 CC(C)OC(=O)CCNC[C@@H]1CCCO1 2230a_100020590478_100000760027 [0,1,0,1,0,0|2,0,0]=4 21082 B15R1.5503 CC(C)OC(=O)CCOCC1CCCC1 7a_100000742336_100000760027 [0,1,0,1,0,0|1,0,0]=3 21083 B15R1.5503 CC(C)OC(=O)CCOCC1CCCO1 7a_100000210270_100000760027 [0,1,0,1,0,0|2,0,0]=4 21084 B15R1.5503 CC(C)OC(=O)CCSCC1CCCC1 62a_100000740388_100000760027 [0,1,0,1,0,0|1,0,0]=3 21085 B15R1.5503 CC(C)OC(=O)CCSCC1CCCC1 62a_100000760027_100000740388 [0,1,0,1,0,0|1,0,0]=3 21086 B15R1.5503 CC(C)OC(=O)CCSCC1CCCO1 62a_100000203698_100000760027 [0,1,0,1,0,0|2,0,0]=4 21087 B15R1.5503 CC(C)OC(=O)CCSCC1CCCO1 62a_100000760027_100000203698 [0,1,0,1,0,0|2,0,0]=4 21088 B15R1.5503 CC(C)OC(=O)CCSCC1CCOC1 62a_100000702531_100000760027 [0,1,0,1,0,0|2,0,0]=4 21089 B15R1.5503 CC(C)OC(=O)CCSCC1CCOC1 62a_100000760027_100000702531 [0,1,0,1,0,0|2,0,0]=4 21090 B15R1.5503 CC(C)OC(=O)CNCCC1CCCC1 2230a_100000739158_100011215430 [0,1,0,1,0,0|1,0,0]=3 21091 B15R1.5503 CC(C)OC(=O)CNCCC1CCCC1 34a_100000739158_100011215430 [0,1,0,1,0,0|1,0,0]=3 21092 B15R1.5503 CC(C)OC(=O)COCCC1CCCC1 34a_100000749090_100011215430 [0,1,0,1,0,0|1,0,0]=3 21093 B15R1.5503 CC(C)OC(=O)COCCC1CCCC1 7a_100000749090_100011215430 [0,1,0,1,0,0|1,0,0]=3 21094 B15R1.5503 CC(C)OC(=O)COCCC1CCNC1 34a_100016987287_100011215430 [0,1,0,1,0,0|2,0,0]=4 21095 B15R1.5503 CC(C)OC(=O)COCCC1CCOC1 34a_100011879284_100011215430 [0,1,0,1,0,0|2,0,0]=4 21096 B15R1.5503 CC(C)OC(=O)CSCCC1CCCC1 62a_100000760354_100011215430 [0,1,0,1,0,0|1,0,0]=3 21097 B15R1.5503 CC(C)OC(=O)CSCCC1CCCC1 62a_100011215430_100000760354 [0,1,0,1,0,0|1,0,0]=3 21098 B15R1.5503 CC(C)OC(=O)CSCCN1CCCC1 62a_100000700749_100011215430 [0,1,0,1,0,0|2,0,0]=4 21099 B15R1.5503 CC(C)OC(=O)CSCCN1CCCC1 62a_100011215430_100000004467 [0,1,0,1,0,0|2,0,0]=4 21100 B15R1.5503 CC(C)OC(=O)OCSCC1CCCC1 62a_100000003507_100000740388 [0,1,0,1,0,0|2,0,0]=4 21101 B15R1.5503 CC(C)OC(=O)OCSCC1CCCC1 62a_100000740388_100000003507 [0,1,0,1,0,0|2,0,0]=4 21102 B15R1.5503 C[C@@H](O)CC(=O)NCCCC1CCCC1 240690a_100000736752_100011933948 [0,1,0,1,0,0|2,0,0]=4 21103 B15R1.5505 CC(C)OC(=O)CCCCCN1CCC1 269982a_100000754969_200010986244 [0,1,0,1,0,0|1,0,0]=3 21104 B15R1.9028 CC(C)OC(=O)CCCCCNC1CC1 34a_100000212008_200010986244 [0,1,0,1,0,0|1,0,0]=3 21105 B15R1.9028 CC(C)OC(=O)CCCCCSC1CC1 62a_200010986244_100000211595 [0,1,0,1,0,0|1,0,0]=3 21106 B15R1.9028 CC(C)OC(=O)CCSCCCC1CO1 62a_100000733510_100000760027 [0,1,0,1,0,0|2,0,0]=4 21107 B15R1.9028 CC(C)OC(=O)CCSCCCC1CO1 62a_100000760027_100000733510 [0,1,0,1,0,0|2,0,0]=4 21108 B15R1.9084 C=C(C)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000748629 [0,1,0,1,0,0|1,0,1]=4 21109 B15R1.9084 CC(=CC(=O)CCCC1CCCCC1)C 1458a_100000211388_100011713725 [0,1,0,1,0,0|1,0,1]=4 21110 B15R1.9084 CC(=CC(=O)CCCC1CCCCC1)Cl 1458a_200042562850_100011713725 [0,1,0,1,0,0|1,0,1]=4 21111 B15R1.9084 CC(=CC(=O)CCCC1CCCCC1)I 1458a_100025716642_100011713725 [0,1,0,1,0,0|1,0,1]=4 21112 B15R1.9084 CC(C)CC(=O)CCCC1CCCCC1 1458a_100000210554_100011713725 [0,1,0,1,0,0|1,0,0]=3 21113 B15R1.9084 CC(C)CC(=O)CCCC1CCCCC1 1458a_100000211478_100000210624 [0,1,0,1,0,0|1,0,0]=3 21114 B15R1.9084 CC(C)CC(=O)CCCN1CCCCC1 1458a_100000210554_100000690320 [0,1,0,1,0,0|2,0,0]=4 21115 B15R1.9084 CC(C)CC(=O)CCCN1CCCCC1 1458a_100000742516_100000210624 [0,1,0,1,0,0|2,0,0]=4 21116 B15R1.9084 CC(C)CC(=O)CCOC1CCCCC1 1458a_100000210554_100011211530 [0,1,0,1,0,0|2,0,0]=4 21117 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 11a_100000738074_100000210554 [0,1,0,1,0,0|2,0,0]=4 21118 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 1626a_100000738074_100000210554 [0,1,0,1,0,0|2,0,0]=4 21119 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 240690a_100000738074_100000210554 [0,1,0,1,0,0|2,0,0]=4 21120 B15R1.9084 CC(C)CC(=O)NCCC1CCCCC1 527a_100000738074_100000210554 [0,1,0,1,0,0|2,0,0]=4 21121 B15R1.9084 CC(C)NC(=O)CCCC1CCCCC1 11a_100138425928_100000211478 [0,1,0,1,0,0|1,0,0]=3 21122 B15R1.9084 CC(C)NC(=O)CCCC1CCCCC1 1626a_100138425928_100000211478 [0,1,0,1,0,0|1,0,0]=3 21123 B15R1.9084 CC(C)NC(=O)CCCC1CCCCC1 240690a_100138425928_100000211478 [0,1,0,1,0,0|1,0,0]=3 21124 B15R1.9084 CC(C)NC(=O)CCCC1CCCCC1 527a_100138425928_100000211478 [0,1,0,1,0,0|1,0,0]=3 21125 B15R1.9084 CC(C)NC(=O)CCCN1CCCCC1 240690a_100138425928_100000742516 [0,1,0,1,0,0|2,0,0]=4 21126 B15R1.9084 CC(C)NC(=O)CCNC1CCCCC1 2230a_100000182618_100000737564 [0,1,0,1,0,0|2,0,0]=4 21127 B15R1.9084 CC(C)NC(=O)CCOC1CCCCC1 7a_100000210231_100000737564 [0,1,0,1,0,0|2,0,0]=4 21128 B15R1.9084 CC(C)NC(=O)CCSC1CCCCC1 62a_100000210327_100000737564 [0,1,0,1,0,0|2,0,0]=4 21129 B15R1.9084 CC(C)NC(=O)CCSC1CCCCC1 62a_100000737564_100000210327 [0,1,0,1,0,0|2,0,0]=4 21130 B15R1.9084 CC(C)NC(=O)CNCC1CCCCC1 2230a_100000168517_100000211423 [0,1,0,1,0,0|2,0,0]=4 21131 B15R1.9084 CC(C)NC(=O)CNCC1CCCCC1 2230a_100000210473_100000183996 [0,1,0,1,0,0|2,0,0]=4 21132 B15R1.9084 CC(C)NC(=O)CNCC1CCCCC1 269862a_100000168517_100000211278 [0,1,0,1,0,0|2,0,0]=4 21133 B15R1.9084 CC(C)NC(=O)CNCC1CCCCC1 34a_100000210473_100000183996 [0,1,0,1,0,0|2,0,0]=4 21134 B15R1.9084 CC(C)NC(=O)COCC1CCCCC1 34a_100000212181_100000183996 [0,1,0,1,0,0|2,0,0]=4 21135 B15R1.9084 CC(C)NC(=O)COCC1CCCCC1 7a_100000212181_100000183996 [0,1,0,1,0,0|2,0,0]=4 21136 B15R1.9084 CC(C)NC(=O)CSCC1CCCCC1 62a_100000183996_100000211423 [0,1,0,1,0,0|2,0,0]=4 21137 B15R1.9084 CC(C)NC(=O)CSCC1CCCCC1 62a_100000211423_100000183996 [0,1,0,1,0,0|2,0,0]=4 21138 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 2708a_100000738074_100138425928 [0,1,0,1,0,0|2,0,0]=4 21139 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 2708a_100138425928_100000738074 [0,1,0,1,0,0|2,0,0]=4 21140 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 273464a_100138425928_100000738074 [0,1,0,1,0,0|2,0,0]=4 21141 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 512a_100000738074_100138425928 [0,1,0,1,0,0|2,0,0]=4 21142 B15R1.9084 CC(C)NC(=O)NCCC1CCCCC1 512a_100138425928_100000738074 [0,1,0,1,0,0|2,0,0]=4 21143 B15R1.9084 CC(C)OC(=O)CCNC1CCCCC1 2230a_100000182618_100000760027 [0,1,0,1,0,0|1,0,0]=3 21144 B15R1.9084 CC(C)OC(=O)CCNC1CCCOC1 2230a_100000719290_100000760027 [0,1,0,1,0,0|2,0,0]=4 21145 B15R1.9084 CC(C)OC(=O)CCNC1CCOCC1 2230a_100000741149_100000760027 [0,1,0,1,0,0|2,0,0]=4 21146 B15R1.9084 CC(C)OC(=O)CCNC1CCSCC1 2230a_100000748639_100000760027 [0,1,0,1,0,0|2,0,0]=4 21147 B15R1.9084 CC(C)OC(=O)CCOC1CCCCC1 7a_100000210231_100000760027 [0,1,0,1,0,0|1,0,0]=3 21148 B15R1.9084 CC(C)OC(=O)CCOC1CCCSC1 7a_100015962668_100000760027 [0,1,0,1,0,0|2,0,0]=4 21149 B15R1.9084 CC(C)OC(=O)CCOC1CCSCC1 7a_100000731022_100000760027 [0,1,0,1,0,0|2,0,0]=4 21150 B15R1.9084 CC(C)OC(=O)CCSC1CCCCC1 62a_100000210327_100000760027 [0,1,0,1,0,0|1,0,0]=3 21151 B15R1.9084 CC(C)OC(=O)CCSC1CCCCC1 62a_100000760027_100000210327 [0,1,0,1,0,0|1,0,0]=3 21152 B15R1.9084 CC(C)OC(=O)CCSC1CCCOC1 62a_100000760027_100000693364 [0,1,0,1,0,0|2,0,0]=4 21153 B15R1.9084 CC(C)OC(=O)CCSC1CCOCC1 62a_100000760027_100011324220 [0,1,0,1,0,0|2,0,0]=4 21154 B15R1.9084 CC(C)OC(=O)CCSC1CCSCC1 62a_100000760027_100000069128 [0,1,0,1,0,0|2,0,0]=4 21155 B15R1.9084 CC(C)OC(=O)CNCC1CCCCC1 2230a_100000210473_100011215430 [0,1,0,1,0,0|1,0,0]=3 21156 B15R1.9084 CC(C)OC(=O)CNCC1CCCCC1 34a_100000210473_100011215430 [0,1,0,1,0,0|1,0,0]=3 21157 B15R1.9084 CC(C)OC(=O)CNCC1CCCCO1 2230a_100000174945_100011215430 [0,1,0,1,0,0|2,0,0]=4 21158 B15R1.9084 CC(C)OC(=O)CNCC1CCCCO1 34a_100000174945_100011215430 [0,1,0,1,0,0|2,0,0]=4 21159 B15R1.9084 CC(C)OC(=O)CNCC1CCCOC1 2230a_100000720124_100011215430 [0,1,0,1,0,0|2,0,0]=4 21160 B15R1.9084 CC(C)OC(=O)CNCC1CCCOC1 34a_100000720124_100011215430 [0,1,0,1,0,0|2,0,0]=4 21161 B15R1.9084 CC(C)OC(=O)CNCC1CCOCC1 2230a_100000746373_100011215430 [0,1,0,1,0,0|2,0,0]=4 21162 B15R1.9084 CC(C)OC(=O)CNCC1CCOCC1 34a_100000746373_100011215430 [0,1,0,1,0,0|2,0,0]=4 21163 B15R1.9084 CC(C)OC(=O)CNCC1CCSCC1 2230a_100015188806_100011215430 [0,1,0,1,0,0|2,0,0]=4 21164 B15R1.9084 CC(C)OC(=O)CNCC1CCSCC1 34a_100015188806_100011215430 [0,1,0,1,0,0|2,0,0]=4 21165 B15R1.9084 CC(C)OC(=O)COCC1CCCCC1 34a_100000212181_100011215430 [0,1,0,1,0,0|1,0,0]=3 21166 B15R1.9084 CC(C)OC(=O)COCC1CCCCC1 7a_100000212181_100011215430 [0,1,0,1,0,0|1,0,0]=3 21167 B15R1.9084 CC(C)OC(=O)COCC1CCCCN1 34a_100000210821_100011215430 [0,1,0,1,0,0|2,0,0]=4 21168 B15R1.9084 CC(C)OC(=O)COCC1CCCCO1 34a_100000211370_100011215430 [0,1,0,1,0,0|2,0,0]=4 21169 B15R1.9084 CC(C)OC(=O)COCC1CCCCO1 7a_100000211370_100011215430 [0,1,0,1,0,0|2,0,0]=4 21170 B15R1.9084 CC(C)OC(=O)COCC1CCCNC1 34a_100000211344_100011215430 [0,1,0,1,0,0|2,0,0]=4 21171 B15R1.9084 CC(C)OC(=O)COCC1CCCOC1 34a_100000741520_100011215430 [0,1,0,1,0,0|2,0,0]=4 21172 B15R1.9084 CC(C)OC(=O)COCC1CCNCC1 34a_100000738675_100011215430 [0,1,0,1,0,0|2,0,0]=4 21173 B15R1.9084 CC(C)OC(=O)COCC1CCOCC1 34a_100000749013_100011215430 [0,1,0,1,0,0|2,0,0]=4 21174 B15R1.9084 CC(C)OC(=O)COCC1CCSCC1 34a_100000070558_100011215430 [0,1,0,1,0,0|2,0,0]=4 21175 B15R1.9084 CC(C)OC(=O)COCC1CCSCC1 7a_100000070558_100011215430 [0,1,0,1,0,0|2,0,0]=4 21176 B15R1.9084 CC(C)OC(=O)CSCC1CCCCC1 62a_100000211423_100011215430 [0,1,0,1,0,0|1,0,0]=3 21177 B15R1.9084 CC(C)OC(=O)CSCC1CCCCC1 62a_100011215430_100000211423 [0,1,0,1,0,0|1,0,0]=3 21178 B15R1.9084 CC(C)OC(=O)CSCC1CCCCO1 62a_100000211543_100011215430 [0,1,0,1,0,0|2,0,0]=4 21179 B15R1.9084 CC(C)OC(=O)CSCC1CCCCO1 62a_100011215430_100000211543 [0,1,0,1,0,0|2,0,0]=4 21180 B15R1.9084 CC(C)OC(=O)CSCC1CCCOC1 62a_100000741521_100011215430 [0,1,0,1,0,0|2,0,0]=4 21181 B15R1.9084 CC(C)OC(=O)CSCC1CCCOC1 62a_100011215430_100000741521 [0,1,0,1,0,0|2,0,0]=4 21182 B15R1.9084 CC(C)OC(=O)CSCC1CCOCC1 62a_100000754603_100011215430 [0,1,0,1,0,0|2,0,0]=4 21183 B15R1.9084 CC(C)OC(=O)CSCC1CCOCC1 62a_100011215430_100000749018 [0,1,0,1,0,0|2,0,0]=4 21184 B15R1.9084 CC(C)OC(=O)OCSC1CCCCC1 62a_100000003507_100000210327 [0,1,0,1,0,0|2,0,0]=4 21185 B15R1.9084 CC(C)OC(=O)OCSC1CCCCC1 62a_100000210327_100000003507 [0,1,0,1,0,0|2,0,0]=4 21186 B15R1.9084 CC(O)CC(=O)CCCC1CCCCC1 1458a_100000211478_100011218427 [0,1,0,1,0,0|1,0,0]=3 21187 B15R1.9084 CC(O)CC(=O)CCCN1CCCCC1 1458a_100000742516_100011218427 [0,1,0,1,0,0|2,0,0]=4 21188 B15R1.9084 CN(C)CC(=O)CCCC1CCCCC1 1458a_100000750896_100011713725 [0,1,0,1,0,0|2,0,0]=4 21189 B15R1.9084 C[C@@H](O)CC(=O)CCCC1CCCCC1 1458a_100011933948_100011713725 [0,1,0,1,0,0|1,0,0]=3 21190 B15R1.9084 C[C@@H](O)CC(=O)CCCN1CCCCC1 1458a_100011933948_100000690320 [0,1,0,1,0,0|2,0,0]=4 21191 B15R1.9084 C[C@@H](O)CC(=O)CCOC1CCCCC1 1458a_100011933948_100011211530 [0,1,0,1,0,0|2,0,0]=4 21192 B15R1.9084 C[C@@H](O)CC(=O)NCCC1CCCCC1 240690a_100000738074_100011933948 [0,1,0,1,0,0|2,0,0]=4 21193 B15R1.9084 C[S+](C)CC(=O)CCCC1CCCCC1 1458a_200159257847_100011713725 [0,1,0,1,0,0|2,0,0]=4 21194 B15R1.9084 O=C(CCCC1CCCCC1)CC(F)F 1458a_100000211478_100011934356 [0,1,0,1,0,0|2,0,0]=4 21195 B15R1.9716 CCCCCCCCCC(=O)CC1CC1 1458a_100000210558_100000742324 [0,1,0,1,0,0|1,0,0]=3 21196 B15R1.9716 CCCCCCCCCC(=O)CC1CC1 1458a_100000738066_100000210670 [0,1,0,1,0,0|1,0,0]=3 21197 B15R1.9716 CCCCCCCCCC(=O)CC1CO1 1458a_100000210558_100011216344 [0,1,0,1,0,0|1,0,0]=3 21198 B15R1.9716 CCCCCCCCCC(=O)CC1CS1 1458a_100000210558_100000031435 [0,1,0,1,0,0|1,0,0]=3 21199 B15R1.9716 CCCCCCCCCC(=O)C[C@@H]1CO1 1458a_100000210558_100000745022 [0,1,0,1,0,0|1,0,0]=3 21200 B15R1.9716 CCCCCCCCCC(=O)NC1CC1 1626a_100000212008_100000210558 [0,1,0,1,0,0|1,0,0]=3 21201 B15R1.9716 CCCCCCCCCC(=O)NC1CC1 240690a_100000212008_100000210558 [0,1,0,1,0,0|1,0,0]=3 21202 B15R1.9716 CCCCCCCCCC(=O)NC1CC1 527a_100000212008_100000210558 [0,1,0,1,0,0|1,0,0]=3 21203 B15R1.9716 CCCCCCCCCC(C)OC1CC1 34a_100011218016_100000211595 [0,1,0,1,0,0|1,0,1]=4 21204 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 11a_100000229939_100000738066 [0,1,0,1,0,0|2,0,0]=4 21205 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 1626a_100000229939_100000738066 [0,1,0,1,0,0|2,0,0]=4 21206 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 240690a_100000229939_100000738066 [0,1,0,1,0,0|2,0,0]=4 21207 B15R1.9716 CCCCCCCCNC(=O)CC1CC1 527a_100000229939_100000738066 [0,1,0,1,0,0|2,0,0]=4 21208 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 2708a_100000212008_100000229939 [0,1,0,1,0,0|2,0,0]=4 21209 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 2708a_100000229939_100000212008 [0,1,0,1,0,0|2,0,0]=4 21210 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 273464a_100000212008_100000229939 [0,1,0,1,0,0|2,0,0]=4 21211 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 273464a_100000229939_100000212008 [0,1,0,1,0,0|2,0,0]=4 21212 B15R1.9716 CCCCCCCCNC(=O)NC1CC1 512a_100000212008_100000229939 [0,1,0,1,0,0|2,0,0]=4 21213 B15R1.9716 CCCCCCCNCC(=O)NC1CC1 2230a_100000229938_100000182950 [0,1,0,1,0,0|2,0,0]=4 21214 B15R1.9716 CCCCCCCNCC(=O)NC1CC1 2230a_100000702991_100000210681 [0,1,0,1,0,0|2,0,0]=4 21215 B15R1.9716 CCCCCCCOCC(=O)NC1CC1 34a_100000210272_100000182950 [0,1,0,1,0,0|2,0,0]=4 21216 B15R1.9716 CCCCCCCOCC(=O)NC1CC1 7a_100000210272_100000182950 [0,1,0,1,0,0|2,0,0]=4 21217 B15R1.9716 CCCCCCCSCC(=O)NC1CC1 62a_100000182950_100000210316 [0,1,0,1,0,0|2,0,0]=4 21218 B15R1.9716 CCCCCCCSCC(=O)NC1CC1 62a_100000210614_100000182950 [0,1,0,1,0,0|2,0,0]=4 21219 B15R1.9716 CCCCCCNCCC(=O)NC1CC1 2230a_100000210581_100000737409 [0,1,0,1,0,0|2,0,0]=4 21220 B15R1.9716 CCCCCCOCCC(=O)NC1CC1 34a_100000210259_100000737409 [0,1,0,1,0,0|2,0,0]=4 21221 B15R1.9716 CCCCCCSCCC(=O)NC1CC1 62a_100000210314_100000737409 [0,1,0,1,0,0|2,0,0]=4 21222 B15R1.9716 CCCCCCSCCC(=O)NC1CC1 62a_100000737409_100000210757 [0,1,0,1,0,0|2,0,0]=4 21223 B15R1.9716 O=C(CCCCCCCCO)CC1CC1 1458a_100000738066_100000033203 [0,1,0,1,0,0|2,0,0]=4 21224 B15R1.9716 O=C(CCCCCCCCO)NC1CC1 240690a_100000212008_100000015970 [0,1,0,1,0,0|2,0,0]=4 21225 B15R1.22526 CC(C)CC(=O)N1CCCCCCCC1 11a_100000039187_100000210554 [0,1,0,1,0,0|2,0,0]=4 21226 B15R1.22526 CC(C)CC(=O)N1CCCCCCCC1 1626a_100000039187_100000210554 [0,1,0,1,0,0|2,0,0]=4 21227 B15R1.22526 CC(C)CC(=O)N1CCCCCCCC1 240690a_100000039187_100000210554 [0,1,0,1,0,0|2,0,0]=4 21228 B15R1.22526 CC(C)CC(=O)N1CCCCCCCC1 527a_100000039187_100000210554 [0,1,0,1,0,0|2,0,0]=4 21229 B15R1.22526 CC(C)NC(=O)N1CCCCCCCC1 2708a_100138425928_100000039187 [0,1,0,1,0,0|2,0,0]=4 21230 B15R1.22526 CC(C)NC(=O)N1CCCCCCCC1 273464a_100138425928_100000039187 [0,1,0,1,0,0|2,0,0]=4 21231 B15R1.22526 C[C@@H](O)CC(=O)N1CCCCCCCC1 240690a_100000039187_100011933948 [0,1,0,1,0,0|2,0,0]=4 21232 B15R1.22532 CC(C)CC(=O)CCN1CCCCCC1 1458a_100000210554_100000722644 [0,1,0,1,0,0|2,0,0]=4 21233 B15R1.22532 CC(C)CC(=O)CCN1CCCCCC1 1458a_100000740320_100000210624 [0,1,0,1,0,0|2,0,0]=4 21234 B15R1.22532 CC(C)CC(=O)NCC1CCCCCC1 11a_100015204231_100000210554 [0,1,0,1,0,0|2,0,0]=4 21235 B15R1.22532 CC(C)CC(=O)NCC1CCCCCC1 1626a_100015204231_100000210554 [0,1,0,1,0,0|2,0,0]=4 21236 B15R1.22532 CC(C)CC(=O)NCC1CCCCCC1 240690a_100015204231_100000210554 [0,1,0,1,0,0|2,0,0]=4 21237 B15R1.22532 CC(C)CC(=O)NCC1CCCCCC1 527a_100015204231_100000210554 [0,1,0,1,0,0|2,0,0]=4 21238 B15R1.22532 CC(C)NC(=O)CCN1CCCCCC1 2230a_100000185865_100000737564 [0,1,0,1,0,0|2,0,0]=4 21239 B15R1.22532 CC(C)NC(=O)CCN1CCCCCC1 240690a_100138425928_100000740320 [0,1,0,1,0,0|2,0,0]=4 21240 B15R1.22532 CC(C)NC(=O)CCN1CCCCCC1 269982a_100000185865_100000737564 [0,1,0,1,0,0|2,0,0]=4 21241 B15R1.22532 CC(C)NC(=O)CNC1CCCCCC1 2230a_100000210984_100000183996 [0,1,0,1,0,0|2,0,0]=4 21242 B15R1.22532 CC(C)NC(=O)CNC1CCCCCC1 270004a_100000168517_100000210131 [0,1,0,1,0,0|2,0,0]=4 21243 B15R1.22532 CC(C)NC(=O)CNC1CCCCCC1 34a_100000210984_100000183996 [0,1,0,1,0,0|2,0,0]=4 21244 B15R1.22532 CC(C)NC(=O)COC1CCCCCC1 34a_100000210887_100000183996 [0,1,0,1,0,0|2,0,0]=4 21245 B15R1.22532 CC(C)NC(=O)COC1CCCCCC1 7a_100000210887_100000183996 [0,1,0,1,0,0|2,0,0]=4 21246 B15R1.22532 CC(C)NC(=O)CSC1CCCCCC1 62a_100000183996_100011217769 [0,1,0,1,0,0|2,0,0]=4 21247 B15R1.22532 CC(C)NC(=O)CSC1CCCCCC1 62a_100011217769_100000183996 [0,1,0,1,0,0|2,0,0]=4 21248 B15R1.22532 CC(C)NC(=O)NCC1CCCCCC1 2708a_100015204231_100138425928 [0,1,0,1,0,0|2,0,0]=4 21249 B15R1.22532 CC(C)NC(=O)NCC1CCCCCC1 2708a_100138425928_100015204231 [0,1,0,1,0,0|2,0,0]=4 21250 B15R1.22532 CC(C)NC(=O)NCC1CCCCCC1 273464a_100138425928_100015204231 [0,1,0,1,0,0|2,0,0]=4 21251 B15R1.22532 CC(C)NC(=O)NCC1CCCCCC1 512a_100138425928_100015204231 [0,1,0,1,0,0|2,0,0]=4 21252 B15R1.22532 CC(C)OC(=O)CCN1CCCCCC1 2230a_100000185865_100000760027 [0,1,0,1,0,0|1,0,0]=3 21253 B15R1.22532 CC(C)OC(=O)CCN1CCCCCC1 269982a_100000185865_100000760027 [0,1,0,1,0,0|1,0,0]=3 21254 B15R1.22532 CC(C)OC(=O)CCN1CCCOCC1 2230a_100000685342_100000760027 [0,1,0,1,0,0|2,0,0]=4 21255 B15R1.22532 CC(C)OC(=O)CCN1CCCOCC1 269982a_100000685342_100000760027 [0,1,0,1,0,0|2,0,0]=4 21256 B15R1.22532 CC(C)OC(=O)CNC1CCCCCC1 2230a_100000210984_100011215430 [0,1,0,1,0,0|1,0,0]=3 21257 B15R1.22532 CC(C)OC(=O)CNC1CCCCCC1 34a_100000210984_100011215430 [0,1,0,1,0,0|1,0,0]=3 21258 B15R1.22532 CC(C)OC(=O)COC1CCCCCC1 34a_100000210887_100011215430 [0,1,0,1,0,0|1,0,0]=3 21259 B15R1.22532 CC(C)OC(=O)COC1CCCCCC1 7a_100000210887_100011215430 [0,1,0,1,0,0|1,0,0]=3 21260 B15R1.22532 CC(C)OC(=O)CSC1CCCCCC1 62a_100011215430_100011217769 [0,1,0,1,0,0|1,0,0]=3 21261 B15R1.22532 CC(C)OC(=O)CSC1CCCCCC1 62a_100011217769_100011215430 [0,1,0,1,0,0|1,0,0]=3 21262 B15R1.22532 CC(C)OC(=O)OCN1CCCCCC1 269982a_100000185865_100010125566 [0,1,0,1,0,0|2,0,0]=4 21263 B15R1.22532 CC(O)CC(=O)CCN1CCCCCC1 1458a_100000740320_100011218427 [0,1,0,1,0,0|2,0,0]=4 21264 B15R1.22532 C[C@@H](O)CC(=O)CCN1CCCCCC1 1458a_100011933948_100000722644 [0,1,0,1,0,0|2,0,0]=4 21265 B15R1.22532 C[C@@H](O)CC(=O)NCC1CCCCCC1 240690a_100015204231_100011933948 [0,1,0,1,0,0|2,0,0]=4 21266 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 11a_100000211152_100000210554 [0,1,0,1,0,0|2,0,0]=4 21267 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 1626a_100000211152_100000210554 [0,1,0,1,0,0|2,0,0]=4 21268 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 240690a_100000211152_100000210554 [0,1,0,1,0,0|2,0,0]=4 21269 B15R1.22585 CC(C)CC(=O)NC1CCCCCCC1 527a_100000211152_100000210554 [0,1,0,1,0,0|2,0,0]=4 21270 B15R1.22585 CC(C)NC(=O)CN1CCCCCCC1 2230a_100000211400_100000183996 [0,1,0,1,0,0|2,0,0]=4 21271 B15R1.22585 CC(C)NC(=O)CN1CCCCCCC1 269982a_100000211400_100000183996 [0,1,0,1,0,0|2,0,0]=4 21272 B15R1.22585 CC(C)NC(=O)CN1CCCCCCC1 34a_100000211400_100000183996 [0,1,0,1,0,0|2,0,0]=4 21273 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 2708a_100000211152_100138425928 [0,1,0,1,0,0|2,0,0]=4 21274 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 2708a_100138425928_100000211152 [0,1,0,1,0,0|2,0,0]=4 21275 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 273464a_100138425928_100000211152 [0,1,0,1,0,0|2,0,0]=4 21276 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 512a_100000211152_100138425928 [0,1,0,1,0,0|2,0,0]=4 21277 B15R1.22585 CC(C)NC(=O)NC1CCCCCCC1 512a_100138425928_100000211152 [0,1,0,1,0,0|2,0,0]=4 21278 B15R1.22585 CC(C)OC(=O)CN1CCCCCCC1 2230a_100000211400_100011215430 [0,1,0,1,0,0|1,0,0]=3 21279 B15R1.22585 CC(C)OC(=O)CN1CCCCCCC1 269982a_100000211400_100011215430 [0,1,0,1,0,0|1,0,0]=3 21280 B15R1.22585 CC(C)OC(=O)CN1CCCCCCC1 34a_100000211400_100011215430 [0,1,0,1,0,0|1,0,0]=3 21281 B15R1.22585 C[C@@H](O)CC(=O)NC1CCCCCCC1 240690a_100000211152_100011933948 [0,1,0,1,0,0|2,0,0]=4 21282 B15R1.106 C#CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100012276617 [0,1,0,1,0,0|0,0,2]=4 21283 B15R1.106 C=CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011215473 [0,1,0,1,0,0|0,0,2]=4 21284 B15R1.106 CCCCCC#CCN1CCOC(=O)C1 2230a_100000131268_100009816472 [0,1,0,1,0,0|0,0,2]=4 21285 B15R1.106 CCCCCCCCN1CCC=C(C1)C 2230a_100000725631_100000210759 [0,1,0,1,0,0|2,0,0]=4 21286 B15R1.106 CCCCCCCCN1CCC=C(C1)C 269982a_100000725631_100000210759 [0,1,0,1,0,0|2,0,0]=4 21287 B15R1.106 CCCCCCCCN1CCC=C(C1)C 34a_100000725631_100000210759 [0,1,0,1,0,0|2,0,0]=4 21288 B15R1.106 CCCCCCCCN1CCNC(=O)C1 2230a_100000184651_100000210759 [0,1,0,1,0,0|1,0,0]=3 21289 B15R1.106 CCCCCCCCN1CCOC(=O)C1 2230a_100000131268_100000210759 [0,1,0,1,0,0|0,0,0]=2 21290 B15R1.106 CCCCCCCCN1CCOC(C1)C 2230a_100000729577_100000210759 [0,1,0,1,0,0|1,0,1]=4 21291 B15R1.106 CCCCCCCCN1CCOC(C1)C 269982a_100000729577_100000210759 [0,1,0,1,0,0|1,0,1]=4 21292 B15R1.106 CCCCCCCCN1CCOC(C1)C 34a_100000729577_100000210759 [0,1,0,1,0,0|1,0,1]=4 21293 B15R1.106 CCCCCCCCN1CCOC(C1)O 2230a_100000688207_100000210759 [0,1,0,1,0,0|0,0,2]=4 21294 B15R1.106 CCCCCCCCN1CCOC(C1)O 269982a_100000688207_100000210759 [0,1,0,1,0,0|0,0,2]=4 21295 B15R1.106 CCCCCCCNC1CCNC(=O)C1 2230a_100016994916_100000210681 [0,1,0,1,0,0|1,0,0]=3 21296 B15R1.106 CCCCCCCNC1CCNC(=O)C1 34a_100016994916_100000210614 [0,1,0,1,0,0|1,0,0]=3 21297 B15R1.106 CCCCCCCNC1CCOC(C1)C 270004a_100000229938_100000755752 [0,1,0,1,0,0|1,0,1]=4 21298 B15R1.106 CCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210614 [0,1,0,1,0,0|1,0,0]=3 21299 B15R1.106 CCCCCCCOC1CCOC(C1)C 34a_100011986385_100000210614 [0,1,0,1,0,0|1,0,1]=4 21300 B15R1.106 CCCCCCCOC1CCOC(C1)C 7a_100011986385_100000210614 [0,1,0,1,0,0|1,0,1]=4 21301 B15R1.106 CCCCCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210614 [0,1,0,1,0,0|1,0,0]=3 21302 B15R1.106 CCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210314 [0,1,0,1,0,0|2,0,0]=4 21303 B15R1.106 CCCCCCOCC1CCNC(=O)C1 34a_100009886756_100000210314 [0,1,0,1,0,0|1,0,0]=3 21304 B15R1.106 CCCCNCCCN1CCNC(=O)C1 2230a_100000757908_100000210211 [0,1,0,1,0,0|2,0,0]=4 21305 B15R1.106 CCCCOCCNC1CCNC(=O)C1 2230a_100016994916_100000743108 [0,1,0,1,0,0|2,0,0]=4 21306 B15R1.106 CCCCOCCNC1CCNC(=O)C1 34a_100016994916_100000743108 [0,1,0,1,0,0|2,0,0]=4 21307 B15R1.106 CCCCOCCOC1CCCC(=O)C1 34a_100012613340_100000743108 [0,1,0,1,0,0|2,0,0]=4 21308 B15R1.106 CCCCOCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000743108 [0,1,0,1,0,0|2,0,0]=4 21309 B15R1.106 CCCCOCOCC1CCNC(=O)C1 34a_100009886756_100011995733 [0,1,0,1,0,0|2,0,0]=4 21310 B15R1.106 CCCOCCOCC1CCNC(=O)C1 34a_100009886756_100011215938 [0,1,0,1,0,0|2,0,0]=4 21311 B15R1.106 CCOCCCOCC1CCNC(=O)C1 34a_100009886756_100012232248 [0,1,0,1,0,0|2,0,0]=4 21312 B15R1.106 CCOCCOCCN1CCOC(=O)C1 2230a_100000131268_100011211534 [0,1,0,1,0,0|2,0,0]=4 21313 B15R1.106 COCCCCCCN1CCNC(=O)C1 2230a_100000184651_100011998445 [0,1,0,1,0,0|2,0,0]=4 21314 B15R1.106 COCCCCCCN1CCOC(=O)C1 2230a_100000131268_100011998445 [0,1,0,1,0,0|1,0,0]=3 21315 B15R1.106 COCCCCOCC1CCNC(=O)C1 34a_100009886756_100000755781 [0,1,0,1,0,0|2,0,0]=4 21316 B15R1.106 COCCOCCCN1CCOC(=O)C1 2230a_100000131268_100011216529 [0,1,0,1,0,0|2,0,0]=4 21317 B15R1.106 N#CCCCCCCN1CCOC(=O)C1 2230a_100000131268_100009813337 [0,1,0,1,0,0|1,0,1]=4 21318 B15R1.106 O=C1CC(CCN1)COCCCCCF 34a_100009886756_100000729378 [0,1,0,1,0,0|2,0,0]=4 21319 B15R1.106 O=C1CC(CCN1)COCCCCCO 34a_100009886756_100000746330 [0,1,0,1,0,0|2,0,0]=4 21320 B15R1.106 O=C1CC(CCN1)NCCCCCCF 2230a_100016994916_100015922095 [0,1,0,1,0,0|2,0,0]=4 21321 B15R1.106 O=C1CC(CCN1)NCCCCCCF 34a_100016994916_100015922095 [0,1,0,1,0,0|2,0,0]=4 21322 B15R1.106 O=C1CC(CCN1)NCCCCCCO 2230a_100016994916_100000766143 [0,1,0,1,0,0|2,0,0]=4 21323 B15R1.106 O=C1CC(CCN1)NCCCCCCO 34a_100016994916_100000766143 [0,1,0,1,0,0|2,0,0]=4 21324 B15R1.106 O=C1CCCC(C1)OCCCCCCF 34a_100012613340_100015922095 [0,1,0,1,0,0|2,0,0]=4 21325 B15R1.106 O=C1CCCC(C1)OCCCCCCO 34a_100012613340_100000766143 [0,1,0,1,0,0|2,0,0]=4 21326 B15R1.106 O=C1CN(CCN1)CCCCCCCO 2230a_100000184651_100000760002 [0,1,0,1,0,0|2,0,0]=4 21327 B15R1.106 O=C1CN(CCO1)CCCCCCCO 2230a_100000131268_100000760002 [0,1,0,1,0,0|1,0,0]=3 21328 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCF 34a_100015189427_100015922095 [0,1,0,1,0,0|2,0,0]=4 21329 B15R1.106 O=C1C[C@@H](CCN1)OCCCCCCO 34a_100015189427_100000766143 [0,1,0,1,0,0|2,0,0]=4 21330 B15R1.236 CCCCCCN1CCCC(C1)OCC 2230a_100000745229_100000210314 [0,1,0,1,0,0|1,0,1]=4 21331 B15R1.236 CCCCCCN1CCCC(C1)OCC 269982a_100000745229_100000210757 [0,1,0,1,0,0|1,0,1]=4 21332 B15R1.236 CCCCCCN1CCCC(C1)OCC 34a_100000745229_100000210314 [0,1,0,1,0,0|1,0,1]=4 21333 B15R1.528 CCCCCCCCCOC1CCCO1 34a_100000085407_100011214924 [0,1,0,1,0,0|1,0,1]=4 21334 B15R1.528 CCCCCCCCNCC1=NCCN1 34a_100000229939_100000737910 [0,1,0,1,0,0|2,0,0]=4 21335 B15R1.528 CCCCCCCCNCC1CCCO1 2230a_100000229939_100000203698 [0,1,0,1,0,0|1,0,1]=4 21336 B15R1.528 CCCCCCCCNCC1OCCO1 2230a_100000036311_100000210759 [0,1,0,1,0,0|0,0,2]=4 21337 B15R1.528 CCCCCCCCNCC1OCCO1 2230a_100000229939_100000755774 [0,1,0,1,0,0|0,0,2]=4 21338 B15R1.528 CCCCCCCCNCC1OCCO1 34a_100000036311_100000210759 [0,1,0,1,0,0|0,0,2]=4 21339 B15R1.528 CCCCCCCCNCC1OCCO1 34a_100000229939_100000755774 [0,1,0,1,0,0|0,0,2]=4 21340 B15R1.528 CCCCCCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210759 [0,1,0,1,0,0|1,0,1]=4 21341 B15R1.528 CCCCCCCCNC[C@@H]1CCCO1 34a_100020590478_100000210759 [0,1,0,1,0,0|1,0,1]=4 21342 B15R1.528 CCCCCCCCOCC1=NCCN1 34a_100000210232_100000737910 [0,1,0,1,0,0|2,0,0]=4 21343 B15R1.528 CCCCCCCCOCC1=NCCN1 7a_100000210232_100000737910 [0,1,0,1,0,0|2,0,0]=4 21344 B15R1.528 CCCCCCCCOCC1CCCO1 34a_100000210270_100000210759 [0,1,0,1,0,0|1,0,1]=4 21345 B15R1.528 CCCCCCCCOCC1CCCO1 7a_100000210232_100000203698 [0,1,0,1,0,0|1,0,1]=4 21346 B15R1.528 CCCCCCCCOCC1CCCO1 7a_100000210270_100000210759 [0,1,0,1,0,0|1,0,1]=4 21347 B15R1.528 CCCCCCCCOCC1OCCO1 34a_100000087154_100000210759 [0,1,0,1,0,0|0,0,2]=4 21348 B15R1.528 CCCCCCCCOCC1OCCO1 34a_100000210232_100000755774 [0,1,0,1,0,0|0,0,2]=4 21349 B15R1.528 CCCCCCCCOCC1OCCO1 7a_100000210232_100000755774 [0,1,0,1,0,0|0,0,2]=4 21350 B15R1.528 CCCCCCCCSCC1=NCCN1 62a_100000210759_100000737910 [0,1,0,1,0,0|2,0,0]=4 21351 B15R1.528 CCCCCCCCSCC1=NCCN1 62a_100000737910_100000210317 [0,1,0,1,0,0|2,0,0]=4 21352 B15R1.528 CCCCCCCCSCC1CCCO1 62a_100000203698_100000210317 [0,1,0,1,0,0|1,0,1]=4 21353 B15R1.528 CCCCCCCCSCC1CCCO1 62a_100000210759_100000203698 [0,1,0,1,0,0|1,0,1]=4 21354 B15R1.528 CCCCCCCCSCC1OCCO1 62a_100000210759_100000755774 [0,1,0,1,0,0|0,0,2]=4 21355 B15R1.528 CCCCCCCCSCC1OCCO1 62a_100000755774_100000210317 [0,1,0,1,0,0|0,0,2]=4 21356 B15R1.528 CCCCCCCNCCC1OCCO1 2230a_100000034215_100000210681 [0,1,0,1,0,0|0,0,2]=4 21357 B15R1.528 CCCCCCCNCCC1OCCO1 2230a_100000229938_100000740749 [0,1,0,1,0,0|0,0,2]=4 21358 B15R1.528 CCCCCCCNCCC1OCCO1 34a_100000034215_100000210614 [0,1,0,1,0,0|0,0,2]=4 21359 B15R1.528 CCCCCCCOCCC1OCCO1 34a_100000210272_100000740749 [0,1,0,1,0,0|0,0,2]=4 21360 B15R1.528 CCCCCCCOCCC1OCCO1 7a_100000210272_100000740749 [0,1,0,1,0,0|0,0,2]=4 21361 B15R1.528 CCCCCCCSCCC1OCCO1 62a_100000210614_100000740749 [0,1,0,1,0,0|0,0,2]=4 21362 B15R1.528 CCCCCCNCCCC1OCCO1 2230a_100000210581_100000042513 [0,1,0,1,0,0|0,0,2]=4 21363 B15R1.528 CCCCCCOCCCC1OCCO1 34a_100000210259_100009861162 [0,1,0,1,0,0|0,0,2]=4 21364 B15R1.528 CCCCCCOCCCC1OCCO1 34a_100009871617_100000210314 [0,1,0,1,0,0|0,0,2]=4 21365 B15R1.528 CCCCCCOCCCC1OCCO1 7a_100000210259_100000042513 [0,1,0,1,0,0|0,0,2]=4 21366 B15R1.528 CCCCCCOCCCC1OCCO1 7a_100009871617_100000210314 [0,1,0,1,0,0|0,0,2]=4 21367 B15R1.528 CCCCCCSCCCC1OCCO1 62a_100000210314_100000042513 [0,1,0,1,0,0|0,0,2]=4 21368 B15R1.528 CCCCCNCCCCC1OCCO1 2230a_100000209983_100000034956 [0,1,0,1,0,0|0,0,2]=4 21369 B15R1.528 CCCCCOCCCCC1OCCO1 34a_100000210253_200009813554 [0,1,0,1,0,0|0,0,2]=4 21370 B15R1.528 CCCCCOCCCCC1OCCO1 7a_100000210253_100000034956 [0,1,0,1,0,0|0,0,2]=4 21371 B15R1.528 CCCCCSCCCCC1OCCO1 62a_100000210326_100000034956 [0,1,0,1,0,0|0,0,2]=4 21372 B15R1.603 CCCC1CCCC1NCC(=O)NCC 270004a_100016988866_100000723119 [0,1,0,1,0,0|1,0,0]=3 21373 B15R1.603 CCNC(=O)CCN1CCC[C@H]1COC 2230a_100020646714_100000737597 [0,1,0,1,0,0|2,0,0]=4 21374 B15R1.603 CCNC(=O)CCN1CCC[C@H]1COC 269982a_100020646714_100000737597 [0,1,0,1,0,0|2,0,0]=4 21375 B15R1.603 CCOC(=O)CCN1CCC[C@H]1COC 2230a_100020646714_100011206558 [0,1,0,1,0,0|1,0,0]=3 21376 B15R1.603 CCOC(=O)CCN1CCC[C@H]1COC 269982a_100020646714_100011206558 [0,1,0,1,0,0|1,0,0]=3 21377 B15R1.603 CCOC(=O)CCN1CCC[C@H]1COC 34a_100020646714_100000765890 [0,1,0,1,0,0|1,0,0]=3 21378 B15R1.768 C#CC1CCCCN1CCC(=O)OCC 2230a_200020621307_100011206558 [0,1,0,1,0,0|0,0,2]=4 21379 B15R1.768 C#CC1CCCCN1CCC(=O)OCC 269982a_200020621307_100011206558 [0,1,0,1,0,0|0,0,2]=4 21380 B15R1.768 C#CC1CCCCN1CCC(=O)OCC 34a_200020621307_100000765890 [0,1,0,1,0,0|0,0,2]=4 21381 B15R1.768 C=COC(=O)COC1CCCCC1CC 34a_100000210738_100000036128 [0,1,0,1,0,0|0,0,2]=4 21382 B15R1.768 CCC1CCCCC1OCC(=O)NCO 34a_100000210738_100000185155 [0,1,0,1,0,0|2,0,0]=4 21383 B15R1.768 CCC1CCCCC1OCC(=O)NCO 7a_100000210738_100000185155 [0,1,0,1,0,0|2,0,0]=4 21384 B15R1.768 CCCC(=O)COC1CCCCC1CC 7a_100000210738_100000747444 [0,1,0,1,0,0|1,0,0]=3 21385 B15R1.768 CCCC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000747444 [0,1,0,1,0,0|2,0,0]=4 21386 B15R1.768 CCCC(=O)NCC1CCCCN1CC 11a_100000754393_100000211992 [0,1,0,1,0,0|2,0,0]=4 21387 B15R1.768 CCCC(=O)NCC1CCCCN1CC 1626a_100000754393_100000211992 [0,1,0,1,0,0|2,0,0]=4 21388 B15R1.768 CCCC(=O)NCC1CCCCN1CC 240690a_100000754393_100000211992 [0,1,0,1,0,0|2,0,0]=4 21389 B15R1.768 CCCC(=O)NCC1CCCCN1CC 527a_100000754393_100000211992 [0,1,0,1,0,0|2,0,0]=4 21390 B15R1.768 CCCC(=O)OCN1CCCCC1CC 2230a_100000210034_100000034017 [0,1,0,1,0,0|2,0,0]=4 21391 B15R1.768 CCCC(=O)OCN1CCCCC1CC 269982a_100000210034_100000034017 [0,1,0,1,0,0|2,0,0]=4 21392 B15R1.768 CCCC(=O)OCN1CCCCC1CC 34a_100000210034_100000034017 [0,1,0,1,0,0|2,0,0]=4 21393 B15R1.768 CCNC(=O)CCN1CCCCC1CC 2230a_100000210034_100000737597 [0,1,0,1,0,0|1,0,0]=3 21394 B15R1.768 CCNC(=O)CCN1CCCCC1CC 269982a_100000210034_100000737597 [0,1,0,1,0,0|1,0,0]=3 21395 B15R1.768 CCNC(=O)CCN1CCCCC1CO 2230a_100000210821_100000737597 [0,1,0,1,0,0|2,0,0]=4 21396 B15R1.768 CCNC(=O)CCN1CCCCC1CO 269982a_100000210821_100000737597 [0,1,0,1,0,0|2,0,0]=4 21397 B15R1.768 CCNC(=O)CCN1CCOC[C@@H]1CC 2230a_100016988097_100000737597 [0,1,0,1,0,0|2,0,0]=4 21398 B15R1.768 CCNC(=O)CCN1CCOC[C@@H]1CC 269982a_100016988097_100000737597 [0,1,0,1,0,0|2,0,0]=4 21399 B15R1.768 CCNC(=O)CNC1CCCCC1CC 270004a_100016988866_100000757040 [0,1,0,1,0,0|1,0,0]=3 21400 B15R1.768 CCNC(=O)CNC1CCCCC1CO 270004a_100016988866_100009861125 [0,1,0,1,0,0|2,0,0]=4 21401 B15R1.768 CCNC(=O)CNC1CCCCC1OC 270004a_100016988866_100000740605 [0,1,0,1,0,0|2,0,0]=4 21402 B15R1.768 CCNC(=O)CNC1CCCCC1OC 34a_100011208099_100000183381 [0,1,0,1,0,0|2,0,0]=4 21403 B15R1.768 CCNC(=O)COC1CCCCC1CC 34a_100000210738_100000183381 [0,1,0,1,0,0|1,0,0]=3 21404 B15R1.768 CCNC(=O)COC1CCCCC1CC 7a_100000210738_100000183381 [0,1,0,1,0,0|1,0,0]=3 21405 B15R1.768 CCNC(=O)COC1CCCCC1CN 34a_100011216029_100000183381 [0,1,0,1,0,0|2,0,0]=4 21406 B15R1.768 CCNC(=O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000183381 [0,1,0,1,0,0|2,0,0]=4 21407 B15R1.768 CCNC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000183381 [0,1,0,1,0,0|2,0,0]=4 21408 B15R1.768 CCNC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000183381 [0,1,0,1,0,0|2,0,0]=4 21409 B15R1.768 CCNC(=O)NCC1CCCCN1CC 2708a_100000754393_100015525214 [0,1,0,1,0,0|2,0,0]=4 21410 B15R1.768 CCNC(=O)NCC1CCCCN1CC 2708a_100015525214_100000754393 [0,1,0,1,0,0|2,0,0]=4 21411 B15R1.768 CCNC(=O)NCC1CCCCN1CC 273464a_100000754393_100015525214 [0,1,0,1,0,0|2,0,0]=4 21412 B15R1.768 CCNC(=O)NCC1CCCCN1CC 273464a_100015525214_100000754393 [0,1,0,1,0,0|2,0,0]=4 21413 B15R1.768 CCNC(=O)NCC1CCCCN1CC 512a_100000754393_100015525214 [0,1,0,1,0,0|2,0,0]=4 21414 B15R1.768 CCNC(=O)NCC1CCCCN1CC 512a_100015525214_100000754393 [0,1,0,1,0,0|2,0,0]=4 21415 B15R1.768 CCOC(=O)CCN1CCCCC1C#N 34a_100016989756_100000765890 [0,1,0,1,0,0|1,0,1]=4 21416 B15R1.768 CCOC(=O)CCN1CCCCC1CC 2230a_100000210034_100011206558 [0,1,0,1,0,0|0,0,0]=2 21417 B15R1.768 CCOC(=O)CCN1CCCCC1CC 269982a_100000210034_100011206558 [0,1,0,1,0,0|0,0,0]=2 21418 B15R1.768 CCOC(=O)CCN1CCCCC1CC 34a_100000210034_100000765890 [0,1,0,1,0,0|0,0,0]=2 21419 B15R1.768 CCOC(=O)CCN1CCCCC1CO 2230a_100000210821_100011206558 [0,1,0,1,0,0|1,0,0]=3 21420 B15R1.768 CCOC(=O)CCN1CCCCC1CO 269982a_100000210821_100011206558 [0,1,0,1,0,0|1,0,0]=3 21421 B15R1.768 CCOC(=O)CCN1CCCCC1CO 34a_100000210821_100000765890 [0,1,0,1,0,0|1,0,0]=3 21422 B15R1.768 CCOC(=O)CCN1CCOC[C@@H]1CC 2230a_100016988097_100011206558 [0,1,0,1,0,0|1,0,0]=3 21423 B15R1.768 CCOC(=O)CCN1CCOC[C@@H]1CC 269982a_100016988097_100011206558 [0,1,0,1,0,0|1,0,0]=3 21424 B15R1.768 CCOC(=O)CCN1CCOC[C@@H]1CC 34a_100016988097_100000765890 [0,1,0,1,0,0|1,0,0]=3 21425 B15R1.768 CCOC(=O)CCN1CCOC[C@H]1CO 2230a_100000717676_100011206558 [0,1,0,1,0,0|2,0,0]=4 21426 B15R1.768 CCOC(=O)CCN1CCOC[C@H]1CO 269982a_100000717676_100011206558 [0,1,0,1,0,0|2,0,0]=4 21427 B15R1.768 CCOC(=O)CCN1CCOC[C@H]1CO 34a_100000717676_100000765890 [0,1,0,1,0,0|2,0,0]=4 21428 B15R1.768 CCOC(=O)CNC1CCCCC1OC 34a_100011208099_100000188475 [0,1,0,1,0,0|1,0,0]=3 21429 B15R1.768 CCOC(=O)CNC1CCOCC1CO 2230a_214813039666_100000188475 [0,1,0,1,0,0|2,0,0]=4 21430 B15R1.768 CCOC(=O)CNC1CCOCC1CO 34a_214813039666_100000188475 [0,1,0,1,0,0|2,0,0]=4 21431 B15R1.768 CCOC(=O)COC1CCCCC1CC 34a_100000210738_100000188475 [0,1,0,1,0,0|0,0,0]=2 21432 B15R1.768 CCOC(=O)COC1CCCCC1CC 7a_100000210738_100000188475 [0,1,0,1,0,0|0,0,0]=2 21433 B15R1.768 CCOC(=O)COC1CCCCC1CN 34a_100011216029_100000188475 [0,1,0,1,0,0|1,0,0]=3 21434 B15R1.768 CCOC(=O)CO[C@@H]1CCCC[C@H]1NC 34a_100000708425_100000188475 [0,1,0,1,0,0|1,0,0]=3 21435 B15R1.768 CCOC(=O)CO[C@H]1CCCC[C@@H]1OC 34a_200009815850_100000188475 [0,1,0,1,0,0|1,0,0]=3 21436 B15R1.768 CCOC(=O)CO[C@H]1CCCC[C@@H]1OC 7a_200009815850_100000188475 [0,1,0,1,0,0|1,0,0]=3 21437 B15R1.804 CCCC(=O)CNCC1CCCN1CC 2230a_100000211693_100000747444 [0,1,0,1,0,0|2,0,0]=4 21438 B15R1.804 CCCC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000747444 [0,1,0,1,0,0|2,0,0]=4 21439 B15R1.804 CCNC(=O)CCNC1CCCC1CC 269862a_100025743525_100000749056 [0,1,0,1,0,0|1,0,0]=3 21440 B15R1.804 CCNC(=O)CCNC1CCCC1CC 270004a_100025743525_100000749056 [0,1,0,1,0,0|1,0,0]=3 21441 B15R1.804 CCNC(=O)CNCC1CCCN1CC 2230a_100000211693_100000183381 [0,1,0,1,0,0|2,0,0]=4 21442 B15R1.804 CCNC(=O)COC[C@H]1CCCN1CC 34a_100011739246_100000183381 [0,1,0,1,0,0|2,0,0]=4 21443 B15R1.804 CCNC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000183381 [0,1,0,1,0,0|2,0,0]=4 21444 B15R1.804 CCOC(=O)/C=C/CN1CCCC1CC 2230a_100000754278_100016267167 [0,1,0,1,0,0|0,0,2]=4 21445 B15R1.804 CCOC(=O)/C=C/CN1CCCC1CC 269982a_100000754278_100016267167 [0,1,0,1,0,0|0,0,2]=4 21446 B15R1.804 CCOC(=O)/C=C/CN1CCCC1CC 34a_100000754278_100016267167 [0,1,0,1,0,0|0,0,2]=4 21447 B15R1.804 CCOC(=O)CCCN1CC=CC1CC 2230a_100000730860_100009991533 [0,1,0,1,0,0|0,0,2]=4 21448 B15R1.804 CCOC(=O)CCCN1CC=CC1CC 269982a_100000730860_100009991533 [0,1,0,1,0,0|0,0,2]=4 21449 B15R1.804 CCOC(=O)CCCN1CC=CC1CC 34a_100000730860_100009991533 [0,1,0,1,0,0|0,0,2]=4 21450 B15R1.804 CCOC(=O)CCCN1CCCC1C#N 2230a_100000701862_100009991533 [0,1,0,1,0,0|1,0,1]=4 21451 B15R1.804 CCOC(=O)CCCN1CCCC1CC 2230a_100000754278_100009991533 [0,1,0,1,0,0|0,0,0]=2 21452 B15R1.804 CCOC(=O)CCCN1CCCC1CC 269982a_100000754278_100009991533 [0,1,0,1,0,0|0,0,0]=2 21453 B15R1.804 CCOC(=O)CCCN1CCCC1CC 34a_100000754278_100009991533 [0,1,0,1,0,0|0,0,0]=2 21454 B15R1.804 CCOC(=O)CCCN1CCC[C@@H]1C#N 2230a_106645074975_100009991533 [0,1,0,1,0,0|1,0,1]=4 21455 B15R1.804 CCOC(=O)CCCN1CCC[C@@H]1C#N 269982a_106645074975_100009991533 [0,1,0,1,0,0|1,0,1]=4 21456 B15R1.804 CCOC(=O)CCCN1CCC[C@@H]1CO 2230a_100000745186_100009991533 [0,1,0,1,0,0|1,0,0]=3 21457 B15R1.804 CCOC(=O)CCCN1CCC[C@@H]1CO 269982a_100000745186_100009991533 [0,1,0,1,0,0|1,0,0]=3 21458 B15R1.804 CCOC(=O)CCCN1CCC[C@@H]1CO 34a_100000745186_100009991533 [0,1,0,1,0,0|1,0,0]=3 21459 B15R1.804 CCOC(=O)CCO[C@@H]1CCC[C@H]1C#N 34a_100011907464_100000765890 [0,1,0,1,0,0|1,0,1]=4 21460 B15R1.804 CCOC(=O)CCO[C@@H]1CCC[C@H]1C#N 7a_100011907464_100011206558 [0,1,0,1,0,0|1,0,1]=4 21461 B15R1.804 CCOC(=O)CNCC1CCCN1CC 2230a_100000211693_100000188475 [0,1,0,1,0,0|1,0,0]=3 21462 B15R1.804 CCOC(=O)COC[C@H]1CCCN1CC 34a_100011739246_100000188475 [0,1,0,1,0,0|1,0,0]=3 21463 B15R1.804 CCOC(=O)COC[C@H]1CCCN1CC 7a_100011739246_100000188475 [0,1,0,1,0,0|1,0,0]=3 21464 B15R1.804 CCOC(=O)NCCN1CCCC1CC 269982a_100000754278_200011445536 [0,1,0,1,0,0|1,0,0]=3 21465 B15R1.804 CCOC(=O)NCCN1CCC[C@@H]1CO 269982a_100000745186_200011445536 [0,1,0,1,0,0|2,0,0]=4 21466 B15R1.843 C#CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000688953 [0,1,0,1,0,0|0,0,2]=4 21467 B15R1.843 C#CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000730999 [0,1,0,1,0,0|0,0,2]=4 21468 B15R1.843 C#CCOC1CCCCC1C(=O)OCC 7a_100000038711_100000038162 [0,1,0,1,0,0|0,0,2]=4 21469 B15R1.843 C/C=C/CN1CCCCC1C(=O)OCC 269982a_100016990872_100102629194 [0,1,0,1,0,0|0,0,2]=4 21470 B15R1.843 C=CCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000754431 [0,1,0,1,0,0|0,0,2]=4 21471 B15R1.843 C=CCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000754431 [0,1,0,1,0,0|0,0,2]=4 21472 B15R1.843 C=CCOC1CCCCC1C(=O)OCC 7a_100000038711_100015514636 [0,1,0,1,0,0|0,0,2]=4 21473 B15R1.843 CC#CCN1CCCCC1C(=O)OCC 2230a_100016990872_100000748600 [0,1,0,1,0,0|0,0,2]=4 21474 B15R1.843 CC=CCN1CCCCC1C(=O)OCC 2230a_100016990872_100000070051 [0,1,0,1,0,0|0,0,2]=4 21475 B15R1.843 CCCC(=O)N1CCCCC1CCCO 240690a_100011934581_100000211992 [0,1,0,1,0,0|2,0,0]=4 21476 B15R1.843 CCCC(=O)N1CCCCC1CCOC 11a_100015186528_100000211992 [0,1,0,1,0,0|2,0,0]=4 21477 B15R1.843 CCCC(=O)N1CCCCC1CCOC 1626a_100015186528_100000211992 [0,1,0,1,0,0|2,0,0]=4 21478 B15R1.843 CCCC(=O)N1CCCCC1CCOC 240690a_100015186528_100000211992 [0,1,0,1,0,0|2,0,0]=4 21479 B15R1.843 CCCC(=O)N1CCCCC1CCOC 527a_100015186528_100000211992 [0,1,0,1,0,0|2,0,0]=4 21480 B15R1.843 CCCCN1CCCCC1C(=O)OCC 2230a_100016990872_100000210211 [0,1,0,1,0,0|0,0,0]=2 21481 B15R1.843 CCCCN1CCCCC1C(=O)OCC 269982a_100016990872_100000210211 [0,1,0,1,0,0|0,0,0]=2 21482 B15R1.843 CCCCN1CCOC[C@H]1C(=O)OCC 2230a_100015229691_100000210211 [0,1,0,1,0,0|1,0,0]=3 21483 B15R1.843 CCCCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000210211 [0,1,0,1,0,0|1,0,0]=3 21484 B15R1.843 CCCCN1CCSCC1C(=O)OCC 2230a_100000735462_100000210211 [0,1,0,1,0,0|1,0,0]=3 21485 B15R1.843 CCCCN1CCSCC1C(=O)OCC 269982a_100000735462_100000210211 [0,1,0,1,0,0|1,0,0]=3 21486 B15R1.843 CCCOC1CCCCC1C(=O)OCC 7a_100000038711_100000210303 [0,1,0,1,0,0|0,0,0]=2 21487 B15R1.843 CCNC(=O)N1CCCCC1CCCO 2708a_100015525214_100011934581 [0,1,0,1,0,0|2,0,0]=4 21488 B15R1.843 CCNC(=O)N1CCCCC1CCCO 273464a_100015525214_100011934581 [0,1,0,1,0,0|2,0,0]=4 21489 B15R1.843 CCNC(=O)N1CCCCC1CCOC 2708a_100015525214_100015186528 [0,1,0,1,0,0|2,0,0]=4 21490 B15R1.843 CCNC(=O)N1CCCCC1CCOC 273464a_100015525214_100015186528 [0,1,0,1,0,0|2,0,0]=4 21491 B15R1.843 CCNN=C1CCCCC1C(=O)OCC 4a_100000756455_100000211989 [0,1,0,1,0,0|1,0,1]=4 21492 B15R1.843 CCOC(=O)C1CCCCC1OCC#N 7a_100000038711_100011215382 [0,1,0,1,0,0|1,0,1]=4 21493 B15R1.843 CCOC(=O)C1CCCCC1OCC=O 7a_100000038711_200015260668 [0,1,0,1,0,0|1,0,1]=4 21494 B15R1.843 CCOC(=O)C1CCCCC1OCCF 7a_100000038711_100011217306 [0,1,0,1,0,0|1,0,0]=3 21495 B15R1.843 CCOC(=O)C1CCCCC1OCCO 7a_100000038711_100000211926 [0,1,0,1,0,0|1,0,0]=3 21496 B15R1.843 CCOC(=O)C1CCCCN1CCC#N 2230a_100016990872_100011215226 [0,1,0,1,0,0|1,0,1]=4 21497 B15R1.843 CCOC(=O)C1CCCCN1CCC#N 269982a_100016990872_100011215226 [0,1,0,1,0,0|1,0,1]=4 21498 B15R1.843 CCOC(=O)C1CCCCN1CCCF 2230a_100016990872_100011934791 [0,1,0,1,0,0|1,0,0]=3 21499 B15R1.843 CCOC(=O)C1CCCCN1CCCF 269982a_100016990872_100011934791 [0,1,0,1,0,0|1,0,0]=3 21500 B15R1.843 CCOC(=O)C1CCCCN1CCCO 2230a_100016990872_100000230001 [0,1,0,1,0,0|1,0,0]=3 21501 B15R1.843 CCOC(=O)C1CCCCN1CCCO 269982a_100016990872_100011215043 [0,1,0,1,0,0|1,0,0]=3 21502 B15R1.843 CCOC(=O)C1CCCCN1CCOC 2230a_100016990872_100011201679 [0,1,0,1,0,0|1,0,0]=3 21503 B15R1.843 CCOC(=O)C1CCCCN1CCOC 269982a_100016990872_100000233755 [0,1,0,1,0,0|1,0,0]=3 21504 B15R1.843 CCOC(=O)C1CCCCN1CCSC 2230a_100016990872_100000751147 [0,1,0,1,0,0|1,0,0]=3 21505 B15R1.843 CCOC(=O)C1CCCCN1CCSC 269982a_100016990872_100000212216 [0,1,0,1,0,0|1,0,0]=3 21506 B15R1.843 CCOC(=O)C1CSCCN1CCCF 2230a_100000735462_100011934791 [0,1,0,1,0,0|2,0,0]=4 21507 B15R1.843 CCOC(=O)C1CSCCN1CCCF 269982a_100000735462_100011934791 [0,1,0,1,0,0|2,0,0]=4 21508 B15R1.843 CCOC(=O)C1CSCCN1CCCO 2230a_100000735462_100000230001 [0,1,0,1,0,0|2,0,0]=4 21509 B15R1.843 CCOC(=O)C1CSCCN1CCCO 269982a_100000735462_100011215043 [0,1,0,1,0,0|2,0,0]=4 21510 B15R1.843 CCOC(=O)C1CSCCN1CCOC 2230a_100000735462_100011201679 [0,1,0,1,0,0|2,0,0]=4 21511 B15R1.843 CCOC(=O)C1CSCCN1CCOC 269982a_100000735462_100000233755 [0,1,0,1,0,0|2,0,0]=4 21512 B15R1.843 CCOC(=O)C1CSCCN1CCSC 2230a_100000735462_100000751147 [0,1,0,1,0,0|2,0,0]=4 21513 B15R1.843 CCOC(=O)C1CSCCN1CCSC 269982a_100000735462_100000212216 [0,1,0,1,0,0|2,0,0]=4 21514 B15R1.843 CCOC(=O)[C@@H]1COCCN1CCCF 2230a_100015229691_100011934791 [0,1,0,1,0,0|2,0,0]=4 21515 B15R1.843 CCOC(=O)[C@@H]1COCCN1CCCF 269982a_100015229691_100011934791 [0,1,0,1,0,0|2,0,0]=4 21516 B15R1.843 CCOC(=O)[C@@H]1COCCN1CCCO 2230a_100015229691_100000230001 [0,1,0,1,0,0|2,0,0]=4 21517 B15R1.843 CCOC(=O)[C@@H]1COCCN1CCCO 269982a_100015229691_100011215043 [0,1,0,1,0,0|2,0,0]=4 21518 B15R1.843 CCOC(=O)[C@@H]1COCCN1CCOC 2230a_100015229691_100011201679 [0,1,0,1,0,0|2,0,0]=4 21519 B15R1.843 CCOC(=O)[C@@H]1COCCN1CCOC 269982a_100015229691_100000233755 [0,1,0,1,0,0|2,0,0]=4 21520 B15R1.843 CCOC(=O)[C@@H]1COCCN1CCSC 2230a_100015229691_100000751147 [0,1,0,1,0,0|2,0,0]=4 21521 B15R1.843 CCOC(=O)[C@@H]1COCCN1CCSC 269982a_100015229691_100000212216 [0,1,0,1,0,0|2,0,0]=4 21522 B15R1.843 CCOCN1CCCCC1C(=O)OCC 269982a_100016990872_100000739092 [0,1,0,1,0,0|1,0,0]=3 21523 B15R1.843 CCOCN1CCOC[C@H]1C(=O)OCC 269982a_100015229691_100000739092 [0,1,0,1,0,0|2,0,0]=4 21524 B15R1.843 CCOCN1CCSCC1C(=O)OCC 269982a_100000735462_100000739092 [0,1,0,1,0,0|2,0,0]=4 21525 B15R1.854 CCCCC1C=CCN1CC(=O)OCC 2230a_100015184376_100000188475 [0,1,0,1,0,0|0,0,2]=4 21526 B15R1.854 CCCCC1C=CCN1CC(=O)OCC 269982a_100015184376_100000188475 [0,1,0,1,0,0|0,0,2]=4 21527 B15R1.854 CCCCC1C=CCN1CC(=O)OCC 34a_100015184376_100000188475 [0,1,0,1,0,0|0,0,2]=4 21528 B15R1.854 CCNN=C1CCCC1CC(=O)OCC 4a_100000756455_100000033388 [0,1,0,1,0,0|1,0,1]=4 21529 B15R1.1176 CCCCCNCC1CCC(=CC1C)C 269862a_100000209983_100000075207 [0,1,0,1,0,0|2,0,0]=4 21530 B15R1.1251 CCOC(=O)CSC1CCCCCC1=O 62a_100000188475_100000243696 [0,1,0,1,0,0|1,0,1]=4 21531 B15R1.1251 CCOC(=O)CSC1CCCCCC1=O 62a_100000243696_100000188475 [0,1,0,1,0,0|1,0,1]=4 21532 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210681 [0,1,0,1,0,0|1,0,0]=3 21533 B15R1.1950 CCCCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210681 [0,1,0,1,0,0|1,0,0]=3 21534 B15R1.1950 CCCCOCCN1CCNC(=O)CC1 2230a_100000698595_100000743108 [0,1,0,1,0,0|2,0,0]=4 21535 B15R1.1950 CCCCOCCN1CCNC(=O)CC1 269982a_100000698595_100000743108 [0,1,0,1,0,0|2,0,0]=4 21536 B15R1.1950 O=C1CCN(CCN1)CCCCCCF 2230a_100000698595_100015922095 [0,1,0,1,0,0|2,0,0]=4 21537 B15R1.1950 O=C1CCN(CCN1)CCCCCCF 269982a_100000698595_100015922095 [0,1,0,1,0,0|2,0,0]=4 21538 B15R1.1950 O=C1CCN(CCN1)CCCCCCO 2230a_100000698595_100000766143 [0,1,0,1,0,0|2,0,0]=4 21539 B15R1.1950 O=C1CCN(CCN1)CCCCCCO 269982a_100000698595_100000766143 [0,1,0,1,0,0|2,0,0]=4 21540 B15R1.2461 C=COC(=O)CNCC1CCCCCC1 2230a_100015204231_100000036128 [0,1,0,1,0,0|0,0,2]=4 21541 B15R1.2461 C=COC(=O)CNCC1CCCCCC1 34a_100015204231_100000036128 [0,1,0,1,0,0|0,0,2]=4 21542 B15R1.2461 C=COC(=O)COCC1CCCCCC1 34a_100000699130_100000036128 [0,1,0,1,0,0|0,0,2]=4 21543 B15R1.2461 C=COC(=O)CSCC1CCCCCC1 62a_100000036128_200000696569 [0,1,0,1,0,0|0,0,2]=4 21544 B15R1.2461 C=COC(=O)CSCC1CCCCCC1 62a_200000696569_100000036128 [0,1,0,1,0,0|0,0,2]=4 21545 B15R1.2461 CC=CC(=O)NCCC1CCCCCC1 11a_100011532351_100000210699 [0,1,0,1,0,0|1,0,1]=4 21546 B15R1.2461 CC=CC(=O)NCCC1CCCCCC1 1626a_100011532351_100000210699 [0,1,0,1,0,0|1,0,1]=4 21547 B15R1.2461 CC=CC(=O)NCCC1CCCCCC1 240690a_100011532351_100000210699 [0,1,0,1,0,0|1,0,1]=4 21548 B15R1.2461 CCCC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747444 [0,1,0,1,0,0|1,0,0]=3 21549 B15R1.2461 CCCC(=O)COCC1CCCCCC1 7a_100000699130_100000747444 [0,1,0,1,0,0|1,0,0]=3 21550 B15R1.2461 CCCC(=O)CSCC1CCCCCC1 62a_100000747444_200000696569 [0,1,0,1,0,0|1,0,0]=3 21551 B15R1.2461 CCCC(=O)CSCC1CCCCCC1 62a_200000696569_100000747444 [0,1,0,1,0,0|1,0,0]=3 21552 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 11a_100011532351_100000211992 [0,1,0,1,0,0|1,0,0]=3 21553 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000211992 [0,1,0,1,0,0|1,0,0]=3 21554 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000211992 [0,1,0,1,0,0|1,0,0]=3 21555 B15R1.2461 CCCC(=O)NCCC1CCCCCC1 527a_100011532351_100000211992 [0,1,0,1,0,0|1,0,0]=3 21556 B15R1.2461 CCCC(=O)NCCN1CCCCCC1 11a_100000738142_100000211992 [0,1,0,1,0,0|2,0,0]=4 21557 B15R1.2461 CCCC(=O)NCCN1CCCCCC1 240690a_100000738142_100000211992 [0,1,0,1,0,0|2,0,0]=4 21558 B15R1.2461 CCCC(=O)NCCN1CCCCCC1 527a_100000738142_100000211992 [0,1,0,1,0,0|2,0,0]=4 21559 B15R1.2461 CCCC(=O)OCNC1CCCCCC1 2230a_100000210984_100000034017 [0,1,0,1,0,0|2,0,0]=4 21560 B15R1.2461 CCCC(=O)OCNC1CCCCCC1 34a_100000210984_100000034017 [0,1,0,1,0,0|2,0,0]=4 21561 B15R1.2461 CCCC(=O)OCOC1CCCCCC1 34a_100000210887_100000034017 [0,1,0,1,0,0|2,0,0]=4 21562 B15R1.2461 CCCC(=O)OCSC1CCCCCC1 62a_100011217769_100000034017 [0,1,0,1,0,0|2,0,0]=4 21563 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 2230a_100000210984_100000737597 [0,1,0,1,0,0|1,0,0]=3 21564 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 270004a_100025743525_100000210131 [0,1,0,1,0,0|1,0,0]=3 21565 B15R1.2461 CCNC(=O)CCNC1CCCCCC1 34a_100025743525_100011217769 [0,1,0,1,0,0|1,0,0]=3 21566 B15R1.2461 CCNC(=O)CCNC1CCCNCC1 270004a_100025743525_100015187895 [0,1,0,1,0,0|2,0,0]=4 21567 B15R1.2461 CCNC(=O)CCOC1CCCCCC1 7a_100000210887_100000737597 [0,1,0,1,0,0|1,0,0]=3 21568 B15R1.2461 CCNC(=O)CCSC1CCCCCC1 62a_100000737597_100011217769 [0,1,0,1,0,0|1,0,0]=3 21569 B15R1.2461 CCNC(=O)CCSC1CCCCCC1 62a_100011217769_100000737597 [0,1,0,1,0,0|1,0,0]=3 21570 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 2230a_100015204231_100000183381 [0,1,0,1,0,0|1,0,0]=3 21571 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 2230a_100016988866_200000696569 [0,1,0,1,0,0|1,0,0]=3 21572 B15R1.2461 CCNC(=O)CNCC1CCCCCC1 34a_100015204231_100000183381 [0,1,0,1,0,0|1,0,0]=3 21573 B15R1.2461 CCNC(=O)COCC1CCCCCC1 34a_100000699130_100000183381 [0,1,0,1,0,0|1,0,0]=3 21574 B15R1.2461 CCNC(=O)COCC1CCCCCC1 7a_100000699130_100000183381 [0,1,0,1,0,0|1,0,0]=3 21575 B15R1.2461 CCNC(=O)CSCC1CCCCCC1 62a_100000183381_200000696569 [0,1,0,1,0,0|1,0,0]=3 21576 B15R1.2461 CCNC(=O)CSCC1CCCCCC1 62a_200000696569_100000183381 [0,1,0,1,0,0|1,0,0]=3 21577 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 2708a_100011532351_100015525214 [0,1,0,1,0,0|1,0,0]=3 21578 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 2708a_100015525214_100011532351 [0,1,0,1,0,0|1,0,0]=3 21579 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 273464a_100011532351_100015525214 [0,1,0,1,0,0|1,0,0]=3 21580 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 273464a_100015525214_100011532351 [0,1,0,1,0,0|1,0,0]=3 21581 B15R1.2461 CCNC(=O)NCCC1CCCCCC1 512a_100015525214_100011532351 [0,1,0,1,0,0|1,0,0]=3 21582 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 2708a_100015525214_100000738142 [0,1,0,1,0,0|2,0,0]=4 21583 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 273464a_100000738142_100015525214 [0,1,0,1,0,0|2,0,0]=4 21584 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 273464a_100015525214_100000738142 [0,1,0,1,0,0|2,0,0]=4 21585 B15R1.2461 CCNC(=O)NCCN1CCCCCC1 512a_100000738142_100015525214 [0,1,0,1,0,0|2,0,0]=4 21586 B15R1.2461 CCOC(=O)/C=C/CN1CCCCCC1 2230a_100000185865_100016267167 [0,1,0,1,0,0|0,0,2]=4 21587 B15R1.2461 CCOC(=O)/C=C/CN1CCCCCC1 269982a_100000185865_100016267167 [0,1,0,1,0,0|0,0,2]=4 21588 B15R1.2461 CCOC(=O)/C=C/CN1CCCCCC1 34a_100000185865_100016267167 [0,1,0,1,0,0|0,0,2]=4 21589 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 2230a_100000185865_100009991533 [0,1,0,1,0,0|0,0,0]=2 21590 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 269982a_100000185865_100009991533 [0,1,0,1,0,0|0,0,0]=2 21591 B15R1.2461 CCOC(=O)CCCN1CCCCCC1 34a_100000185865_100009991533 [0,1,0,1,0,0|0,0,0]=2 21592 B15R1.2461 CCOC(=O)CCCN1CCCOCC1 2230a_100000685342_100009991533 [0,1,0,1,0,0|1,0,0]=3 21593 B15R1.2461 CCOC(=O)CCCN1CCCOCC1 269982a_100000685342_100009991533 [0,1,0,1,0,0|1,0,0]=3 21594 B15R1.2461 CCOC(=O)CCCN1CCCOCC1 34a_100000685342_100009991533 [0,1,0,1,0,0|1,0,0]=3 21595 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 2230a_100000210984_100011206558 [0,1,0,1,0,0|0,0,0]=2 21596 B15R1.2461 CCOC(=O)CCNC1CCCCCC1 34a_100000210984_100000765890 [0,1,0,1,0,0|0,0,0]=2 21597 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 34a_100000210887_100000765890 [0,1,0,1,0,0|0,0,0]=2 21598 B15R1.2461 CCOC(=O)CCOC1CCCCCC1 7a_100000210887_100011206558 [0,1,0,1,0,0|0,0,0]=2 21599 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100000765890_100011217769 [0,1,0,1,0,0|0,0,0]=2 21600 B15R1.2461 CCOC(=O)CCSC1CCCCCC1 62a_100011217769_100000765890 [0,1,0,1,0,0|0,0,0]=2 21601 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 2230a_100015204231_100000188475 [0,1,0,1,0,0|0,0,0]=2 21602 B15R1.2461 CCOC(=O)CNCC1CCCCCC1 34a_100015204231_100000188475 [0,1,0,1,0,0|0,0,0]=2 21603 B15R1.2461 CCOC(=O)COCC1CCCCCC1 34a_100000699130_100000188475 [0,1,0,1,0,0|0,0,0]=2 21604 B15R1.2461 CCOC(=O)COCC1CCCCCC1 7a_100000699130_100000188475 [0,1,0,1,0,0|0,0,0]=2 21605 B15R1.2461 CCOC(=O)COCC1CNCCOC1 34a_100103147999_100000188475 [0,1,0,1,0,0|2,0,0]=4 21606 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_100000188475_200000696569 [0,1,0,1,0,0|0,0,0]=2 21607 B15R1.2461 CCOC(=O)CSCC1CCCCCC1 62a_200000696569_100000188475 [0,1,0,1,0,0|0,0,0]=2 21608 B15R1.2461 CCOC(=O)NCCN1CCCCCC1 269982a_100000185865_200011445536 [0,1,0,1,0,0|1,0,0]=3 21609 B15R1.2461 CCOC(=O)NCCN1CCCOCC1 269982a_100000685342_200011445536 [0,1,0,1,0,0|2,0,0]=4 21610 B15R1.2461 CCOC(=O)OCSC1CCCCCC1 62a_100011217769_100000075025 [0,1,0,1,0,0|1,0,0]=3 21611 B15R1.2461 CNNC(=O)NCCC1CCCCCC1 273464a_100011532351_100016993582 [0,1,0,1,0,0|2,0,0]=4 21612 B15R1.2461 CNNC(=O)NCCC1CCCCCC1 512a_100016993582_100011532351 [0,1,0,1,0,0|2,0,0]=4 21613 B15R1.2461 COCC(=O)NCCC1CCCCCC1 11a_100011532351_100000210968 [0,1,0,1,0,0|2,0,0]=4 21614 B15R1.2461 COCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000210968 [0,1,0,1,0,0|2,0,0]=4 21615 B15R1.2461 COCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000210968 [0,1,0,1,0,0|2,0,0]=4 21616 B15R1.2461 COCC(=O)NCCC1CCCCCC1 527a_100011532351_100000210968 [0,1,0,1,0,0|2,0,0]=4 21617 B15R1.2461 CSCC(=O)NCCC1CCCCCC1 11a_100011532351_100000184570 [0,1,0,1,0,0|2,0,0]=4 21618 B15R1.2461 CSCC(=O)NCCC1CCCCCC1 1626a_100011532351_100000184570 [0,1,0,1,0,0|2,0,0]=4 21619 B15R1.2461 CSCC(=O)NCCC1CCCCCC1 240690a_100011532351_100000184570 [0,1,0,1,0,0|2,0,0]=4 21620 B15R1.2461 CSCC(=O)NCCC1CCCCCC1 527a_100011532351_100000184570 [0,1,0,1,0,0|2,0,0]=4 21621 B15R1.2461 O=C(CCO)NCCC1CCCCCC1 240690a_100011532351_100011216618 [0,1,0,1,0,0|2,0,0]=4 21622 B15R1.2461 O=C(CNCC1CCCCCC1)NCO 2230a_100015204231_100000185155 [0,1,0,1,0,0|2,0,0]=4 21623 B15R1.2461 O=C(CNCC1CCCCCC1)NCO 34a_100015204231_100000185155 [0,1,0,1,0,0|2,0,0]=4 21624 B15R1.2461 O=C(COCC1CCCCCC1)NCO 34a_100000699130_100000185155 [0,1,0,1,0,0|2,0,0]=4 21625 B15R1.2461 O=C(COCC1CCCCCC1)NCO 7a_100000699130_100000185155 [0,1,0,1,0,0|2,0,0]=4 21626 B15R1.2461 O=C(CSCC1CCCCCC1)NCO 62a_100000185155_200000696569 [0,1,0,1,0,0|2,0,0]=4 21627 B15R1.2461 O=C(CSCC1CCCCCC1)NCO 62a_200000696569_100000185155 [0,1,0,1,0,0|2,0,0]=4 21628 B15R1.3870 CCOC(=O)CCCN1CCC1COC 2230a_100015195929_100009991533 [0,1,0,1,0,0|1,0,0]=3 21629 B15R1.3870 CCOC(=O)CCCN1CCC1COC 269982a_100015195929_100009991533 [0,1,0,1,0,0|1,0,0]=3 21630 B15R1.3870 CCOC(=O)CCCN1CCC1COC 34a_100015195929_100009991533 [0,1,0,1,0,0|1,0,0]=3 21631 B15R1.3870 CCOC(=O)NCCN1CCC1COC 269982a_100015195929_200011445536 [0,1,0,1,0,0|2,0,0]=4 21632 B15R1.3880 C#CCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000038162 [0,1,0,1,0,0|0,0,2]=4 21633 B15R1.3880 C=CCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210623 [0,1,0,1,0,0|0,0,2]=4 21634 B15R1.3880 C=CCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210623 [0,1,0,1,0,0|0,0,2]=4 21635 B15R1.3880 C=COC(=O)CN1CCCCC1CCC 2230a_100000701414_100000036128 [0,1,0,1,0,0|0,0,2]=4 21636 B15R1.3880 C=COC(=O)CN1CCCCC1CCC 269982a_100000701414_100000036128 [0,1,0,1,0,0|0,0,2]=4 21637 B15R1.3880 C=COC(=O)CN1CCCCC1CCC 34a_100000701414_100000036128 [0,1,0,1,0,0|0,0,2]=4 21638 B15R1.3880 CCCC(=O)CN1CCCCC1CCC 2230a_100000701414_100000747444 [0,1,0,1,0,0|1,0,0]=3 21639 B15R1.3880 CCCC(=O)CN1CCCCC1CCC 269982a_100000701414_100000747444 [0,1,0,1,0,0|1,0,0]=3 21640 B15R1.3880 CCCC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747444 [0,1,0,1,0,0|2,0,0]=4 21641 B15R1.3880 CCCC(=O)CN1CCCCC1CCO 269982a_100000211664_100000747444 [0,1,0,1,0,0|2,0,0]=4 21642 B15R1.3880 CCCC(=O)CN1CCCCC1COC 2230a_100015184032_100000747444 [0,1,0,1,0,0|2,0,0]=4 21643 B15R1.3880 CCCC(=O)CN1CCCCC1COC 269982a_100015184032_100000747444 [0,1,0,1,0,0|2,0,0]=4 21644 B15R1.3880 CCCC(=O)CN1CCOCC1CCC 2230a_102495339903_100000747444 [0,1,0,1,0,0|2,0,0]=4 21645 B15R1.3880 CCCC(=O)CN1CCOCC1CCC 269982a_102495339903_100000747444 [0,1,0,1,0,0|2,0,0]=4 21646 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 2230a_100000701414_100000183381 [0,1,0,1,0,0|1,0,0]=3 21647 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 269982a_100000701414_100000183381 [0,1,0,1,0,0|1,0,0]=3 21648 B15R1.3880 CCCC1CCCCN1CC(=O)NCC 34a_100000701414_100000183381 [0,1,0,1,0,0|1,0,0]=3 21649 B15R1.3880 CCCC1CCCCN1CC(=O)NCO 2230a_100000701414_100000185155 [0,1,0,1,0,0|2,0,0]=4 21650 B15R1.3880 CCCC1CCCCN1CC(=O)NCO 269982a_100000701414_100000185155 [0,1,0,1,0,0|2,0,0]=4 21651 B15R1.3880 CCCC1CCCCN1CC(=O)NCO 34a_100000701414_100000185155 [0,1,0,1,0,0|2,0,0]=4 21652 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 2230a_100000701414_100000188475 [0,1,0,1,0,0|0,0,0]=2 21653 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 269982a_100000701414_100000188475 [0,1,0,1,0,0|0,0,0]=2 21654 B15R1.3880 CCCC1CCCCN1CC(=O)OCC 34a_100000701414_100000188475 [0,1,0,1,0,0|0,0,0]=2 21655 B15R1.3880 CCCC1COCCN1CC(=O)NCC 2230a_102495339903_100000183381 [0,1,0,1,0,0|2,0,0]=4 21656 B15R1.3880 CCCC1COCCN1CC(=O)NCC 269982a_102495339903_100000183381 [0,1,0,1,0,0|2,0,0]=4 21657 B15R1.3880 CCCC1COCCN1CC(=O)NCC 34a_102495339903_100000183381 [0,1,0,1,0,0|2,0,0]=4 21658 B15R1.3880 CCCC1COCCN1CC(=O)OCC 2230a_102495339903_100000188475 [0,1,0,1,0,0|1,0,0]=3 21659 B15R1.3880 CCCC1COCCN1CC(=O)OCC 269982a_102495339903_100000188475 [0,1,0,1,0,0|1,0,0]=3 21660 B15R1.3880 CCCC1COCCN1CC(=O)OCC 34a_102495339903_100000188475 [0,1,0,1,0,0|1,0,0]=3 21661 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 2230a_100116209990_100000210303 [0,1,0,1,0,0|0,0,0]=2 21662 B15R1.3880 CCCN1CCCCC1CC(=O)OCC 269982a_100116209990_100000210303 [0,1,0,1,0,0|0,0,0]=2 21663 B15R1.3880 CCNC(=O)CN1CCCCC1CCO 2230a_100000211664_100000183381 [0,1,0,1,0,0|2,0,0]=4 21664 B15R1.3880 CCNC(=O)CN1CCCCC1CCO 269982a_100000211664_100000183381 [0,1,0,1,0,0|2,0,0]=4 21665 B15R1.3880 CCNC(=O)CN1CCCCC1CCO 34a_100000211664_100000183381 [0,1,0,1,0,0|2,0,0]=4 21666 B15R1.3880 CCNC(=O)CN1CCCCC1COC 2230a_100015184032_100000183381 [0,1,0,1,0,0|2,0,0]=4 21667 B15R1.3880 CCNC(=O)CN1CCCCC1COC 269982a_100015184032_100000183381 [0,1,0,1,0,0|2,0,0]=4 21668 B15R1.3880 CCNC(=O)CN1CCCCC1COC 34a_100015184032_100000183381 [0,1,0,1,0,0|2,0,0]=4 21669 B15R1.3880 CCOC(=O)CC1CCCCN1CC#N 2230a_100116209990_100011215382 [0,1,0,1,0,0|1,0,1]=4 21670 B15R1.3880 CCOC(=O)CC1CCCCN1CC#N 269982a_100116209990_100011214920 [0,1,0,1,0,0|1,0,1]=4 21671 B15R1.3880 CCOC(=O)CC1CCCCN1CC=O 2230a_100116209990_200015260668 [0,1,0,1,0,0|1,0,1]=4 21672 B15R1.3880 CCOC(=O)CC1CCCCN1CC=O 269982a_100116209990_200015260668 [0,1,0,1,0,0|1,0,1]=4 21673 B15R1.3880 CCOC(=O)CC1CCCCN1CCF 2230a_100116209990_100011217306 [0,1,0,1,0,0|1,0,0]=3 21674 B15R1.3880 CCOC(=O)CC1CCCCN1CCF 269982a_100116209990_100011217306 [0,1,0,1,0,0|1,0,0]=3 21675 B15R1.3880 CCOC(=O)CC1CCCCN1CCO 2230a_100116209990_100000211926 [0,1,0,1,0,0|1,0,0]=3 21676 B15R1.3880 CCOC(=O)CC1CCCCN1CCO 269982a_100116209990_100000211926 [0,1,0,1,0,0|1,0,0]=3 21677 B15R1.3880 CCOC(=O)CC1CCCCN1COC 2230a_100116209990_100000766300 [0,1,0,1,0,0|1,0,0]=3 21678 B15R1.3880 CCOC(=O)CC1CCCCN1COC 269982a_100116209990_100000766300 [0,1,0,1,0,0|1,0,0]=3 21679 B15R1.3880 CCOC(=O)CC1CCCCN1CSC 2230a_100116209990_100011218213 [0,1,0,1,0,0|1,0,0]=3 21680 B15R1.3880 CCOC(=O)CC1CCCCN1CSC 269982a_100116209990_100011218213 [0,1,0,1,0,0|1,0,0]=3 21681 B15R1.3880 CCOC(=O)CN1CCCCC1CC#N 2230a_100000133382_100000188475 [0,1,0,1,0,0|1,0,1]=4 21682 B15R1.3880 CCOC(=O)CN1CCCCC1CC#N 34a_100000133382_100000188475 [0,1,0,1,0,0|1,0,1]=4 21683 B15R1.3880 CCOC(=O)CN1CCCCC1CCO 2230a_100000211664_100000188475 [0,1,0,1,0,0|1,0,0]=3 21684 B15R1.3880 CCOC(=O)CN1CCCCC1CCO 269982a_100000211664_100000188475 [0,1,0,1,0,0|1,0,0]=3 21685 B15R1.3880 CCOC(=O)CN1CCCCC1CCO 34a_100000211664_100000188475 [0,1,0,1,0,0|1,0,0]=3 21686 B15R1.3880 CCOC(=O)CN1CCCCC1COC 2230a_100015184032_100000188475 [0,1,0,1,0,0|1,0,0]=3 21687 B15R1.3880 CCOC(=O)CN1CCCCC1COC 269982a_100015184032_100000188475 [0,1,0,1,0,0|1,0,0]=3 21688 B15R1.3880 CCOC(=O)CN1CCCCC1COC 34a_100015184032_100000188475 [0,1,0,1,0,0|1,0,0]=3 21689 B15R1.3880 CCOC(=O)CN1CCOC[C@@H]1COC 2230a_100016989928_100000188475 [0,1,0,1,0,0|2,0,0]=4 21690 B15R1.3880 CCOC(=O)CN1CCOC[C@@H]1COC 269982a_100016989928_100000188475 [0,1,0,1,0,0|2,0,0]=4 21691 B15R1.3880 CCOC(=O)CN1CCOC[C@@H]1COC 34a_100016989928_100000188475 [0,1,0,1,0,0|2,0,0]=4 21692 B15R1.6333 CCCCCCCCN1CC(C1)OCC 269982a_100000732654_100000210759 [0,1,0,1,0,0|1,0,1]=4 21693 B15R1.6333 CCCCCCCCN1CC(C1)OCC 34a_100000732654_100000210759 [0,1,0,1,0,0|1,0,1]=4 21694 B15R1.9209 C#CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000731252 [0,1,0,1,0,0|0,0,2]=4 21695 B15R1.9209 C#CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100011215417 [0,1,0,1,0,0|0,0,2]=4 21696 B15R1.9209 C#CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000688953 [0,1,0,1,0,0|0,0,2]=4 21697 B15R1.9209 C/C=C/CO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100102629194 [0,1,0,1,0,0|0,0,2]=4 21698 B15R1.9209 C=CCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100011713584 [0,1,0,1,0,0|0,0,2]=4 21699 B15R1.9209 C=CCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000757094 [0,1,0,1,0,0|0,0,2]=4 21700 B15R1.9209 C=CCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000754431 [0,1,0,1,0,0|0,0,2]=4 21701 B15R1.9209 CC#CCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000748600 [0,1,0,1,0,0|0,0,2]=4 21702 B15R1.9209 CC/C=C\CN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100103147603 [0,1,0,1,0,0|0,0,2]=4 21703 B15R1.9209 CC/C=C\CN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100103147603 [0,1,0,1,0,0|0,0,2]=4 21704 B15R1.9209 CC=CCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000070051 [0,1,0,1,0,0|0,0,2]=4 21705 B15R1.9209 CCC#CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100009813939 [0,1,0,1,0,0|0,0,2]=4 21706 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 2230a_100020641767_100000210326 [0,1,0,1,0,0|1,0,0]=3 21707 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 269982a_100020641767_100000210215 [0,1,0,1,0,0|1,0,0]=3 21708 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)NCC 34a_100020641767_100000718602 [0,1,0,1,0,0|1,0,0]=3 21709 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000210326 [0,1,0,1,0,0|0,0,0]=2 21710 B15R1.9209 CCCCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000210215 [0,1,0,1,0,0|0,0,0]=2 21711 B15R1.9209 CCCCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100000210215 [0,1,0,1,0,0|1,0,0]=3 21712 B15R1.9209 CCCCO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000210211 [0,1,0,1,0,0|0,0,0]=2 21713 B15R1.9209 CCCNN=C1CCCC1C(=O)OCC 4a_100000740057_100000183750 [0,1,0,1,0,0|1,0,1]=4 21714 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCF 2230a_100020641767_100000729493 [0,1,0,1,0,0|2,0,0]=4 21715 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCF 269982a_100020641767_100000729493 [0,1,0,1,0,0|2,0,0]=4 21716 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCF 34a_100020641767_100000729493 [0,1,0,1,0,0|2,0,0]=4 21717 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCO 2230a_100020641767_100000210776 [0,1,0,1,0,0|2,0,0]=4 21718 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCO 269982a_100020641767_100000210776 [0,1,0,1,0,0|2,0,0]=4 21719 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCCO 34a_100020641767_100011216708 [0,1,0,1,0,0|2,0,0]=4 21720 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCOC 2230a_100020641767_100000740836 [0,1,0,1,0,0|2,0,0]=4 21721 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCOC 269982a_100020641767_100000740836 [0,1,0,1,0,0|2,0,0]=4 21722 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCCOC 34a_100020641767_100000740836 [0,1,0,1,0,0|2,0,0]=4 21723 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCOCC 2230a_100020641767_100011215890 [0,1,0,1,0,0|2,0,0]=4 21724 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCOCC 269982a_100020641767_100011215890 [0,1,0,1,0,0|2,0,0]=4 21725 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCOCC 34a_100020641767_100000210147 [0,1,0,1,0,0|2,0,0]=4 21726 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCSCC 2230a_100020641767_100000757381 [0,1,0,1,0,0|2,0,0]=4 21727 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCSCC 269982a_100020641767_100000757381 [0,1,0,1,0,0|2,0,0]=4 21728 B15R1.9209 CCNC(=O)[C@@H]1CCCN1CCSCC 34a_100020641767_100000757381 [0,1,0,1,0,0|2,0,0]=4 21729 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCC#N 2230a_100000703725_100000687738 [0,1,0,1,0,0|1,0,1]=4 21730 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCC#N 269982a_100000703725_100000687738 [0,1,0,1,0,0|1,0,1]=4 21731 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCC=O 2230a_100000703725_200011292268 [0,1,0,1,0,0|1,0,1]=4 21732 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCC=O 269982a_100000703725_200011292268 [0,1,0,1,0,0|1,0,1]=4 21733 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCCF 2230a_100000703725_100000729493 [0,1,0,1,0,0|1,0,0]=3 21734 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCCF 269982a_100000703725_100000729493 [0,1,0,1,0,0|1,0,0]=3 21735 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCCO 2230a_100000703725_100000210776 [0,1,0,1,0,0|1,0,0]=3 21736 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCCO 269982a_100000703725_100000210776 [0,1,0,1,0,0|1,0,0]=3 21737 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCOC 2230a_100000703725_100000740836 [0,1,0,1,0,0|1,0,0]=3 21738 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCCOC 269982a_100000703725_100000740836 [0,1,0,1,0,0|1,0,0]=3 21739 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCSCC 2230a_100000703725_100000757381 [0,1,0,1,0,0|1,0,0]=3 21740 B15R1.9209 CCOC(=O)[C@@H]1CCCN1CCSCC 269982a_100000703725_100000757381 [0,1,0,1,0,0|1,0,0]=3 21741 B15R1.9209 CCOC(=O)[C@@H]1CCC[C@@H]1OCCC#N 7a_200015395474_100000184422 [0,1,0,1,0,0|1,0,1]=4 21742 B15R1.9209 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCF 7a_200015395474_100011934791 [0,1,0,1,0,0|1,0,0]=3 21743 B15R1.9209 CCOC(=O)[C@@H]1CCC[C@@H]1OCCCO 7a_200015395474_100011215043 [0,1,0,1,0,0|1,0,0]=3 21744 B15R1.9209 CCOC(=O)[C@@H]1CCC[C@@H]1OCCOC 7a_200015395474_100000233755 [0,1,0,1,0,0|1,0,0]=3 21745 B15R1.9209 CCOC(=O)[C@@H]1CCC[C@@H]1OCCSC 7a_200015395474_100000212216 [0,1,0,1,0,0|1,0,0]=3 21746 B15R1.9209 CCOC(=O)[C@@H]1CSCN1CCCCF 269982a_100016989239_100000729493 [0,1,0,1,0,0|2,0,0]=4 21747 B15R1.9209 CCOC(=O)[C@@H]1CSCN1CCCCO 269982a_100016989239_100000210776 [0,1,0,1,0,0|2,0,0]=4 21748 B15R1.9209 CCOC(=O)[C@@H]1CSCN1CCCOC 269982a_100016989239_100000740836 [0,1,0,1,0,0|2,0,0]=4 21749 B15R1.9209 CCOC(=O)[C@@H]1CSCN1CCSCC 269982a_100016989239_100000757381 [0,1,0,1,0,0|2,0,0]=4 21750 B15R1.9209 CCOCCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100011215890 [0,1,0,1,0,0|1,0,0]=3 21751 B15R1.9209 CCOCCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100011215890 [0,1,0,1,0,0|1,0,0]=3 21752 B15R1.9209 CCOCCN1CSC[C@H]1C(=O)OCC 269982a_100016989239_100011215890 [0,1,0,1,0,0|2,0,0]=4 21753 B15R1.9497 CCCCCCN1CCNC(=O)C1CC 2230a_100000187962_100000210314 [0,1,0,1,0,0|2,0,0]=4 21754 B15R1.9497 CCCCCCN1CCNC(=O)C1CC 269982a_100000187962_100000210757 [0,1,0,1,0,0|2,0,0]=4 21755 B15R1.9497 CCCCCCN1CCNC(=O)C1CC 34a_100000187962_100000210314 [0,1,0,1,0,0|2,0,0]=4 21756 B15R1.10442 CCOC(=O)CCCCC=NNC1CC1 4a_100000701032_100012182868 [0,1,0,1,0,0|1,0,1]=4 21757 B15R1.10442 CCOC(=O)CCCCCCNC1CC1 34a_100000212008_100009814379 [0,1,0,1,0,0|0,0,0]=2 21758 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 2230a_100000735609_100000755133 [0,1,0,1,0,0|0,0,0]=2 21759 B15R1.10442 CCOC(=O)CCCCCNCC1CC1 34a_100000735609_100000755133 [0,1,0,1,0,0|0,0,0]=2 21760 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 34a_100000211283_100000755133 [0,1,0,1,0,0|0,0,0]=2 21761 B15R1.10442 CCOC(=O)CCCCCOCC1CC1 7a_100011214988_100000742324 [0,1,0,1,0,0|0,0,0]=2 21762 B15R1.10442 CCOC(=O)CCCCCOCC1CO1 7a_100011214988_102125554688 [0,1,0,1,0,0|1,0,0]=3 21763 B15R1.10442 CCOC(=O)CCCCCOCC1CS1 7a_100011214988_100000031435 [0,1,0,1,0,0|1,0,0]=3 21764 B15R1.10442 CCOC(=O)CCCCCOC[C@@H]1CO1 34a_100000757423_100000755133 [0,1,0,1,0,0|1,0,0]=3 21765 B15R1.10442 CCOC(=O)CCCCCOC[C@@H]1CO1 7a_100011214988_100000745022 [0,1,0,1,0,0|1,0,0]=3 21766 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000755133_100000742324 [0,1,0,1,0,0|0,0,0]=2 21767 B15R1.10442 CCOC(=O)CCCCCSCC1CC1 62a_100000756562_100000755133 [0,1,0,1,0,0|0,0,0]=2 21768 B15R1.10442 CCOC(=O)CCCCCSCC1CO1 62a_100000755133_102125554688 [0,1,0,1,0,0|1,0,0]=3 21769 B15R1.10442 CCOC(=O)CCCCCSCC1CO1 62a_102125554688_100000755133 [0,1,0,1,0,0|1,0,0]=3 21770 B15R1.10442 CCOC(=O)CCCCCSCC1CS1 62a_100000031435_100000755133 [0,1,0,1,0,0|1,0,0]=3 21771 B15R1.10442 CCOC(=O)CCCCCSCC1CS1 62a_100000755133_100000031435 [0,1,0,1,0,0|1,0,0]=3 21772 B15R1.10442 CCOC(=O)CCCCCSC[C@@H]1CO1 62a_100000745022_100000755133 [0,1,0,1,0,0|1,0,0]=3 21773 B15R1.10442 CCOC(=O)CCCCCSC[C@@H]1CO1 62a_100000755133_100000745022 [0,1,0,1,0,0|1,0,0]=3 21774 B15R1.10442 CCOC(=O)CCCCNCCC1CC1 34a_100000764129_100000750268 [0,1,0,1,0,0|0,0,0]=2 21775 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 34a_100000754188_100000750268 [0,1,0,1,0,0|0,0,0]=2 21776 B15R1.10442 CCOC(=O)CCCCOCCC1CC1 7a_100000754188_100000750268 [0,1,0,1,0,0|0,0,0]=2 21777 B15R1.10442 CCOC(=O)CCCCOCC[C@@H]1CO1 34a_100009820653_100000750268 [0,1,0,1,0,0|1,0,0]=3 21778 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000750268_100000764125 [0,1,0,1,0,0|0,0,0]=2 21779 B15R1.10442 CCOC(=O)CCCCSCCC1CC1 62a_100000764125_100000750268 [0,1,0,1,0,0|0,0,0]=2 21780 B15R1.10442 CCOC(=O)CCCCSCCC1CO1 62a_100000732470_100000750268 [0,1,0,1,0,0|1,0,0]=3 21781 B15R1.10442 CCOC(=O)CCCCSCCC1CO1 62a_100000750268_100000732470 [0,1,0,1,0,0|1,0,0]=3 21782 B15R1.10442 CCOC(=O)CCCOCC#CC1CC1 34a_100000083941_100009991533 [0,1,0,1,0,0|0,0,2]=4 21783 B15R1.10442 CCOC(=O)CCCOCC#CC1CC1 7a_100000083941_100011215271 [0,1,0,1,0,0|0,0,2]=4 21784 B15R1.10442 CCOC(=O)CCCOCC#CC1CC1 7a_100012001163_100009895102 [0,1,0,1,0,0|0,0,2]=4 21785 B15R1.10442 CCOC(=O)CCCOCCCC1CO1 7a_100012001163_100000733510 [0,1,0,1,0,0|1,0,0]=3 21786 B15R1.10442 CCOC(=O)CCCOCCNC1CC1 34a_100000738766_100009991533 [0,1,0,1,0,0|1,0,0]=3 21787 B15R1.10442 CCOC(=O)CCCSCC#CC1CC1 62a_100009895102_100009991533 [0,1,0,1,0,0|0,0,2]=4 21788 B15R1.10442 CCOC(=O)CCCSCC#CC1CC1 62a_100009991533_100009895102 [0,1,0,1,0,0|0,0,2]=4 21789 B15R1.10442 CCOC(=O)CCCSCCCC1CO1 62a_100000733510_100009991533 [0,1,0,1,0,0|1,0,0]=3 21790 B15R1.10442 CCOC(=O)CCCSCCCC1CO1 62a_100009991533_100000733510 [0,1,0,1,0,0|1,0,0]=3 21791 B15R1.10442 CCOC(=O)COCCCNCC1CC1 2230a_100000735609_100009893628 [0,1,0,1,0,0|1,0,0]=3 21792 B15R1.10442 CCOC(=O)COCCCNCC1CC1 34a_100000735609_100009893628 [0,1,0,1,0,0|1,0,0]=3 21793 B15R1.10442 CCOC(=O)COCCCOCC1CC1 34a_100000211283_100009893628 [0,1,0,1,0,0|1,0,0]=3 21794 B15R1.10442 CCOC(=O)COCCCOC[C@@H]1CO1 34a_100000757423_100009893628 [0,1,0,1,0,0|2,0,0]=4 21795 B15R1.10442 CCOC(=O)COCCCSCC1CC1 62a_100000756562_100009893628 [0,1,0,1,0,0|1,0,0]=3 21796 B15R1.10442 CCOC(=O)COCCCSCC1CC1 62a_100009893628_100000742324 [0,1,0,1,0,0|1,0,0]=3 21797 B15R1.10442 CCOC(=O)COCCCSCC1CO1 62a_100009893628_102125554688 [0,1,0,1,0,0|2,0,0]=4 21798 B15R1.10442 CCOC(=O)COCCCSCC1CO1 62a_102125554688_100009893628 [0,1,0,1,0,0|2,0,0]=4 21799 B15R1.10442 CCOC(=O)COCCCSCC1CS1 62a_100000031435_100009893628 [0,1,0,1,0,0|2,0,0]=4 21800 B15R1.10442 CCOC(=O)COCCCSCC1CS1 62a_100009893628_100000031435 [0,1,0,1,0,0|2,0,0]=4 21801 B15R1.10442 CCOC(=O)COCCCSC[C@@H]1CO1 62a_100000745022_100009893628 [0,1,0,1,0,0|2,0,0]=4 21802 B15R1.10442 CCOC(=O)COCCCSC[C@@H]1CO1 62a_100009893628_100000745022 [0,1,0,1,0,0|2,0,0]=4 21803 B15R1.10442 CCOC(=O)COCCNCCC1CC1 34a_100000764129_100000088970 [0,1,0,1,0,0|1,0,0]=3 21804 B15R1.10442 CCOC(=O)COCCOCCC1CC1 34a_100000754188_100000088970 [0,1,0,1,0,0|1,0,0]=3 21805 B15R1.10442 CCOC(=O)COCCOCCC1CC1 7a_100000754188_100000088970 [0,1,0,1,0,0|1,0,0]=3 21806 B15R1.10442 CCOC(=O)COCCOCC[C@@H]1CO1 34a_100009820653_100000088970 [0,1,0,1,0,0|2,0,0]=4 21807 B15R1.10442 CCOC(=O)COCCSCCC1CC1 62a_100000088970_100000764125 [0,1,0,1,0,0|1,0,0]=3 21808 B15R1.10442 CCOC(=O)COCCSCCC1CC1 62a_100000764125_100000088970 [0,1,0,1,0,0|1,0,0]=3 21809 B15R1.10442 CCOC(=O)COCCSCCC1CO1 62a_100000088970_100000732470 [0,1,0,1,0,0|2,0,0]=4 21810 B15R1.10442 CCOC(=O)COCCSCCC1CO1 62a_100000732470_100000088970 [0,1,0,1,0,0|2,0,0]=4 21811 B15R1.10442 CCOC(=O)CSCCOCCC1CC1 7a_200000230590_100000764125 [0,1,0,1,0,0|1,0,0]=3 21812 B15R1.10442 CCOC(=O)CSCCOCCC1CO1 7a_200000230590_100000732470 [0,1,0,1,0,0|2,0,0]=4 21813 B15R1.10442 CCOC(=O)NCCOCCCC1CO1 34a_100000158857_100000733510 [0,1,0,1,0,0|2,0,0]=4 21814 B15R1.10442 CCOC(=O)NCCSCCCC1CO1 62a_100000733510_200011445536 [0,1,0,1,0,0|2,0,0]=4 21815 B15R1.12171 C=CCCCCCCCCC(=O)C1CC1 1458a_100000210395_100011933949 [0,1,0,1,0,0|1,0,1]=4 21816 B15R1.12171 CCC#CCCCCCCC(=O)C1CC1 1458a_100000210395_200000036426 [0,1,0,1,0,0|1,0,1]=4 21817 B15R1.12171 CCCCCCCCCCC(=O)C1CC1 1458a_100000210395_100000210319 [0,1,0,1,0,0|1,0,0]=3 21818 B15R1.12171 CCCCCCCCCCC(=O)C1CO1 1458a_100000701028_100000210319 [0,1,0,1,0,0|2,0,0]=4 21819 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 11a_100000212291_100000210395 [0,1,0,1,0,0|1,0,0]=3 21820 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 1626a_100000212291_100000210395 [0,1,0,1,0,0|1,0,0]=3 21821 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 240690a_100000212291_100000210395 [0,1,0,1,0,0|1,0,0]=3 21822 B15R1.12171 CCCCCCCCCNC(=O)C1CC1 527a_100000212291_100000210395 [0,1,0,1,0,0|1,0,0]=3 21823 B15R1.12171 CCCCCCCCCNC(=O)C1CO1 11a_100000212291_100000701028 [0,1,0,1,0,0|2,0,0]=4 21824 B15R1.12171 CCCCCCCCCNC(=O)C1CO1 1626a_100000212291_100000701028 [0,1,0,1,0,0|2,0,0]=4 21825 B15R1.12171 CCCCCCCCCNC(=O)C1CO1 240690a_100000212291_100000701028 [0,1,0,1,0,0|2,0,0]=4 21826 B15R1.12171 CCCCCCCCCNC(=O)C1CO1 527a_100000212291_100000701028 [0,1,0,1,0,0|2,0,0]=4 21827 B15R1.12171 CCCCCCCCNCC(=O)C1CC1 2230a_100000229939_100000746382 [0,1,0,1,0,0|1,0,0]=3 21828 B15R1.12171 CCCCCCCCNCC(=O)C1CC1 34a_100000229939_100000746382 [0,1,0,1,0,0|1,0,0]=3 21829 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 34a_100000210232_100000746382 [0,1,0,1,0,0|1,0,0]=3 21830 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 34a_100000686663_100000210759 [0,1,0,1,0,0|1,0,0]=3 21831 B15R1.12171 CCCCCCCCOCC(=O)C1CC1 7a_100000210232_100000746382 [0,1,0,1,0,0|1,0,0]=3 21832 B15R1.12171 CCCCCCCCSCC(=O)C1CC1 62a_100000210759_100000746382 [0,1,0,1,0,0|1,0,0]=3 21833 B15R1.12171 CCCCCCCCSCC(=O)C1CC1 62a_100000746382_100000210317 [0,1,0,1,0,0|1,0,0]=3 21834 B15R1.12171 CCCCCCCNCOC(=O)C1CC1 2230a_100000229938_100000140896 [0,1,0,1,0,0|2,0,0]=4 21835 B15R1.12171 CCCCCCCOCOC(=O)C1CC1 34a_100000210272_100000140896 [0,1,0,1,0,0|2,0,0]=4 21836 B15R1.12171 CCCCCCCSCOC(=O)C1CC1 62a_100000140896_100000210316 [0,1,0,1,0,0|2,0,0]=4 21837 B15R1.12171 CCCCCCCSCOC(=O)C1CC1 62a_100000210614_100000140896 [0,1,0,1,0,0|2,0,0]=4 21838 B15R1.12171 CCCCCNCCOCC(=O)C1CC1 34a_100000224656_100000746382 [0,1,0,1,0,0|2,0,0]=4 21839 B15R1.12171 CCCCCOCCOCC(=O)C1CC1 34a_100011215259_100000746382 [0,1,0,1,0,0|2,0,0]=4 21840 B15R1.12171 CCCCCOCCOCC(=O)C1CC1 7a_100011215259_100000746382 [0,1,0,1,0,0|2,0,0]=4 21841 B15R1.12171 CCCCOCCCNCC(=O)C1CC1 2230a_200000211371_100000746382 [0,1,0,1,0,0|2,0,0]=4 21842 B15R1.12171 CCCCOCCCNCC(=O)C1CC1 34a_200000211371_100000746382 [0,1,0,1,0,0|2,0,0]=4 21843 B15R1.12171 CCCCOCCCOCC(=O)C1CC1 34a_200011215613_100000746382 [0,1,0,1,0,0|2,0,0]=4 21844 B15R1.12171 CCCCOCCCOCC(=O)C1CC1 7a_200011215613_100000746382 [0,1,0,1,0,0|2,0,0]=4 21845 B15R1.12171 COCCCCCCOCC(=O)C1CC1 34a_100000686663_100011998445 [0,1,0,1,0,0|2,0,0]=4 21846 B15R1.12171 COCCCCCCOCC(=O)C1CC1 34a_200012092642_100000746382 [0,1,0,1,0,0|2,0,0]=4 21847 B15R1.12171 COCCCCCCOCC(=O)C1CC1 7a_200012092642_100000746382 [0,1,0,1,0,0|2,0,0]=4 21848 B15R1.12171 COCCCCCCSCC(=O)C1CC1 62a_100000746382_100011998445 [0,1,0,1,0,0|2,0,0]=4 21849 B15R1.12171 COCCCCCCSCC(=O)C1CC1 62a_100011998445_100000746382 [0,1,0,1,0,0|2,0,0]=4 21850 B15R1.12171 NCCCCCCCOCC(=O)C1CC1 34a_100011996573_100000746382 [0,1,0,1,0,0|2,0,0]=4 21851 B15R1.12171 O=C(CCCCCCCCCO)C1CC1 1458a_100000210395_100009813782 [0,1,0,1,0,0|1,0,0]=3 21852 B15R1.12171 O=C(CCCCCCCCCO)C1CO1 1458a_100000701028_100009813782 [0,1,0,1,0,0|2,0,0]=4 21853 B15R1.12171 O=C(CNCCCCCCCO)C1CC1 2230a_100011996573_100000746382 [0,1,0,1,0,0|2,0,0]=4 21854 B15R1.12171 O=C(CNCCCCCCCO)C1CC1 34a_100011996573_100000746382 [0,1,0,1,0,0|2,0,0]=4 21855 B15R1.12171 O=C(COCCCCCCCBr)C1CC1 34a_100000760002_100000746382 [0,1,0,1,0,0|2,0,0]=4 21856 B15R1.12171 O=C(COCCCCCCCBr)C1CC1 7a_100000760002_100000746382 [0,1,0,1,0,0|2,0,0]=4 21857 B15R1.12171 O=C(COCCCCCCCO)C1CC1 34a_100000686663_100000760002 [0,1,0,1,0,0|2,0,0]=4 21858 B15R1.12171 O=C(CSCCCCCCCO)C1CC1 62a_100000746382_100000760002 [0,1,0,1,0,0|2,0,0]=4 21859 B15R1.12171 O=C(CSCCCCCCCO)C1CC1 62a_100000760002_100000746382 [0,1,0,1,0,0|2,0,0]=4 21860 B15R1.12171 O=C(NCCCCCCCCO)C1CC1 240690a_102515433106_100000210395 [0,1,0,1,0,0|2,0,0]=4 21861 B15R1.119 CC(C)CCCCCN1CCNC(=O)C1 2230a_100000184651_100000210682 [0,1,0,1,0,0|2,0,0]=4 21862 B15R1.119 CC(C)CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210682 [0,1,0,1,0,0|1,0,0]=3 21863 B15R1.119 CC(C)CCCCNC1CCNC(=O)C1 2230a_100016994916_100011216152 [0,1,0,1,0,0|2,0,0]=4 21864 B15R1.119 CC(C)CCCCNC1CCNC(=O)C1 34a_100016994916_100011216152 [0,1,0,1,0,0|2,0,0]=4 21865 B15R1.119 CC(C)CCCCOC1CCCC(=O)C1 34a_100012613340_100011216152 [0,1,0,1,0,0|2,0,0]=4 21866 B15R1.119 CC(C)CCCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011216152 [0,1,0,1,0,0|2,0,0]=4 21867 B15R1.119 CC(C)CCCOCC1CCNC(=O)C1 34a_100009886756_100011214892 [0,1,0,1,0,0|2,0,0]=4 21868 B15R1.119 CC(O)CCCOCC1CCNC(=O)C1 34a_100009886756_200000718107 [0,1,0,1,0,0|2,0,0]=4 21869 B15R1.255 CC(C)CCCCCNC1CCCC1=O 2230a_100011290863_100000211823 [0,1,0,1,0,0|2,0,0]=4 21870 B15R1.255 CC(C)CCCCCNC1CCCC1=O 34a_100011290863_100000709159 [0,1,0,1,0,0|2,0,0]=4 21871 B15R1.255 CC(C)CCCCCNC1CCNC1=O 2230a_100016995588_100000210682 [0,1,0,1,0,0|2,0,0]=4 21872 B15R1.255 CC(C)CCCCCNC1CCNC1=O 34a_100016995588_100000210682 [0,1,0,1,0,0|2,0,0]=4 21873 B15R1.255 CC(C)CCCCCNC1CCOC1=O 2230a_100011290863_100000211211 [0,1,0,1,0,0|1,0,0]=3 21874 B15R1.255 CC(C)CCCCCNC1CCOC1=O 34a_100011290863_100000211211 [0,1,0,1,0,0|1,0,0]=3 21875 B15R1.255 CC(C)CCCCCOC1CCCC1=O 34a_100011995859_100000709159 [0,1,0,1,0,0|2,0,0]=4 21876 B15R1.255 CC(C)CCCCCOC1CCCC1=O 34a_200000719330_100000210682 [0,1,0,1,0,0|2,0,0]=4 21877 B15R1.255 CC(C)CCCCCOC1CCCC1=O 7a_100011995859_100000211823 [0,1,0,1,0,0|2,0,0]=4 21878 B15R1.255 CC(C)CCCCCOC1CCOC1=O 34a_100011995859_100000211211 [0,1,0,1,0,0|1,0,0]=3 21879 B15R1.255 CC(C)CCCCCOC1CCOC1=O 7a_100011995859_100000211211 [0,1,0,1,0,0|1,0,0]=3 21880 B15R1.255 CC(C)CCCCCO[C@H]1CCNC1=O 34a_100000688343_100000210682 [0,1,0,1,0,0|2,0,0]=4 21881 B15R1.255 CC(C)CCCCCSC1CCCC1=O 62a_100000210682_100000211823 [0,1,0,1,0,0|2,0,0]=4 21882 B15R1.255 CC(C)CCCCCSC1CCCC1=O 62a_100000211823_100000210682 [0,1,0,1,0,0|2,0,0]=4 21883 B15R1.255 CC(C)CCCCCSC1CCOC1=O 62a_100000210682_100000211211 [0,1,0,1,0,0|1,0,0]=3 21884 B15R1.255 CC(C)CCCCCSC1CCOC1=O 62a_100000211211_100000210682 [0,1,0,1,0,0|1,0,0]=3 21885 B15R1.255 CC(C)CCCCOCC1CCNC1=O 34a_100000133458_100011216152 [0,1,0,1,0,0|2,0,0]=4 21886 B15R1.255 CC(C)COCCCNC1CCOC1=O 2230a_100000205972_100000211211 [0,1,0,1,0,0|2,0,0]=4 21887 B15R1.255 CC(C)COCCCNC1CCOC1=O 34a_100000205972_100000211211 [0,1,0,1,0,0|2,0,0]=4 21888 B15R1.255 CC(C)NCCCCOC1CCOC1=O 34a_100011521146_100000211211 [0,1,0,1,0,0|2,0,0]=4 21889 B15R1.810 C=C(C)CN1CCCCC1C(=O)OCC 2230a_100016990872_100000748629 [0,1,0,1,0,0|1,0,1]=4 21890 B15R1.810 C=C(C)CN1CCCCC1C(=O)OCC 269982a_100016990872_100000748629 [0,1,0,1,0,0|1,0,1]=4 21891 B15R1.810 CCOC(=O)C1CCCCC1OC(C)C 7a_100000038711_100000210206 [0,1,0,1,0,0|1,0,0]=3 21892 B15R1.810 CCOC(=O)C1CCCCN1CC(C)C 2230a_100016990872_100000210760 [0,1,0,1,0,0|1,0,0]=3 21893 B15R1.810 CCOC(=O)C1CCCCN1CC(C)C 269982a_100016990872_100000210624 [0,1,0,1,0,0|1,0,0]=3 21894 B15R1.810 CCOC(=O)C1CCCCN1CC(C)C 270004a_100016990872_100000210432 [0,1,0,1,0,0|1,0,0]=3 21895 B15R1.810 CCOC(=O)C1CCCCN1CC(C)O 2230a_100016990872_100011218427 [0,1,0,1,0,0|1,0,0]=3 21896 B15R1.810 CCOC(=O)C1CCCCN1CC(C)O 269982a_100016990872_100011218427 [0,1,0,1,0,0|1,0,0]=3 21897 B15R1.810 CCOC(=O)C1CCCCN1CC(F)F 2230a_100016990872_100011934356 [0,1,0,1,0,0|2,0,0]=4 21898 B15R1.810 CCOC(=O)C1CCCCN1CC(F)F 269982a_100016990872_100011934356 [0,1,0,1,0,0|2,0,0]=4 21899 B15R1.810 CCOC(=O)C1CCCCN1C[C@@H](C)O 2230a_100016990872_100009817552 [0,1,0,1,0,0|1,0,0]=3 21900 B15R1.810 CCOC(=O)C1CCCCN1C[C@@H](C)O 269982a_100016990872_100009817552 [0,1,0,1,0,0|1,0,0]=3 21901 B15R1.810 CCOC(=O)C1CSCCN1CC(C)C 2230a_100000735462_100000210760 [0,1,0,1,0,0|2,0,0]=4 21902 B15R1.810 CCOC(=O)C1CSCCN1CC(C)C 269982a_100000735462_100000210624 [0,1,0,1,0,0|2,0,0]=4 21903 B15R1.810 CCOC(=O)C1CSCCN1CC(C)C 270004a_100000735462_100000210432 [0,1,0,1,0,0|2,0,0]=4 21904 B15R1.810 CCOC(=O)C1CSCCN1CC(C)O 2230a_100000735462_100011218427 [0,1,0,1,0,0|2,0,0]=4 21905 B15R1.810 CCOC(=O)C1CSCCN1CC(C)O 269982a_100000735462_100011218427 [0,1,0,1,0,0|2,0,0]=4 21906 B15R1.810 CCOC(=O)C1CSCCN1C[C@@H](C)O 2230a_100000735462_100009817552 [0,1,0,1,0,0|2,0,0]=4 21907 B15R1.810 CCOC(=O)C1CSCCN1C[C@@H](C)O 269982a_100000735462_100009817552 [0,1,0,1,0,0|2,0,0]=4 21908 B15R1.810 CCOC(=O)[C@@H]1COCCN1CC(C)C 2230a_100015229691_100000210760 [0,1,0,1,0,0|2,0,0]=4 21909 B15R1.810 CCOC(=O)[C@@H]1COCCN1CC(C)C 269982a_100015229691_100000210624 [0,1,0,1,0,0|2,0,0]=4 21910 B15R1.810 CCOC(=O)[C@@H]1COCCN1CC(C)C 270004a_100015229691_100000210432 [0,1,0,1,0,0|2,0,0]=4 21911 B15R1.810 CCOC(=O)[C@@H]1COCCN1CC(C)O 2230a_100015229691_100011218427 [0,1,0,1,0,0|2,0,0]=4 21912 B15R1.810 CCOC(=O)[C@@H]1COCCN1CC(C)O 269982a_100015229691_100011218427 [0,1,0,1,0,0|2,0,0]=4 21913 B15R1.810 CCOC(=O)[C@@H]1COCCN1C[C@@H](C)O 2230a_100015229691_100009817552 [0,1,0,1,0,0|2,0,0]=4 21914 B15R1.810 CCOC(=O)[C@@H]1COCCN1C[C@@H](C)O 269982a_100015229691_100009817552 [0,1,0,1,0,0|2,0,0]=4 21915 B15R1.820 C=C(C)CCN1CCC[C@H]1C(=O)OCC 2230a_100000703725_100000730704 [0,1,0,1,0,0|1,0,1]=4 21916 B15R1.820 C=C(C)CCN1CCC[C@H]1C(=O)OCC 269982a_100000703725_100000730704 [0,1,0,1,0,0|1,0,1]=4 21917 B15R1.820 C=C(C)CO[C@H]1CCC[C@H]1C(=O)OCC 7a_200015395474_100000748629 [0,1,0,1,0,0|1,0,1]=4 21918 B15R1.820 CCNC(=O)[C@@H]1CCCN1CCC(C)C 2230a_100020641767_100000210312 [0,1,0,1,0,0|2,0,0]=4 21919 B15R1.820 CCNC(=O)[C@@H]1CCCN1CCC(C)C 269982a_100020641767_100000210312 [0,1,0,1,0,0|2,0,0]=4 21920 B15R1.820 CCNC(=O)[C@@H]1CCCN1CCC(C)C 34a_100020641767_100000210312 [0,1,0,1,0,0|2,0,0]=4 21921 B15R1.820 CCNC(=O)[C@@H]1CCCN1CCC(C)O 2230a_100020641767_100012276601 [0,1,0,1,0,0|2,0,0]=4 21922 B15R1.820 CCNC(=O)[C@@H]1CCCN1CCC(C)O 269982a_100020641767_100012276601 [0,1,0,1,0,0|2,0,0]=4 21923 B15R1.820 CCNC(=O)[C@@H]1CCCN1CCC(C)O 34a_100020641767_100012276601 [0,1,0,1,0,0|2,0,0]=4 21924 B15R1.820 CCOC(=O)[C@@H]1CCCN1CCC(=O)C 269982a_100000703725_100000053229 [0,1,0,1,0,0|1,0,1]=4 21925 B15R1.820 CCOC(=O)[C@@H]1CCCN1CCC(C)C 2230a_100000703725_100000210312 [0,1,0,1,0,0|1,0,0]=3 21926 B15R1.820 CCOC(=O)[C@@H]1CCCN1CCC(C)C 269982a_100000703725_100000210312 [0,1,0,1,0,0|1,0,0]=3 21927 B15R1.820 CCOC(=O)[C@@H]1CCCN1CCC(C)O 2230a_100000703725_100012276601 [0,1,0,1,0,0|1,0,0]=3 21928 B15R1.820 CCOC(=O)[C@@H]1CCCN1CCC(C)O 269982a_100000703725_100012276601 [0,1,0,1,0,0|1,0,0]=3 21929 B15R1.820 CCOC(=O)[C@@H]1CCCN1CCN(C)C 269982a_100000703725_100000755713 [0,1,0,1,0,0|2,0,0]=4 21930 B15R1.820 CCOC(=O)[C@@H]1CCCN1COC(C)C 2230a_100000703725_100000709892 [0,1,0,1,0,0|2,0,0]=4 21931 B15R1.820 CCOC(=O)[C@@H]1CCCN1COC(C)C 269982a_100000703725_100000709892 [0,1,0,1,0,0|2,0,0]=4 21932 B15R1.820 CCOC(=O)[C@@H]1CCC[C@@H]1OCC(C)C 7a_200015395474_100000210760 [0,1,0,1,0,0|1,0,0]=3 21933 B15R1.820 CCOC(=O)[C@@H]1CCC[C@@H]1OCC(C)O 7a_200015395474_100011218427 [0,1,0,1,0,0|1,0,0]=3 21934 B15R1.820 CCOC(=O)[C@@H]1CCC[C@@H]1OCC(F)F 7a_200015395474_100011934356 [0,1,0,1,0,0|2,0,0]=4 21935 B15R1.820 CCOC(=O)[C@@H]1CCC[C@@H]1OC[C@@H](C)O 7a_200015395474_100009817552 [0,1,0,1,0,0|1,0,0]=3 21936 B15R1.820 CCOC(=O)[C@@H]1CSCN1CCC(C)C 269982a_100016989239_100000210312 [0,1,0,1,0,0|2,0,0]=4 21937 B15R1.820 CCOC(=O)[C@@H]1CSCN1CCC(C)O 269982a_100016989239_100012276601 [0,1,0,1,0,0|2,0,0]=4 21938 B15R1.1274 CCCC(=O)CN1CCCCC1C(C)C 2230a_100000757267_100000747444 [0,1,0,1,0,0|2,0,0]=4 21939 B15R1.1274 CCCC(=O)CN1CCCCC1C(C)C 269982a_100000757267_100000747444 [0,1,0,1,0,0|2,0,0]=4 21940 B15R1.1274 CCNC(=O)CN1CCCCC1C(C)C 2230a_100000757267_100000183381 [0,1,0,1,0,0|2,0,0]=4 21941 B15R1.1274 CCNC(=O)CN1CCCCC1C(C)C 269982a_100000757267_100000183381 [0,1,0,1,0,0|2,0,0]=4 21942 B15R1.1274 CCNC(=O)CN1CCCCC1C(C)C 34a_100000757267_100000183381 [0,1,0,1,0,0|2,0,0]=4 21943 B15R1.1274 CCOC(=O)CC1CCCCN1C(=O)C 11a_100116209990_100015343762 [0,1,0,1,0,0|1,0,1]=4 21944 B15R1.1274 CCOC(=O)CC1CCCCN1C(=O)C 1626a_100116209990_100015343762 [0,1,0,1,0,0|1,0,1]=4 21945 B15R1.1274 CCOC(=O)CC1CCCCN1C(=O)C 240690a_100116209990_100015343762 [0,1,0,1,0,0|1,0,1]=4 21946 B15R1.1274 CCOC(=O)CC1CCCCN1C(=O)C 527a_100116209990_100103153847 [0,1,0,1,0,0|1,0,1]=4 21947 B15R1.1274 CCOC(=O)CC1CCCCN1C(C)C 2230a_100116209990_100000210206 [0,1,0,1,0,0|1,0,0]=3 21948 B15R1.1274 CCOC(=O)CC1CCCCN1C(C)C 269982a_100116209990_100000210206 [0,1,0,1,0,0|1,0,0]=3 21949 B15R1.1274 CCOC(=O)CN1CCCCC1C(C)C 2230a_100000757267_100000188475 [0,1,0,1,0,0|1,0,0]=3 21950 B15R1.1274 CCOC(=O)CN1CCCCC1C(C)C 269982a_100000757267_100000188475 [0,1,0,1,0,0|1,0,0]=3 21951 B15R1.1274 CCOC(=O)CN1CCCCC1C(C)C 34a_100000757267_100000188475 [0,1,0,1,0,0|1,0,0]=3 21952 B15R1.1274 CCOC(=O)CN1CCOC[C@@H]1C(C)C 2230a_100025712635_100000188475 [0,1,0,1,0,0|2,0,0]=4 21953 B15R1.1274 CCOC(=O)CN1CCOC[C@@H]1C(C)C 269982a_100025712635_100000188475 [0,1,0,1,0,0|2,0,0]=4 21954 B15R1.1274 CCOC(=O)CN1CCOC[C@@H]1C(C)C 34a_100025712635_100000188475 [0,1,0,1,0,0|2,0,0]=4 21955 B15R1.1280 CCCC(=O)CN1CCCC1CC(C)C 2230a_100000748429_100000747444 [0,1,0,1,0,0|2,0,0]=4 21956 B15R1.1280 CCCC(=O)CN1CCCC1CC(C)C 269982a_100000748429_100000747444 [0,1,0,1,0,0|2,0,0]=4 21957 B15R1.1280 CCNC(=O)CN1CCCC1CC(C)C 2230a_100000748429_100000183381 [0,1,0,1,0,0|2,0,0]=4 21958 B15R1.1280 CCNC(=O)CN1CCCC1CC(C)C 269982a_100000748429_100000183381 [0,1,0,1,0,0|2,0,0]=4 21959 B15R1.1280 CCNC(=O)CN1CCCC1CC(C)C 34a_100000748429_100000183381 [0,1,0,1,0,0|2,0,0]=4 21960 B15R1.1280 CCOC(=O)CN1CCCC1CC(C)C 2230a_100000748429_100000188475 [0,1,0,1,0,0|1,0,0]=3 21961 B15R1.1280 CCOC(=O)CN1CCCC1CC(C)C 269982a_100000748429_100000188475 [0,1,0,1,0,0|1,0,0]=3 21962 B15R1.1280 CCOC(=O)CN1CCCC1CC(C)C 34a_100000748429_100000188475 [0,1,0,1,0,0|1,0,0]=3 21963 B15R1.1280 CCOC(=O)CN1CCC[C@@H]1CN(C)C 269982a_200020645772_100000188475 [0,1,0,1,0,0|2,0,0]=4 21964 B15R1.3866 CCOC(=O)CCN1CCOCC1(C)C 2230a_100000724681_100011206558 [0,1,0,1,0,0|2,0,0]=4 21965 B15R1.3866 CCOC(=O)CCN1CCOCC1(C)C 269982a_100000724681_100011206558 [0,1,0,1,0,0|2,0,0]=4 21966 B15R1.3866 CCOC(=O)CCN1CCOCC1(C)C 34a_100000724681_100000765890 [0,1,0,1,0,0|2,0,0]=4 21967 B15R1.3866 CCOC(=O)CNC1CCCCC1(F)F 2230a_100000686509_100000188475 [0,1,0,1,0,0|2,0,0]=4 21968 B15R1.3866 CCOC(=O)CNC1CCCCC1(F)F 34a_100000686509_100000188475 [0,1,0,1,0,0|2,0,0]=4 21969 B15R1.3866 CCOC(=O)COC1CCNCC1(C)C 34a_100000709803_100000188475 [0,1,0,1,0,0|2,0,0]=4 21970 B15R1.3866 CCOC(=O)CSC1CCCCC1(F)F 62a_100000188475_200009832135 [0,1,0,1,0,0|2,0,0]=4 21971 B15R1.3866 CCOC(=O)CSC1CCCCC1(F)F 62a_200009832135_100000188475 [0,1,0,1,0,0|2,0,0]=4 21972 B15R1.3867 CCNC(=O)CCN1CCCC1C(C)C 2230a_100000762757_100000737597 [0,1,0,1,0,0|2,0,0]=4 21973 B15R1.3867 CCNC(=O)CCN1CCCC1C(C)C 269982a_100000762757_100000737597 [0,1,0,1,0,0|2,0,0]=4 21974 B15R1.3867 CCOC(=O)CCN1CCCC1C(C)C 2230a_100000762757_100011206558 [0,1,0,1,0,0|1,0,0]=3 21975 B15R1.3867 CCOC(=O)CCN1CCCC1C(C)C 269982a_100000762757_100011206558 [0,1,0,1,0,0|1,0,0]=3 21976 B15R1.3867 CCOC(=O)CCN1CCCC1C(C)C 34a_100000762757_100000765890 [0,1,0,1,0,0|1,0,0]=3 21977 B15R1.6612 CC(C)CCCCN1CCNC(=O)CC1 2230a_100000698595_100011216152 [0,1,0,1,0,0|2,0,0]=4 21978 B15R1.6612 CC(C)CCCCN1CCNC(=O)CC1 269982a_100000698595_100011216152 [0,1,0,1,0,0|2,0,0]=4 21979 B15R1.9904 CCNC(=O)CCNC1CCCC1(C)C 269862a_100025743525_100000065263 [0,1,0,1,0,0|2,0,0]=4 21980 B15R1.9904 CCNC(=O)CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000737597 [0,1,0,1,0,0|2,0,0]=4 21981 B15R1.9904 CCNC(=O)CCOC1CCCC1(C)C 7a_100000726220_100000737597 [0,1,0,1,0,0|2,0,0]=4 21982 B15R1.9904 CCOC(=O)CCCN1CCCC1(C)C 2230a_100000761399_100009991533 [0,1,0,1,0,0|1,0,0]=3 21983 B15R1.9904 CCOC(=O)CCCN1CCCC1(C)C 269982a_100000761399_100009991533 [0,1,0,1,0,0|1,0,0]=3 21984 B15R1.9904 CCOC(=O)CCCN1CCCC1(C)C 34a_100000761399_100009991533 [0,1,0,1,0,0|1,0,0]=3 21985 B15R1.9904 CCOC(=O)CCCN1CCSC1(C)C 2230a_100011217261_100009991533 [0,1,0,1,0,0|2,0,0]=4 21986 B15R1.9904 CCOC(=O)CCCN1CCSC1(C)C 269982a_100011217261_100009991533 [0,1,0,1,0,0|2,0,0]=4 21987 B15R1.9904 CCOC(=O)CCCN1CCSC1(C)C 34a_100011217261_100009991533 [0,1,0,1,0,0|2,0,0]=4 21988 B15R1.9904 CCOC(=O)CCCN1COCC1(C)C 2230a_100000043020_100009991533 [0,1,0,1,0,0|2,0,0]=4 21989 B15R1.9904 CCOC(=O)CCCN1COCC1(C)C 269982a_100000043020_100009991533 [0,1,0,1,0,0|2,0,0]=4 21990 B15R1.9904 CCOC(=O)CCNC1CCCC1(F)F 2230a_100000767123_100011206558 [0,1,0,1,0,0|2,0,0]=4 21991 B15R1.9904 CCOC(=O)CCNC1CCCC1(F)F 34a_100000767123_100000765890 [0,1,0,1,0,0|2,0,0]=4 21992 B15R1.9904 CCOC(=O)CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011206558 [0,1,0,1,0,0|1,0,0]=3 21993 B15R1.9904 CCOC(=O)CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000765890 [0,1,0,1,0,0|1,0,0]=3 21994 B15R1.9904 CCOC(=O)CCOC1CCCC1(C)C 34a_100000726220_100000765890 [0,1,0,1,0,0|1,0,0]=3 21995 B15R1.9904 CCOC(=O)CCOC1CCCC1(C)C 7a_100000726220_100011206558 [0,1,0,1,0,0|1,0,0]=3 21996 B15R1.9904 CCOC(=O)CCSC1CCCC1(F)F 62a_100000765890_100119073726 [0,1,0,1,0,0|2,0,0]=4 21997 B15R1.9904 CCOC(=O)CCSC1CCCC1(F)F 62a_100119073726_100000765890 [0,1,0,1,0,0|2,0,0]=4 21998 B15R1.9904 CCOC(=O)NCCN1CCCC1(C)C 269982a_100000761399_200011445536 [0,1,0,1,0,0|2,0,0]=4 21999 B15R1.10426 CCOC(=O)CCCCNC1CC1(F)F 2230a_100020610826_100000750268 [0,1,0,1,0,0|2,0,0]=4 22000 B15R1.10426 CCOC(=O)CCCCNC1CC1(F)F 34a_100020610826_100000750268 [0,1,0,1,0,0|2,0,0]=4 22001 B15R1.10426 CCOC(=O)CCCOCC1CC1(C)C 34a_100000728257_100009991533 [0,1,0,1,0,0|1,0,0]=3 22002 B15R1.10426 CCOC(=O)CCCOCC1CC1(C)C 7a_100000728257_100011215271 [0,1,0,1,0,0|1,0,0]=3 22003 B15R1.10426 CCOC(=O)CCCOCC1CC1(F)F 34a_100000056500_100009991533 [0,1,0,1,0,0|2,0,0]=4 22004 B15R1.10426 CCOC(=O)CCCOCC1CC1(F)F 7a_100000056500_100011215271 [0,1,0,1,0,0|2,0,0]=4 22005 B15R1.10426 CCOC(=O)CCCOCC1CC1(F)F 7a_100012001163_100009817841 [0,1,0,1,0,0|2,0,0]=4 22006 B15R1.10426 CCOC(=O)CCCOCC1OC1(C)C 34a_200010283642_100009991533 [0,1,0,1,0,0|2,0,0]=4 22007 B15R1.10426 CCOC(=O)CCCOCC1OC1(C)C 7a_200010283642_100011215271 [0,1,0,1,0,0|2,0,0]=4 22008 B15R1.10426 CCOC(=O)CCCSCC1CC1(F)F 62a_100009817841_100009991533 [0,1,0,1,0,0|2,0,0]=4 22009 B15R1.10426 CCOC(=O)CCCSCC1CC1(F)F 62a_100009991533_100009817841 [0,1,0,1,0,0|2,0,0]=4 22010 B15R1.10426 CCOC(=O)CCOCCC1CC1(F)F 34a_100009864177_100000765890 [0,1,0,1,0,0|2,0,0]=4 22011 B15R1.10426 CCOC(=O)CCOCCC1CC1(F)F 7a_100009864177_100011206558 [0,1,0,1,0,0|2,0,0]=4 22012 B15R1.10426 CCOC(=O)NCCOCC1CC1(C)C 7a_100000728257_200011445536 [0,1,0,1,0,0|2,0,0]=4 22013 B15R1.10579 CCCC(=O)N1CCCCCC1C(C)C 11a_100000697956_100000211992 [0,1,0,1,0,0|2,0,0]=4 22014 B15R1.10579 CCCC(=O)N1CCCCCC1C(C)C 1626a_100000697956_100000211992 [0,1,0,1,0,0|2,0,0]=4 22015 B15R1.10579 CCCC(=O)N1CCCCCC1C(C)C 240690a_100000697956_100000211992 [0,1,0,1,0,0|2,0,0]=4 22016 B15R1.10579 CCNC(=O)N1CCCCCC1C(C)C 2708a_100015525214_100000697956 [0,1,0,1,0,0|2,0,0]=4 22017 B15R1.10579 CCNC(=O)N1CCCCCC1C(C)C 273464a_100015525214_100000697956 [0,1,0,1,0,0|2,0,0]=4 22018 B15R1.12289 CC(C)CCCCCCNC(=O)C1CC1 11a_100000211014_100000210395 [0,1,0,1,0,0|2,0,0]=4 22019 B15R1.12289 CC(C)CCCCCCNC(=O)C1CC1 1626a_100000211014_100000210395 [0,1,0,1,0,0|2,0,0]=4 22020 B15R1.12289 CC(C)CCCCCCNC(=O)C1CC1 240690a_100000211014_100000210395 [0,1,0,1,0,0|2,0,0]=4 22021 B15R1.12289 CC(C)CCCCCCNC(=O)C1CC1 527a_100000211014_100000210395 [0,1,0,1,0,0|2,0,0]=4 22022 B15R1.12289 CC(C)CCCCCNCC(=O)C1CC1 2230a_100011290863_100000746382 [0,1,0,1,0,0|2,0,0]=4 22023 B15R1.12289 CC(C)CCCCCNCC(=O)C1CC1 34a_100011290863_100000746382 [0,1,0,1,0,0|2,0,0]=4 22024 B15R1.12289 CC(C)CCCCCOCC(=O)C1CC1 34a_100000686663_100000210682 [0,1,0,1,0,0|2,0,0]=4 22025 B15R1.12289 CC(C)CCCCCOCC(=O)C1CC1 34a_100011995859_100000746382 [0,1,0,1,0,0|2,0,0]=4 22026 B15R1.12289 CC(C)CCCCCOCC(=O)C1CC1 7a_100011995859_100000746382 [0,1,0,1,0,0|2,0,0]=4 22027 B15R1.12289 CC(C)CCCCCSCC(=O)C1CC1 62a_100000210682_100000746382 [0,1,0,1,0,0|2,0,0]=4 22028 B15R1.12289 CC(C)CCCCCSCC(=O)C1CC1 62a_100000746382_100000210682 [0,1,0,1,0,0|2,0,0]=4 22029 B15R1.157 C#CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000753159 [0,1,0,1,0,0|1,0,1]=4 22030 B15R1.157 C#CCCC(=O)CCCC1CCCCC1 1458a_100000692101_100011713725 [0,1,0,1,0,0|1,0,1]=4 22031 B15R1.157 C#CCNC(=O)CCCC1CCCCC1 11a_100000212058_100000211478 [0,1,0,1,0,0|1,0,1]=4 22032 B15R1.157 C#CCNC(=O)CCCC1CCCCC1 1626a_100000212058_100000211478 [0,1,0,1,0,0|1,0,1]=4 22033 B15R1.157 C#CCNC(=O)CCCC1CCCCC1 240690a_100000212058_100000211478 [0,1,0,1,0,0|1,0,1]=4 22034 B15R1.157 C#CCNC(=O)CCCC1CCCCC1 527a_100000212058_100000211478 [0,1,0,1,0,0|1,0,1]=4 22035 B15R1.157 C/C=C/CC(=O)CCCC1CCCCC1 1458a_100000211478_100102629194 [0,1,0,1,0,0|1,0,1]=4 22036 B15R1.157 C=C(CNCC1CCCCC1)OCOC 34a_100000210473_100000042856 [0,1,0,1,0,0|2,0,0]=4 22037 B15R1.157 C=C(COCC1CCCCC1)OCOC 34a_100000212181_100000042856 [0,1,0,1,0,0|2,0,0]=4 22038 B15R1.157 C=C(CSCC1CCCCC1)OCOC 62a_100000042856_100000211423 [0,1,0,1,0,0|2,0,0]=4 22039 B15R1.157 C=C(CSCC1CCCCC1)OCOC 62a_100000211423_100000042856 [0,1,0,1,0,0|2,0,0]=4 22040 B15R1.157 C=CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000754431 [0,1,0,1,0,0|1,0,1]=4 22041 B15R1.157 C=CCCC(=O)CCCC1CCCCC1 1458a_100000749702_100011713725 [0,1,0,1,0,0|1,0,1]=4 22042 B15R1.157 C=CCNC(=O)CCCC1CCCCC1 1626a_100020586998_100000211478 [0,1,0,1,0,0|1,0,1]=4 22043 B15R1.157 C=CCNC(=O)CCCC1CCCCC1 240690a_100020586998_100000211478 [0,1,0,1,0,0|1,0,1]=4 22044 B15R1.157 C=CCNC(=O)CCCC1CCCCC1 527a_100020586998_100000211478 [0,1,0,1,0,0|1,0,1]=4 22045 B15R1.157 C=CCOC(=O)CNCC1CCCCC1 2230a_100000210473_100000033060 [0,1,0,1,0,0|1,0,1]=4 22046 B15R1.157 C=CCOC(=O)CNCC1CCCCC1 34a_100000210473_100000033060 [0,1,0,1,0,0|1,0,1]=4 22047 B15R1.157 C=CCOC(=O)COCC1CCCCC1 34a_100000212181_100000033060 [0,1,0,1,0,0|1,0,1]=4 22048 B15R1.157 C=CCOC(=O)COCC1CCCCC1 7a_100000212181_100000033060 [0,1,0,1,0,0|1,0,1]=4 22049 B15R1.157 C=CCOC(=O)CSCC1CCCCC1 62a_100000033060_100000211423 [0,1,0,1,0,0|1,0,1]=4 22050 B15R1.157 C=CCOC(=O)CSCC1CCCCC1 62a_100000211423_100000033060 [0,1,0,1,0,0|1,0,1]=4 22051 B15R1.157 CC#CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000748600 [0,1,0,1,0,0|1,0,1]=4 22052 B15R1.157 CC=CCC(=O)CCCC1CCCCC1 1458a_100000211478_100000070051 [0,1,0,1,0,0|1,0,1]=4 22053 B15R1.157 CC=CCC(=O)CCCC1CCCCC1 1458a_100121576822_100011713725 [0,1,0,1,0,0|1,0,1]=4 22054 B15R1.157 CCC#CC(=O)CCCC1CCCCC1 1458a_100011827653_100011713725 [0,1,0,1,0,0|1,0,0]=3 22055 B15R1.157 CCC#CC(=O)CCCN1CCCCC1 1458a_100011827653_100000690320 [0,1,0,1,0,0|2,0,0]=4 22056 B15R1.157 CCC#CC(=O)CCOC1CCCCC1 1458a_100011827653_100011211530 [0,1,0,1,0,0|2,0,0]=4 22057 B15R1.157 CCC=CC(=O)CCCC1CCCCC1 1458a_100000212282_100011713725 [0,1,0,1,0,0|1,0,0]=3 22058 B15R1.157 CCC=CC(=O)CCCN1CCCCC1 1458a_100000212282_100000690320 [0,1,0,1,0,0|2,0,0]=4 22059 B15R1.157 CCC=CC(=O)CCOC1CCCCC1 1458a_100000212282_100011211530 [0,1,0,1,0,0|2,0,0]=4 22060 B15R1.157 CCC=CC(=O)NCCC1CCCCC1 11a_100000738074_100000212282 [0,1,0,1,0,0|2,0,0]=4 22061 B15R1.157 CCC=CC(=O)NCCC1CCCCC1 1626a_100000738074_100000212282 [0,1,0,1,0,0|2,0,0]=4 22062 B15R1.157 CCC=CC(=O)NCCC1CCCCC1 240690a_100000738074_100000212282 [0,1,0,1,0,0|2,0,0]=4 22063 B15R1.157 CCCCC(=O)CCCC1CCCCC1 1458a_100000210183_100011713725 [0,1,0,1,0,0|1,0,0]=3 22064 B15R1.157 CCCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000210211 [0,1,0,1,0,0|1,0,0]=3 22065 B15R1.157 CCCCC(=O)CCCN1CCCCC1 1458a_100000210183_100000690320 [0,1,0,1,0,0|2,0,0]=4 22066 B15R1.157 CCCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000210211 [0,1,0,1,0,0|2,0,0]=4 22067 B15R1.157 CCCCC(=O)CCOC1CCCCC1 1458a_100000210183_100011211530 [0,1,0,1,0,0|2,0,0]=4 22068 B15R1.157 CCCCC(=O)NCCC1CCCCC1 11a_100000738074_100000210183 [0,1,0,1,0,0|2,0,0]=4 22069 B15R1.157 CCCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000210183 [0,1,0,1,0,0|2,0,0]=4 22070 B15R1.157 CCCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000210183 [0,1,0,1,0,0|2,0,0]=4 22071 B15R1.157 CCCCC(=O)NCCC1CCCCC1 527a_100000738074_100000210183 [0,1,0,1,0,0|2,0,0]=4 22072 B15R1.157 CCCNC(=O)CCCC1CCCCC1 11a_100020643023_100000211478 [0,1,0,1,0,0|1,0,0]=3 22073 B15R1.157 CCCNC(=O)CCCC1CCCCC1 1626a_100020643023_100000211478 [0,1,0,1,0,0|1,0,0]=3 22074 B15R1.157 CCCNC(=O)CCCC1CCCCC1 240690a_100020643023_100000211478 [0,1,0,1,0,0|1,0,0]=3 22075 B15R1.157 CCCNC(=O)CCCC1CCCCC1 527a_100020643023_100000211478 [0,1,0,1,0,0|1,0,0]=3 22076 B15R1.157 CCCNC(=O)CCCN1CCCCC1 240690a_100020643023_100000742516 [0,1,0,1,0,0|2,0,0]=4 22077 B15R1.157 CCCNC(=O)CNCC1CCCCC1 2230a_100000174927_100000211423 [0,1,0,1,0,0|2,0,0]=4 22078 B15R1.157 CCCNC(=O)CNCC1CCCCC1 2230a_100000210473_100000183358 [0,1,0,1,0,0|2,0,0]=4 22079 B15R1.157 CCCNC(=O)CNCC1CCCCC1 269862a_100000174927_100000211278 [0,1,0,1,0,0|2,0,0]=4 22080 B15R1.157 CCCNC(=O)CNCC1CCCCC1 34a_100000210473_100000183358 [0,1,0,1,0,0|2,0,0]=4 22081 B15R1.157 CCCNC(=O)COCC1CCCCC1 34a_100000212181_100000183358 [0,1,0,1,0,0|2,0,0]=4 22082 B15R1.157 CCCNC(=O)COCC1CCCCC1 7a_100000212181_100000183358 [0,1,0,1,0,0|2,0,0]=4 22083 B15R1.157 CCCNC(=O)CSCC1CCCCC1 62a_100000183358_100000211423 [0,1,0,1,0,0|2,0,0]=4 22084 B15R1.157 CCCNC(=O)CSCC1CCCCC1 62a_100000211423_100000183358 [0,1,0,1,0,0|2,0,0]=4 22085 B15R1.157 CCCNC(=O)NCCC1CCCCC1 2708a_100000738074_100020643023 [0,1,0,1,0,0|2,0,0]=4 22086 B15R1.157 CCCNC(=O)NCCC1CCCCC1 2708a_100020643023_100000738074 [0,1,0,1,0,0|2,0,0]=4 22087 B15R1.157 CCCNC(=O)NCCC1CCCCC1 273464a_100000738074_100020643023 [0,1,0,1,0,0|2,0,0]=4 22088 B15R1.157 CCCNC(=O)NCCC1CCCCC1 273464a_100020643023_100000738074 [0,1,0,1,0,0|2,0,0]=4 22089 B15R1.157 CCCNC(=O)NCCC1CCCCC1 512a_100000738074_100020643023 [0,1,0,1,0,0|2,0,0]=4 22090 B15R1.157 CCCNC(=O)NCCC1CCCCC1 512a_100020643023_100000738074 [0,1,0,1,0,0|2,0,0]=4 22091 B15R1.157 CCCOC(=O)CNCC1CCCCC1 2230a_100000210473_200011215008 [0,1,0,1,0,0|1,0,0]=3 22092 B15R1.157 CCCOC(=O)CNCC1CCCCC1 34a_100000210473_200011215008 [0,1,0,1,0,0|1,0,0]=3 22093 B15R1.157 CCCOC(=O)CNCC1CCCCO1 2230a_100000174945_200011215008 [0,1,0,1,0,0|2,0,0]=4 22094 B15R1.157 CCCOC(=O)CNCC1CCCCO1 34a_100000174945_200011215008 [0,1,0,1,0,0|2,0,0]=4 22095 B15R1.157 CCCOC(=O)CNCC1CCCOC1 2230a_100000720124_200011215008 [0,1,0,1,0,0|2,0,0]=4 22096 B15R1.157 CCCOC(=O)CNCC1CCCOC1 34a_100000720124_200011215008 [0,1,0,1,0,0|2,0,0]=4 22097 B15R1.157 CCCOC(=O)CNCC1CCOCC1 2230a_100000746373_200011215008 [0,1,0,1,0,0|2,0,0]=4 22098 B15R1.157 CCCOC(=O)CNCC1CCOCC1 34a_100000746373_200011215008 [0,1,0,1,0,0|2,0,0]=4 22099 B15R1.157 CCCOC(=O)CNCC1CCSCC1 2230a_100015188806_200011215008 [0,1,0,1,0,0|2,0,0]=4 22100 B15R1.157 CCCOC(=O)CNCC1CCSCC1 34a_100015188806_200011215008 [0,1,0,1,0,0|2,0,0]=4 22101 B15R1.157 CCCOC(=O)COCC1CCCCC1 34a_100000212181_200011215008 [0,1,0,1,0,0|1,0,0]=3 22102 B15R1.157 CCCOC(=O)COCC1CCCCC1 7a_100000212181_200011215008 [0,1,0,1,0,0|1,0,0]=3 22103 B15R1.157 CCCOC(=O)COCC1CCCCN1 34a_100000210821_200011215008 [0,1,0,1,0,0|2,0,0]=4 22104 B15R1.157 CCCOC(=O)COCC1CCCCO1 34a_100000211370_200011215008 [0,1,0,1,0,0|2,0,0]=4 22105 B15R1.157 CCCOC(=O)COCC1CCCCO1 7a_100000211370_200011215008 [0,1,0,1,0,0|2,0,0]=4 22106 B15R1.157 CCCOC(=O)COCC1CCCNC1 34a_100000211344_200011215008 [0,1,0,1,0,0|2,0,0]=4 22107 B15R1.157 CCCOC(=O)COCC1CCCOC1 34a_100000741520_200011215008 [0,1,0,1,0,0|2,0,0]=4 22108 B15R1.157 CCCOC(=O)COCC1CCNCC1 34a_100000738675_200011215008 [0,1,0,1,0,0|2,0,0]=4 22109 B15R1.157 CCCOC(=O)COCC1CCOCC1 34a_100000749013_200011215008 [0,1,0,1,0,0|2,0,0]=4 22110 B15R1.157 CCCOC(=O)COCC1CCSCC1 34a_100000070558_200011215008 [0,1,0,1,0,0|2,0,0]=4 22111 B15R1.157 CCCOC(=O)COCC1CCSCC1 7a_100000070558_200011215008 [0,1,0,1,0,0|2,0,0]=4 22112 B15R1.157 CCCOC(=O)CSCC1CCCCC1 62a_100000211423_200011215008 [0,1,0,1,0,0|1,0,0]=3 22113 B15R1.157 CCCOC(=O)CSCC1CCCCC1 62a_200011215008_100000211423 [0,1,0,1,0,0|1,0,0]=3 22114 B15R1.157 CCCOC(=O)CSCC1CCCCO1 62a_100000211543_200011215008 [0,1,0,1,0,0|2,0,0]=4 22115 B15R1.157 CCCOC(=O)CSCC1CCCCO1 62a_200011215008_100000211543 [0,1,0,1,0,0|2,0,0]=4 22116 B15R1.157 CCCOC(=O)CSCC1CCCOC1 62a_100000741521_200011215008 [0,1,0,1,0,0|2,0,0]=4 22117 B15R1.157 CCCOC(=O)CSCC1CCCOC1 62a_200011215008_100000741521 [0,1,0,1,0,0|2,0,0]=4 22118 B15R1.157 CCCOC(=O)CSCC1CCOCC1 62a_100000754603_200011215008 [0,1,0,1,0,0|2,0,0]=4 22119 B15R1.157 CCCOC(=O)CSCC1CCOCC1 62a_200011215008_100000749018 [0,1,0,1,0,0|2,0,0]=4 22120 B15R1.157 CCCOC(=O)OCNC1CCCCC1 34a_100000182618_200000139673 [0,1,0,1,0,0|2,0,0]=4 22121 B15R1.157 CCCOC(=O)OCOC1CCCCC1 34a_100000210231_200000139673 [0,1,0,1,0,0|2,0,0]=4 22122 B15R1.157 CCCOC(=O)OCOC1CCCCC1 7a_100000210231_200000139673 [0,1,0,1,0,0|2,0,0]=4 22123 B15R1.157 CCCOC(=O)OCSC1CCCCC1 62a_100000210327_200000139673 [0,1,0,1,0,0|2,0,0]=4 22124 B15R1.157 CCNNC(=O)CCCC1CCCCC1 22a_100000756455_100000211478 [0,1,0,1,0,0|1,0,0]=3 22125 B15R1.157 CCNNC(=O)CCCN1CCCCC1 22a_100000756455_100000742516 [0,1,0,1,0,0|2,0,0]=4 22126 B15R1.157 CCNNC(=O)NCCC1CCCCC1 273464a_100000738074_100000756455 [0,1,0,1,0,0|2,0,0]=4 22127 B15R1.157 CCNNC(=O)NCCC1CCCCC1 512a_100000738074_100000756455 [0,1,0,1,0,0|2,0,0]=4 22128 B15R1.157 CCNNC(=O)NCCC1CCCCC1 512a_100000756455_100000738074 [0,1,0,1,0,0|2,0,0]=4 22129 B15R1.157 CCOCC(=O)CCCC1CCCCC1 1458a_100000211967_100011713725 [0,1,0,1,0,0|0,0,0]=2 22130 B15R1.157 CCOCC(=O)CCCN1CCCCC1 1458a_100000211967_100000690320 [0,1,0,1,0,0|1,0,0]=3 22131 B15R1.157 CCOCC(=O)CCCN1CCOCC1 1458a_100000211967_100000748698 [0,1,0,1,0,0|2,0,0]=4 22132 B15R1.157 CCOCC(=O)CCOC1CCCCC1 1458a_100000211967_100011211530 [0,1,0,1,0,0|1,0,0]=3 22133 B15R1.157 CCOCC(=O)CCOC1CCCCO1 1458a_100000211967_100000744793 [0,1,0,1,0,0|2,0,0]=4 22134 B15R1.157 CCOCC(=O)NCCC1CCCCC1 11a_100000738074_100000211967 [0,1,0,1,0,0|1,0,0]=3 22135 B15R1.157 CCOCC(=O)NCCC1CCCCC1 1626a_100000738074_100000211967 [0,1,0,1,0,0|1,0,0]=3 22136 B15R1.157 CCOCC(=O)NCCC1CCCCC1 240690a_100000738074_100000211967 [0,1,0,1,0,0|1,0,0]=3 22137 B15R1.157 CCOCC(=O)NCCC1CCCCC1 527a_100000738074_100000211967 [0,1,0,1,0,0|1,0,0]=3 22138 B15R1.157 CCOCC(=O)NCCC1CCCCO1 11a_100015183643_100000211967 [0,1,0,1,0,0|2,0,0]=4 22139 B15R1.157 CCOCC(=O)NCCC1CCCCO1 1626a_100015183643_100000211967 [0,1,0,1,0,0|2,0,0]=4 22140 B15R1.157 CCOCC(=O)NCCC1CCCCO1 240690a_100015183643_100000211967 [0,1,0,1,0,0|2,0,0]=4 22141 B15R1.157 CCOCC(=O)NCCC1CCCCO1 527a_100015183643_100000211967 [0,1,0,1,0,0|2,0,0]=4 22142 B15R1.157 CCOCC(=O)NCCC1CCOCC1 11a_100000755988_100000211967 [0,1,0,1,0,0|2,0,0]=4 22143 B15R1.157 CCOCC(=O)NCCC1CCOCC1 1626a_100000755988_100000211967 [0,1,0,1,0,0|2,0,0]=4 22144 B15R1.157 CCOCC(=O)NCCC1CCOCC1 240690a_100000755988_100000211967 [0,1,0,1,0,0|2,0,0]=4 22145 B15R1.157 CCOCC(=O)NCCC1CCOCC1 527a_100000755988_100000211967 [0,1,0,1,0,0|2,0,0]=4 22146 B15R1.157 CCOCC(=O)NCCN1CCCCC1 240690a_100000216509_100000211967 [0,1,0,1,0,0|2,0,0]=4 22147 B15R1.157 CCOCC(=O)NCCN1CCCCC1 527a_100000216509_100000211967 [0,1,0,1,0,0|2,0,0]=4 22148 B15R1.157 CCOCC(=O)NNCC1CCCCC1 22a_100000740227_100000211967 [0,1,0,1,0,0|2,0,0]=4 22149 B15R1.157 CCSCC(=O)CCCC1CCCCC1 1458a_100000230394_100011713725 [0,1,0,1,0,0|0,1,0]=3 22150 B15R1.157 CCSCC(=O)CCCN1CCCCC1 1458a_100000230394_100000690320 [0,1,0,1,0,0|1,1,0]=4 22151 B15R1.157 CCSCC(=O)CCOC1CCCCC1 1458a_100000230394_100011211530 [0,1,0,1,0,0|1,1,0]=4 22152 B15R1.157 CCSCC(=O)NCCC1CCCCC1 11a_100000738074_100000230394 [0,1,0,1,0,0|1,1,0]=4 22153 B15R1.157 CCSCC(=O)NCCC1CCCCC1 1626a_100000738074_100000230394 [0,1,0,1,0,0|1,1,0]=4 22154 B15R1.157 CCSCC(=O)NCCC1CCCCC1 240690a_100000738074_100000230394 [0,1,0,1,0,0|1,1,0]=4 22155 B15R1.157 CCSCC(=O)NCCC1CCCCC1 527a_100000738074_100000230394 [0,1,0,1,0,0|1,1,0]=4 22156 B15R1.157 COC=CC(=O)CCCC1CCCCC1 1458a_100016268678_100011713725 [0,1,0,1,0,0|1,0,1]=4 22157 B15R1.157 COCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000233755 [0,1,0,1,0,0|1,0,0]=3 22158 B15R1.157 COCCC(=O)CCCC1CCCCC1 1458a_100000749529_100011713725 [0,1,0,1,0,0|1,0,0]=3 22159 B15R1.157 COCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000233755 [0,1,0,1,0,0|2,0,0]=4 22160 B15R1.157 COCCC(=O)CCCN1CCCCC1 1458a_100000749529_100000690320 [0,1,0,1,0,0|2,0,0]=4 22161 B15R1.157 COCCC(=O)CCOC1CCCCC1 1458a_100000749529_100011211530 [0,1,0,1,0,0|2,0,0]=4 22162 B15R1.157 COCCC(=O)NCCC1CCCCC1 11a_100000738074_100000749529 [0,1,0,1,0,0|2,0,0]=4 22163 B15R1.157 COCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000749529 [0,1,0,1,0,0|2,0,0]=4 22164 B15R1.157 COCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000749529 [0,1,0,1,0,0|2,0,0]=4 22165 B15R1.157 COCCC(=O)NCCC1CCCCC1 527a_100000738074_100000749529 [0,1,0,1,0,0|2,0,0]=4 22166 B15R1.157 CSCCC(=O)CCCC1CCCCC1 1458a_100000174002_100011713725 [0,1,0,1,0,0|1,0,0]=3 22167 B15R1.157 CSCCC(=O)CCCC1CCCCC1 1458a_100000211478_100000751147 [0,1,0,1,0,0|1,0,0]=3 22168 B15R1.157 CSCCC(=O)CCCN1CCCCC1 1458a_100000174002_100000690320 [0,1,0,1,0,0|2,0,0]=4 22169 B15R1.157 CSCCC(=O)CCCN1CCCCC1 1458a_100000742516_100000751147 [0,1,0,1,0,0|2,0,0]=4 22170 B15R1.157 CSCCC(=O)CCOC1CCCCC1 1458a_100000174002_100011211530 [0,1,0,1,0,0|2,0,0]=4 22171 B15R1.157 CSCCC(=O)NCCC1CCCCC1 11a_100000738074_100000174002 [0,1,0,1,0,0|2,0,0]=4 22172 B15R1.157 CSCCC(=O)NCCC1CCCCC1 1626a_100000738074_100000174002 [0,1,0,1,0,0|2,0,0]=4 22173 B15R1.157 CSCCC(=O)NCCC1CCCCC1 240690a_100000738074_100000174002 [0,1,0,1,0,0|2,0,0]=4 22174 B15R1.157 CSCCC(=O)NCCC1CCCCC1 527a_100000738074_100000174002 [0,1,0,1,0,0|2,0,0]=4 22175 B15R1.157 N#CCCC(=O)CCCC1CCCCC1 1458a_100000211478_100011215226 [0,1,0,1,0,0|1,0,1]=4 22176 B15R1.157 N#CCCC(=O)CCCC1CCCCC1 1458a_100011934036_100011713725 [0,1,0,1,0,0|1,0,1]=4 22177 B15R1.157 N#CCNC(=O)CCCC1CCCCC1 1626a_100000734998_100000211478 [0,1,0,1,0,0|1,0,1]=4 22178 B15R1.157 N#CCNC(=O)CCCC1CCCCC1 527a_100000734998_100000211478 [0,1,0,1,0,0|1,0,1]=4 22179 B15R1.157 O=C(C#CCO)CCCC1CCCCC1 1458a_100000049017_100011713725 [0,1,0,1,0,0|1,0,1]=4 22180 B15R1.157 O=C(CCCC1CCCCC1)NCCF 11a_100000724931_100000211478 [0,1,0,1,0,0|1,0,0]=3 22181 B15R1.157 O=C(CCCC1CCCCC1)NCCF 1626a_100000724931_100000211478 [0,1,0,1,0,0|1,0,0]=3 22182 B15R1.157 O=C(CCCC1CCCCC1)NCCF 240690a_100000724931_100000211478 [0,1,0,1,0,0|1,0,0]=3 22183 B15R1.157 O=C(CCCC1CCCCC1)NCCF 527a_100000724931_100000211478 [0,1,0,1,0,0|1,0,0]=3 22184 B15R1.157 O=C(CCCC1CCCCC1)NCCO 240690a_100000210304_100000211478 [0,1,0,1,0,0|1,0,0]=3 22185 B15R1.157 O=C(CCCC1CCCCC1)NCCO 527a_100000210304_100000211478 [0,1,0,1,0,0|1,0,0]=3 22186 B15R1.157 O=C(CCCF)CCCC1CCCCC1 1458a_100000211478_100011934791 [0,1,0,1,0,0|1,0,0]=3 22187 B15R1.157 O=C(CCCF)CCCN1CCCCC1 1458a_100000742516_100011934791 [0,1,0,1,0,0|2,0,0]=4 22188 B15R1.157 O=C(CCCN1CCCCC1)NCCF 240690a_100000724931_100000742516 [0,1,0,1,0,0|2,0,0]=4 22189 B15R1.157 O=C(CCCN1CCCCC1)NCCO 240690a_100000210304_100000742516 [0,1,0,1,0,0|2,0,0]=4 22190 B15R1.157 O=C(CCCO)CCCC1CCCCC1 1458a_100000211478_100011215043 [0,1,0,1,0,0|1,0,0]=3 22191 B15R1.157 O=C(CCCO)CCCN1CCCCC1 1458a_100000742516_100011215043 [0,1,0,1,0,0|2,0,0]=4 22192 B15R1.157 O=C(CNCC1CCCCC1)NCCF 2230a_100000725713_100000211423 [0,1,0,1,0,0|2,0,0]=4 22193 B15R1.157 O=C(NCCF)NCCC1CCCCC1 2708a_100000738074_100000724931 [0,1,0,1,0,0|2,0,0]=4 22194 B15R1.157 O=C(NCCF)NCCC1CCCCC1 273464a_100000724931_100000738074 [0,1,0,1,0,0|2,0,0]=4 22195 B15R1.157 O=C(NCCF)NCCC1CCCCC1 273464a_100000738074_100000724931 [0,1,0,1,0,0|2,0,0]=4 22196 B15R1.157 O=C(NCCF)NCCC1CCCCC1 512a_100000738074_100000724931 [0,1,0,1,0,0|2,0,0]=4 22197 B15R1.157 O=C(NCCO)NCCC1CCCCC1 2708a_100000738074_100000210304 [0,1,0,1,0,0|2,0,0]=4 22198 B15R1.157 O=C(NCCO)NCCC1CCCCC1 273464a_100000210304_100000738074 [0,1,0,1,0,0|2,0,0]=4 22199 B15R1.157 O=C(NCCO)NCCC1CCCCC1 273464a_100000738074_100000210304 [0,1,0,1,0,0|2,0,0]=4 22200 B15R1.157 O=C(NCCO)NCCC1CCCCC1 512a_100000738074_100000210304 [0,1,0,1,0,0|2,0,0]=4 22201 B15R1.1208 C=C(CNC1CCCCC1C)OCOC 34a_100000211402_100000042856 [0,1,0,1,0,0|2,0,0]=4 22202 B15R1.1208 C=C(COC1CCCCC1C)OCOC 34a_100000211207_100000042856 [0,1,0,1,0,0|2,0,0]=4 22203 B15R1.1208 C=CCOC(=O)CNC1CCCCC1C 2230a_100000211402_100000033060 [0,1,0,1,0,0|1,0,1]=4 22204 B15R1.1208 C=CCOC(=O)CNC1CCCCC1C 34a_100000211402_100000033060 [0,1,0,1,0,0|1,0,1]=4 22205 B15R1.1208 C=CCOC(=O)COC1CCCCC1C 34a_100000211207_100000033060 [0,1,0,1,0,0|1,0,1]=4 22206 B15R1.1208 C=CCOC(=O)COC1CCCCC1C 7a_100000211207_100000033060 [0,1,0,1,0,0|1,0,1]=4 22207 B15R1.1208 CC1CCCCC1NCC(=O)NCCF 270004a_100000725713_100000210921 [0,1,0,1,0,0|2,0,0]=4 22208 B15R1.1208 CC1CCCCC1OCC(=O)CCCF 1458a_100011223357_100011934791 [0,1,0,1,0,0|2,0,0]=4 22209 B15R1.1208 CC1CCCCC1OCC(=O)CCCO 1458a_100011223357_100011215043 [0,1,0,1,0,0|2,0,0]=4 22210 B15R1.1208 CC1CCCCC1OCC(=O)NCCF 11a_100000724931_100011223357 [0,1,0,1,0,0|2,0,0]=4 22211 B15R1.1208 CC1CCCCC1OCC(=O)NCCF 1626a_100000724931_100011223357 [0,1,0,1,0,0|2,0,0]=4 22212 B15R1.1208 CC1CCCCC1OCC(=O)NCCF 240690a_100000724931_100011223357 [0,1,0,1,0,0|2,0,0]=4 22213 B15R1.1208 CC1CCCCC1OCC(=O)NCCF 527a_100000724931_100011223357 [0,1,0,1,0,0|2,0,0]=4 22214 B15R1.1208 CC1CCCCC1OCC(=O)NCCO 240690a_100000210304_100011223357 [0,1,0,1,0,0|2,0,0]=4 22215 B15R1.1208 CC1CCCCC1OCC(=O)NCCO 527a_100000210304_100011223357 [0,1,0,1,0,0|2,0,0]=4 22216 B15R1.1208 CC1CCCCN1CCC(=O)NCCF 240690a_100000724931_100000727554 [0,1,0,1,0,0|2,0,0]=4 22217 B15R1.1208 CC1CCCCN1CCC(=O)NCCO 240690a_100000210304_100000727554 [0,1,0,1,0,0|2,0,0]=4 22218 B15R1.1208 CCC#CC(=O)CCC1CCCCN1C 1458a_100011827653_100000211948 [0,1,0,1,0,0|2,0,0]=4 22219 B15R1.1208 CCC=CC(=O)CCC1CCCCN1C 1458a_100000212282_100000211948 [0,1,0,1,0,0|2,0,0]=4 22220 B15R1.1208 CCCCC(=O)CCC1CCCCN1C 1458a_100000210183_100000211948 [0,1,0,1,0,0|2,0,0]=4 22221 B15R1.1208 CCCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210211 [0,1,0,1,0,0|2,0,0]=4 22222 B15R1.1208 CCCCC(=O)COC1CCCCC1C 1458a_100011223357_100000210211 [0,1,0,1,0,0|2,0,0]=4 22223 B15R1.1208 CCCNC(=O)CCC1CCCCN1C 240690a_100020643023_100000718493 [0,1,0,1,0,0|2,0,0]=4 22224 B15R1.1208 CCCNC(=O)CCC1CCCCN1C 527a_100020643023_100000718493 [0,1,0,1,0,0|2,0,0]=4 22225 B15R1.1208 CCCNC(=O)CCN1CCCCC1C 240690a_100020643023_100000727554 [0,1,0,1,0,0|2,0,0]=4 22226 B15R1.1208 CCCNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183358 [0,1,0,1,0,0|2,0,0]=4 22227 B15R1.1208 CCCNC(=O)CNC1CCCCC1C 269862a_100000174927_100000210921 [0,1,0,1,0,0|2,0,0]=4 22228 B15R1.1208 CCCNC(=O)CNC1CCCCC1C 270004a_100000174927_100000210921 [0,1,0,1,0,0|2,0,0]=4 22229 B15R1.1208 CCCNC(=O)CNC1CCCCC1C 34a_100000211402_100000183358 [0,1,0,1,0,0|2,0,0]=4 22230 B15R1.1208 CCCNC(=O)COC1CCCCC1C 11a_100020643023_100011223357 [0,1,0,1,0,0|2,0,0]=4 22231 B15R1.1208 CCCNC(=O)COC1CCCCC1C 1626a_100020643023_100011223357 [0,1,0,1,0,0|2,0,0]=4 22232 B15R1.1208 CCCNC(=O)COC1CCCCC1C 240690a_100020643023_100011223357 [0,1,0,1,0,0|2,0,0]=4 22233 B15R1.1208 CCCNC(=O)COC1CCCCC1C 34a_100000211207_100000183358 [0,1,0,1,0,0|2,0,0]=4 22234 B15R1.1208 CCCNC(=O)COC1CCCCC1C 527a_100020643023_100011223357 [0,1,0,1,0,0|2,0,0]=4 22235 B15R1.1208 CCCNC(=O)COC1CCCCC1C 7a_100000211207_100000183358 [0,1,0,1,0,0|2,0,0]=4 22236 B15R1.1208 CCCOC(=O)CNC1CCCCC1C 2230a_100000211402_200011215008 [0,1,0,1,0,0|1,0,0]=3 22237 B15R1.1208 CCCOC(=O)CNC1CCCCC1C 34a_100000211402_200011215008 [0,1,0,1,0,0|1,0,0]=3 22238 B15R1.1208 CCCOC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200011215008 [0,1,0,1,0,0|2,0,0]=4 22239 B15R1.1208 CCCOC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200011215008 [0,1,0,1,0,0|2,0,0]=4 22240 B15R1.1208 CCCOC(=O)COC1CCCCC1C 34a_100000211207_200011215008 [0,1,0,1,0,0|1,0,0]=3 22241 B15R1.1208 CCCOC(=O)COC1CCCCC1C 7a_100000211207_200011215008 [0,1,0,1,0,0|1,0,0]=3 22242 B15R1.1208 CCCOC(=O)COC1CCCCC1Cl 34a_100000038908_200011215008 [0,1,0,1,0,0|2,0,0]=4 22243 B15R1.1208 CCCOC(=O)COC1CCCCC1Cl 7a_100000038908_200011215008 [0,1,0,1,0,0|2,0,0]=4 22244 B15R1.1208 CCCOC(=O)COC1CCNCC1C 34a_100011998114_200011215008 [0,1,0,1,0,0|2,0,0]=4 22245 B15R1.1208 CCCOC(=O)COC1CNCCC1C 34a_100000696640_200011215008 [0,1,0,1,0,0|2,0,0]=4 22246 B15R1.1208 CCCOC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200011215008 [0,1,0,1,0,0|2,0,0]=4 22247 B15R1.1208 CCCOC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200011215008 [0,1,0,1,0,0|2,0,0]=4 22248 B15R1.1208 CCCOC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_200011215008 [0,1,0,1,0,0|2,0,0]=4 22249 B15R1.1208 CCCOC(=O)CSC1CCCCC1F 62a_100015423560_200011215008 [0,1,0,1,0,0|2,0,0]=4 22250 B15R1.1208 CCCOC(=O)CSC1CCCCC1F 62a_200011215008_100015423560 [0,1,0,1,0,0|2,0,0]=4 22251 B15R1.1208 CCCOC(=O)CSC1CCCCC1O 62a_100000038908_200011215008 [0,1,0,1,0,0|2,0,0]=4 22252 B15R1.1208 CCCOC(=O)CSC1CCCCC1O 62a_200011215008_100000038908 [0,1,0,1,0,0|2,0,0]=4 22253 B15R1.1208 CCCOC(=O)OCN1CCCCC1C 269982a_100000211376_200000139673 [0,1,0,1,0,0|2,0,0]=4 22254 B15R1.1208 CCCOC(=O)OCN1CCCCC1C 34a_100000211376_200000139673 [0,1,0,1,0,0|2,0,0]=4 22255 B15R1.1208 CCNNC(=O)CCC1CCCCN1C 22a_100000756455_100000718493 [0,1,0,1,0,0|2,0,0]=4 22256 B15R1.1208 CCNNC(=O)CCN1CCCCC1C 22a_100000756455_100000727554 [0,1,0,1,0,0|2,0,0]=4 22257 B15R1.1208 CCNNC(=O)COC1CCCCC1C 22a_100000756455_100011223357 [0,1,0,1,0,0|2,0,0]=4 22258 B15R1.1208 CCOCC(=O)CCC1CCCCN1C 1458a_100000211967_100000211948 [0,1,0,1,0,0|1,0,0]=3 22259 B15R1.1208 CCOCC(=O)NCC1CCCCC1O 240690a_100011216029_100000211967 [0,1,0,1,0,0|2,0,0]=4 22260 B15R1.1208 CCOCC(=O)NCC1CCCCC1O 527a_100011216029_100000211967 [0,1,0,1,0,0|2,0,0]=4 22261 B15R1.1208 CCOCC(=O)NCC1CCCCN1C 240690a_100011228421_100000211967 [0,1,0,1,0,0|2,0,0]=4 22262 B15R1.1208 CCOCC(=O)NCC1CCCCN1C 527a_100011228421_100000211967 [0,1,0,1,0,0|2,0,0]=4 22263 B15R1.1208 CCSCC(=O)CCC1CCCCN1C 1458a_100000230394_100000211948 [0,1,0,1,0,0|1,1,0]=4 22264 B15R1.1208 CN1CCCCC1CCC(=O)CCCF 1458a_100000718493_100011934791 [0,1,0,1,0,0|2,0,0]=4 22265 B15R1.1208 CN1CCCCC1CCC(=O)CCCO 1458a_100000718493_100011215043 [0,1,0,1,0,0|2,0,0]=4 22266 B15R1.1208 CN1CCCCC1CCC(=O)NCCF 240690a_100000724931_100000718493 [0,1,0,1,0,0|2,0,0]=4 22267 B15R1.1208 CN1CCCCC1CCC(=O)NCCF 527a_100000724931_100000718493 [0,1,0,1,0,0|2,0,0]=4 22268 B15R1.1208 CN1CCCCC1CCC(=O)NCCO 240690a_100000210304_100000718493 [0,1,0,1,0,0|2,0,0]=4 22269 B15R1.1208 CN1CCCCC1CCC(=O)NCCO 527a_100000210304_100000718493 [0,1,0,1,0,0|2,0,0]=4 22270 B15R1.1208 COCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000233755 [0,1,0,1,0,0|2,0,0]=4 22271 B15R1.1208 COCCC(=O)CCC1CCCCN1C 1458a_100000749529_100000211948 [0,1,0,1,0,0|2,0,0]=4 22272 B15R1.1208 COCCC(=O)COC1CCCCC1C 1458a_100011223357_100000233755 [0,1,0,1,0,0|2,0,0]=4 22273 B15R1.1208 CSCCC(=O)CCC1CCCCN1C 1458a_100000174002_100000211948 [0,1,0,1,0,0|2,0,0]=4 22274 B15R1.1208 CSCCC(=O)CCC1CCCCN1C 1458a_100000718493_100000751147 [0,1,0,1,0,0|2,0,0]=4 22275 B15R1.1208 CSCCC(=O)COC1CCCCC1C 1458a_100011223357_100000751147 [0,1,0,1,0,0|2,0,0]=4 22276 B15R1.1213 CCC1CCCC1NCC(=O)NCCF 270004a_100000725713_100000749056 [0,1,0,1,0,0|2,0,0]=4 22277 B15R1.1213 CCCNC(=O)CNC1CCCC1CC 269862a_100000174927_100000749056 [0,1,0,1,0,0|2,0,0]=4 22278 B15R1.1213 CCCNC(=O)CNC1CCCC1CC 270004a_100000174927_100000749056 [0,1,0,1,0,0|2,0,0]=4 22279 B15R1.1213 CCCOC(=O)OCN1CCCC1CC 269982a_100000754278_200000139673 [0,1,0,1,0,0|2,0,0]=4 22280 B15R1.1213 CCCOC(=O)OCN1CCCC1CC 34a_100000754278_200000139673 [0,1,0,1,0,0|2,0,0]=4 22281 B15R1.1213 CCOCC(=O)NCC1CCCN1CC 11a_100000211693_100000211967 [0,1,0,1,0,0|2,0,0]=4 22282 B15R1.1213 CCOCC(=O)NCC1CCCN1CC 1626a_100000211693_100000211967 [0,1,0,1,0,0|2,0,0]=4 22283 B15R1.1213 CCOCC(=O)NCC1CCCN1CC 240690a_100000211693_100000211967 [0,1,0,1,0,0|2,0,0]=4 22284 B15R1.1213 CCOCC(=O)NCC1CCCN1CC 527a_100000211693_100000211967 [0,1,0,1,0,0|2,0,0]=4 22285 B15R1.1223 CCCNC(=O)CCCOCC1CC1C 7a_100000744939_100011194427 [0,1,0,1,0,0|2,0,0]=4 22286 B15R1.1224 CCCNC(=O)CCCNCC1CCC1 2230a_100000738700_100011194427 [0,1,0,1,0,0|2,0,0]=4 22287 B15R1.1224 CCCNC(=O)CCCSCC1CCC1 62a_100000763275_100011194427 [0,1,0,1,0,0|2,0,0]=4 22288 B15R1.1224 CCCNC(=O)CCCSCC1CCC1 62a_100011194427_100000763275 [0,1,0,1,0,0|2,0,0]=4 22289 B15R1.1240 CCC=CC(=O)N1CCCCC1CCC 11a_100000701414_100000212282 [0,1,0,1,0,0|2,0,0]=4 22290 B15R1.1240 CCC=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000212282 [0,1,0,1,0,0|2,0,0]=4 22291 B15R1.1240 CCC=CC(=O)N1CCCCC1CCC 240690a_100000701414_100000212282 [0,1,0,1,0,0|2,0,0]=4 22292 B15R1.1240 CCCC1CCCCN1C(=O)CCOC 11a_100000701414_100000749529 [0,1,0,1,0,0|2,0,0]=4 22293 B15R1.1240 CCCC1CCCCN1C(=O)CCOC 1626a_100000701414_100000749529 [0,1,0,1,0,0|2,0,0]=4 22294 B15R1.1240 CCCC1CCCCN1C(=O)CCOC 240690a_100000701414_100000749529 [0,1,0,1,0,0|2,0,0]=4 22295 B15R1.1240 CCCC1CCCCN1C(=O)CCOC 527a_100000701414_100000749529 [0,1,0,1,0,0|2,0,0]=4 22296 B15R1.1240 CCCC1CCCCN1C(=O)CCSC 11a_100000701414_100000174002 [0,1,0,1,0,0|2,0,0]=4 22297 B15R1.1240 CCCC1CCCCN1C(=O)CCSC 1626a_100000701414_100000174002 [0,1,0,1,0,0|2,0,0]=4 22298 B15R1.1240 CCCC1CCCCN1C(=O)CCSC 240690a_100000701414_100000174002 [0,1,0,1,0,0|2,0,0]=4 22299 B15R1.1240 CCCC1CCCCN1C(=O)CCSC 527a_100000701414_100000174002 [0,1,0,1,0,0|2,0,0]=4 22300 B15R1.1240 CCCC1CCCCN1C(=O)COCC 11a_100000701414_100000211967 [0,1,0,1,0,0|1,0,0]=3 22301 B15R1.1240 CCCC1CCCCN1C(=O)COCC 1626a_100000701414_100000211967 [0,1,0,1,0,0|1,0,0]=3 22302 B15R1.1240 CCCC1CCCCN1C(=O)COCC 240690a_100000701414_100000211967 [0,1,0,1,0,0|1,0,0]=3 22303 B15R1.1240 CCCC1CCCCN1C(=O)COCC 527a_100000701414_100000211967 [0,1,0,1,0,0|1,0,0]=3 22304 B15R1.1240 CCCC1CCCCN1C(=O)CSCC 11a_100000701414_100000230394 [0,1,0,1,0,0|1,1,0]=4 22305 B15R1.1240 CCCC1CCCCN1C(=O)CSCC 1626a_100000701414_100000230394 [0,1,0,1,0,0|1,1,0]=4 22306 B15R1.1240 CCCC1CCCCN1C(=O)CSCC 240690a_100000701414_100000230394 [0,1,0,1,0,0|1,1,0]=4 22307 B15R1.1240 CCCC1CCCCN1C(=O)CSCC 527a_100000701414_100000230394 [0,1,0,1,0,0|1,1,0]=4 22308 B15R1.1240 CCCC1CCCCN1C(=O)NCCF 273464a_100000724931_100000701414 [0,1,0,1,0,0|2,0,0]=4 22309 B15R1.1240 CCCC1CCCCN1C(=O)NCCO 273464a_100000210304_100000701414 [0,1,0,1,0,0|2,0,0]=4 22310 B15R1.1240 CCCC1COCCN1C(=O)COCC 11a_102495339903_100000211967 [0,1,0,1,0,0|2,0,0]=4 22311 B15R1.1240 CCCC1COCCN1C(=O)COCC 1626a_102495339903_100000211967 [0,1,0,1,0,0|2,0,0]=4 22312 B15R1.1240 CCCC1COCCN1C(=O)COCC 240690a_102495339903_100000211967 [0,1,0,1,0,0|2,0,0]=4 22313 B15R1.1240 CCCC1COCCN1C(=O)COCC 527a_102495339903_100000211967 [0,1,0,1,0,0|2,0,0]=4 22314 B15R1.1240 CCCCC(=O)C1CCCCN1CCC 1458a_100000743559_100000210211 [0,1,0,1,0,0|2,0,0]=4 22315 B15R1.1240 CCCCC(=O)N1CCCCC1CCC 11a_100000701414_100000210183 [0,1,0,1,0,0|2,0,0]=4 22316 B15R1.1240 CCCCC(=O)N1CCCCC1CCC 1626a_100000701414_100000210183 [0,1,0,1,0,0|2,0,0]=4 22317 B15R1.1240 CCCCC(=O)N1CCCCC1CCC 240690a_100000701414_100000210183 [0,1,0,1,0,0|2,0,0]=4 22318 B15R1.1240 CCCCC(=O)N1CCCCC1CCC 527a_100000701414_100000210183 [0,1,0,1,0,0|2,0,0]=4 22319 B15R1.1240 CCCN1CCCCC1C(=O)CCCF 1458a_100000743559_100011934791 [0,1,0,1,0,0|2,0,0]=4 22320 B15R1.1240 CCCN1CCCCC1C(=O)CCCO 1458a_100000743559_100011215043 [0,1,0,1,0,0|2,0,0]=4 22321 B15R1.1240 CCCN1CCCCC1C(=O)CCOC 1458a_100000743559_100000233755 [0,1,0,1,0,0|2,0,0]=4 22322 B15R1.1240 CCCN1CCCCC1C(=O)CCSC 1458a_100000743559_100000751147 [0,1,0,1,0,0|2,0,0]=4 22323 B15R1.1240 CCCN1CCCCC1C(=O)NCCF 240690a_100000724931_100000743559 [0,1,0,1,0,0|2,0,0]=4 22324 B15R1.1240 CCCN1CCCCC1C(=O)NCCO 240690a_100000210304_100000743559 [0,1,0,1,0,0|2,0,0]=4 22325 B15R1.1240 CCCN1CCCCC1C(=O)NNCC 22a_100000756455_100000743559 [0,1,0,1,0,0|2,0,0]=4 22326 B15R1.1240 CCCNC(=O)C1CCCCN1CCC 240690a_100020643023_100000743559 [0,1,0,1,0,0|2,0,0]=4 22327 B15R1.1240 CCCNC(=O)N1CCCCC1CCC 2708a_100020643023_100000701414 [0,1,0,1,0,0|2,0,0]=4 22328 B15R1.1240 CCCNC(=O)N1CCCCC1CCC 273464a_100020643023_100000701414 [0,1,0,1,0,0|2,0,0]=4 22329 B15R1.1240 CCOCC(=O)N1CCCCC1CCO 240690a_100000211664_100000211967 [0,1,0,1,0,0|2,0,0]=4 22330 B15R1.1240 CCOCC(=O)N1CCCCC1COC 11a_100015184032_100000211967 [0,1,0,1,0,0|2,0,0]=4 22331 B15R1.1240 CCOCC(=O)N1CCCCC1COC 1626a_100015184032_100000211967 [0,1,0,1,0,0|2,0,0]=4 22332 B15R1.1240 CCOCC(=O)N1CCCCC1COC 240690a_100015184032_100000211967 [0,1,0,1,0,0|2,0,0]=4 22333 B15R1.1240 CCOCC(=O)N1CCCCC1COC 527a_100015184032_100000211967 [0,1,0,1,0,0|2,0,0]=4 22334 B15R1.1933 CCCCCCCOC1C(=O)COC1=O 34a_100000210272_100000032967 [0,1,0,1,0,0|1,0,1]=4 22335 B15R1.1933 CCCCCCCSC1C(=O)COC1=O 62a_100000210614_100000032967 [0,1,0,1,0,0|1,0,1]=4 22336 B15R1.2178 CCC=CC(=O)N1CCCCCCCC1 11a_100000039187_100000212282 [0,1,0,1,0,0|2,0,0]=4 22337 B15R1.2178 CCC=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000212282 [0,1,0,1,0,0|2,0,0]=4 22338 B15R1.2178 CCC=CC(=O)N1CCCCCCCC1 240690a_100000039187_100000212282 [0,1,0,1,0,0|2,0,0]=4 22339 B15R1.2178 CCCCC(=O)N1CCCCCCCC1 11a_100000039187_100000210183 [0,1,0,1,0,0|2,0,0]=4 22340 B15R1.2178 CCCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210183 [0,1,0,1,0,0|2,0,0]=4 22341 B15R1.2178 CCCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210183 [0,1,0,1,0,0|2,0,0]=4 22342 B15R1.2178 CCCCC(=O)N1CCCCCCCC1 527a_100000039187_100000210183 [0,1,0,1,0,0|2,0,0]=4 22343 B15R1.2178 CCCNC(=O)N1CCCCCCCC1 2708a_100020643023_100000039187 [0,1,0,1,0,0|2,0,0]=4 22344 B15R1.2178 CCCNC(=O)N1CCCCCCCC1 273464a_100020643023_100000039187 [0,1,0,1,0,0|2,0,0]=4 22345 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 11a_100000039187_100000211967 [0,1,0,1,0,0|1,0,0]=3 22346 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 1626a_100000039187_100000211967 [0,1,0,1,0,0|1,0,0]=3 22347 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 240690a_100000039187_100000211967 [0,1,0,1,0,0|1,0,0]=3 22348 B15R1.2178 CCOCC(=O)N1CCCCCCCC1 527a_100000039187_100000211967 [0,1,0,1,0,0|1,0,0]=3 22349 B15R1.2178 CCSCC(=O)N1CCCCCCCC1 11a_100000039187_100000230394 [0,1,0,1,0,0|1,1,0]=4 22350 B15R1.2178 CCSCC(=O)N1CCCCCCCC1 1626a_100000039187_100000230394 [0,1,0,1,0,0|1,1,0]=4 22351 B15R1.2178 CCSCC(=O)N1CCCCCCCC1 240690a_100000039187_100000230394 [0,1,0,1,0,0|1,1,0]=4 22352 B15R1.2178 CCSCC(=O)N1CCCCCCCC1 527a_100000039187_100000230394 [0,1,0,1,0,0|1,1,0]=4 22353 B15R1.2178 COCCC(=O)N1CCCCCCCC1 11a_100000039187_100000749529 [0,1,0,1,0,0|2,0,0]=4 22354 B15R1.2178 COCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000749529 [0,1,0,1,0,0|2,0,0]=4 22355 B15R1.2178 COCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000749529 [0,1,0,1,0,0|2,0,0]=4 22356 B15R1.2178 COCCC(=O)N1CCCCCCCC1 527a_100000039187_100000749529 [0,1,0,1,0,0|2,0,0]=4 22357 B15R1.2178 CSCCC(=O)N1CCCCCCCC1 11a_100000039187_100000174002 [0,1,0,1,0,0|2,0,0]=4 22358 B15R1.2178 CSCCC(=O)N1CCCCCCCC1 1626a_100000039187_100000174002 [0,1,0,1,0,0|2,0,0]=4 22359 B15R1.2178 CSCCC(=O)N1CCCCCCCC1 240690a_100000039187_100000174002 [0,1,0,1,0,0|2,0,0]=4 22360 B15R1.2178 CSCCC(=O)N1CCCCCCCC1 527a_100000039187_100000174002 [0,1,0,1,0,0|2,0,0]=4 22361 B15R1.2178 O=C(NCCF)N1CCCCCCCC1 273464a_100000724931_100000039187 [0,1,0,1,0,0|2,0,0]=4 22362 B15R1.2178 O=C(NCCO)N1CCCCCCCC1 273464a_100000210304_100000039187 [0,1,0,1,0,0|2,0,0]=4 22363 B15R1.2207 C=C(CNC1CCCCCC1)OCOC 34a_100000210984_100000042856 [0,1,0,1,0,0|2,0,0]=4 22364 B15R1.2207 C=C(COC1CCCCCC1)OCOC 34a_100000210887_100000042856 [0,1,0,1,0,0|2,0,0]=4 22365 B15R1.2207 C=C(CSC1CCCCCC1)OCOC 62a_100000042856_100011217769 [0,1,0,1,0,0|2,0,0]=4 22366 B15R1.2207 C=C(CSC1CCCCCC1)OCOC 62a_100011217769_100000042856 [0,1,0,1,0,0|2,0,0]=4 22367 B15R1.2207 C=CCOC(=O)CNC1CCCCCC1 2230a_100000210984_100000033060 [0,1,0,1,0,0|1,0,1]=4 22368 B15R1.2207 C=CCOC(=O)CNC1CCCCCC1 34a_100000210984_100000033060 [0,1,0,1,0,0|1,0,1]=4 22369 B15R1.2207 C=CCOC(=O)COC1CCCCCC1 34a_100000210887_100000033060 [0,1,0,1,0,0|1,0,1]=4 22370 B15R1.2207 C=CCOC(=O)COC1CCCCCC1 7a_100000210887_100000033060 [0,1,0,1,0,0|1,0,1]=4 22371 B15R1.2207 C=CCOC(=O)CSC1CCCCCC1 62a_100000033060_100011217769 [0,1,0,1,0,0|1,0,1]=4 22372 B15R1.2207 C=CCOC(=O)CSC1CCCCCC1 62a_100011217769_100000033060 [0,1,0,1,0,0|1,0,1]=4 22373 B15R1.2207 CCC#CC(=O)CCN1CCCCCC1 1458a_100011827653_100000722644 [0,1,0,1,0,0|2,0,0]=4 22374 B15R1.2207 CCC=CC(=O)CCN1CCCCCC1 1458a_100000212282_100000722644 [0,1,0,1,0,0|2,0,0]=4 22375 B15R1.2207 CCC=CC(=O)NCC1CCCCCC1 11a_100015204231_100000212282 [0,1,0,1,0,0|2,0,0]=4 22376 B15R1.2207 CCC=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000212282 [0,1,0,1,0,0|2,0,0]=4 22377 B15R1.2207 CCC=CC(=O)NCC1CCCCCC1 240690a_100015204231_100000212282 [0,1,0,1,0,0|2,0,0]=4 22378 B15R1.2207 CCCCC(=O)CCN1CCCCCC1 1458a_100000210183_100000722644 [0,1,0,1,0,0|2,0,0]=4 22379 B15R1.2207 CCCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210211 [0,1,0,1,0,0|2,0,0]=4 22380 B15R1.2207 CCCCC(=O)NCC1CCCCCC1 11a_100015204231_100000210183 [0,1,0,1,0,0|2,0,0]=4 22381 B15R1.2207 CCCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210183 [0,1,0,1,0,0|2,0,0]=4 22382 B15R1.2207 CCCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210183 [0,1,0,1,0,0|2,0,0]=4 22383 B15R1.2207 CCCCC(=O)NCC1CCCCCC1 527a_100015204231_100000210183 [0,1,0,1,0,0|2,0,0]=4 22384 B15R1.2207 CCCNC(=O)CCN1CCCCCC1 240690a_100020643023_100000740320 [0,1,0,1,0,0|2,0,0]=4 22385 B15R1.2207 CCCNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183358 [0,1,0,1,0,0|2,0,0]=4 22386 B15R1.2207 CCCNC(=O)CNC1CCCCCC1 270004a_100000174927_100000210131 [0,1,0,1,0,0|2,0,0]=4 22387 B15R1.2207 CCCNC(=O)CNC1CCCCCC1 34a_100000210984_100000183358 [0,1,0,1,0,0|2,0,0]=4 22388 B15R1.2207 CCCNC(=O)COC1CCCCCC1 34a_100000210887_100000183358 [0,1,0,1,0,0|2,0,0]=4 22389 B15R1.2207 CCCNC(=O)COC1CCCCCC1 7a_100000210887_100000183358 [0,1,0,1,0,0|2,0,0]=4 22390 B15R1.2207 CCCNC(=O)CSC1CCCCCC1 62a_100000183358_100011217769 [0,1,0,1,0,0|2,0,0]=4 22391 B15R1.2207 CCCNC(=O)CSC1CCCCCC1 62a_100011217769_100000183358 [0,1,0,1,0,0|2,0,0]=4 22392 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 2708a_100015204231_100020643023 [0,1,0,1,0,0|2,0,0]=4 22393 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 2708a_100020643023_100015204231 [0,1,0,1,0,0|2,0,0]=4 22394 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 273464a_100015204231_100020643023 [0,1,0,1,0,0|2,0,0]=4 22395 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 273464a_100020643023_100015204231 [0,1,0,1,0,0|2,0,0]=4 22396 B15R1.2207 CCCNC(=O)NCC1CCCCCC1 512a_100020643023_100015204231 [0,1,0,1,0,0|2,0,0]=4 22397 B15R1.2207 CCCOC(=O)CNC1CCCCCC1 2230a_100000210984_200011215008 [0,1,0,1,0,0|1,0,0]=3 22398 B15R1.2207 CCCOC(=O)CNC1CCCCCC1 34a_100000210984_200011215008 [0,1,0,1,0,0|1,0,0]=3 22399 B15R1.2207 CCCOC(=O)COC1CCCCCC1 34a_100000210887_200011215008 [0,1,0,1,0,0|1,0,0]=3 22400 B15R1.2207 CCCOC(=O)COC1CCCCCC1 7a_100000210887_200011215008 [0,1,0,1,0,0|1,0,0]=3 22401 B15R1.2207 CCCOC(=O)CSC1CCCCCC1 62a_100011217769_200011215008 [0,1,0,1,0,0|1,0,0]=3 22402 B15R1.2207 CCCOC(=O)CSC1CCCCCC1 62a_200011215008_100011217769 [0,1,0,1,0,0|1,0,0]=3 22403 B15R1.2207 CCCOC(=O)OCN1CCCCCC1 269982a_100000185865_200000139673 [0,1,0,1,0,0|2,0,0]=4 22404 B15R1.2207 CCCOC(=O)OCN1CCCCCC1 34a_100000185865_200000139673 [0,1,0,1,0,0|2,0,0]=4 22405 B15R1.2207 CCNNC(=O)CCN1CCCCCC1 22a_100000756455_100000740320 [0,1,0,1,0,0|2,0,0]=4 22406 B15R1.2207 CCNNC(=O)NCC1CCCCCC1 273464a_100015204231_100000756455 [0,1,0,1,0,0|2,0,0]=4 22407 B15R1.2207 CCNNC(=O)NCC1CCCCCC1 512a_100000756455_100015204231 [0,1,0,1,0,0|2,0,0]=4 22408 B15R1.2207 CCOCC(=O)CCN1CCCCCC1 1458a_100000211967_100000722644 [0,1,0,1,0,0|1,0,0]=3 22409 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 11a_100015204231_100000211967 [0,1,0,1,0,0|1,0,0]=3 22410 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 1626a_100015204231_100000211967 [0,1,0,1,0,0|1,0,0]=3 22411 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 240690a_100015204231_100000211967 [0,1,0,1,0,0|1,0,0]=3 22412 B15R1.2207 CCOCC(=O)NCC1CCCCCC1 527a_100015204231_100000211967 [0,1,0,1,0,0|1,0,0]=3 22413 B15R1.2207 CCSCC(=O)CCN1CCCCCC1 1458a_100000230394_100000722644 [0,1,0,1,0,0|1,1,0]=4 22414 B15R1.2207 CCSCC(=O)NCC1CCCCCC1 11a_100015204231_100000230394 [0,1,0,1,0,0|1,1,0]=4 22415 B15R1.2207 CCSCC(=O)NCC1CCCCCC1 1626a_100015204231_100000230394 [0,1,0,1,0,0|1,1,0]=4 22416 B15R1.2207 CCSCC(=O)NCC1CCCCCC1 240690a_100015204231_100000230394 [0,1,0,1,0,0|1,1,0]=4 22417 B15R1.2207 CCSCC(=O)NCC1CCCCCC1 527a_100015204231_100000230394 [0,1,0,1,0,0|1,1,0]=4 22418 B15R1.2207 COCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000233755 [0,1,0,1,0,0|2,0,0]=4 22419 B15R1.2207 COCCC(=O)CCN1CCCCCC1 1458a_100000749529_100000722644 [0,1,0,1,0,0|2,0,0]=4 22420 B15R1.2207 COCCC(=O)NCC1CCCCCC1 11a_100015204231_100000749529 [0,1,0,1,0,0|2,0,0]=4 22421 B15R1.2207 COCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000749529 [0,1,0,1,0,0|2,0,0]=4 22422 B15R1.2207 COCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000749529 [0,1,0,1,0,0|2,0,0]=4 22423 B15R1.2207 COCCC(=O)NCC1CCCCCC1 527a_100015204231_100000749529 [0,1,0,1,0,0|2,0,0]=4 22424 B15R1.2207 CSCCC(=O)CCN1CCCCCC1 1458a_100000174002_100000722644 [0,1,0,1,0,0|2,0,0]=4 22425 B15R1.2207 CSCCC(=O)CCN1CCCCCC1 1458a_100000740320_100000751147 [0,1,0,1,0,0|2,0,0]=4 22426 B15R1.2207 CSCCC(=O)NCC1CCCCCC1 11a_100015204231_100000174002 [0,1,0,1,0,0|2,0,0]=4 22427 B15R1.2207 CSCCC(=O)NCC1CCCCCC1 1626a_100015204231_100000174002 [0,1,0,1,0,0|2,0,0]=4 22428 B15R1.2207 CSCCC(=O)NCC1CCCCCC1 240690a_100015204231_100000174002 [0,1,0,1,0,0|2,0,0]=4 22429 B15R1.2207 CSCCC(=O)NCC1CCCCCC1 527a_100015204231_100000174002 [0,1,0,1,0,0|2,0,0]=4 22430 B15R1.2207 O=C(CCCF)CCN1CCCCCC1 1458a_100000740320_100011934791 [0,1,0,1,0,0|2,0,0]=4 22431 B15R1.2207 O=C(CCCO)CCN1CCCCCC1 1458a_100000740320_100011215043 [0,1,0,1,0,0|2,0,0]=4 22432 B15R1.2207 O=C(CCN1CCCCCC1)NCCF 240690a_100000724931_100000740320 [0,1,0,1,0,0|2,0,0]=4 22433 B15R1.2207 O=C(CCN1CCCCCC1)NCCO 240690a_100000210304_100000740320 [0,1,0,1,0,0|2,0,0]=4 22434 B15R1.2207 O=C(CNC1CCCCCC1)NCCF 270004a_100000725713_100000210131 [0,1,0,1,0,0|2,0,0]=4 22435 B15R1.2207 O=C(NCCF)NCC1CCCCCC1 2708a_100015204231_100000724931 [0,1,0,1,0,0|2,0,0]=4 22436 B15R1.2207 O=C(NCCF)NCC1CCCCCC1 273464a_100000724931_100015204231 [0,1,0,1,0,0|2,0,0]=4 22437 B15R1.2207 O=C(NCCF)NCC1CCCCCC1 273464a_100015204231_100000724931 [0,1,0,1,0,0|2,0,0]=4 22438 B15R1.2207 O=C(NCCO)NCC1CCCCCC1 2708a_100015204231_100000210304 [0,1,0,1,0,0|2,0,0]=4 22439 B15R1.2207 O=C(NCCO)NCC1CCCCCC1 273464a_100000210304_100015204231 [0,1,0,1,0,0|2,0,0]=4 22440 B15R1.2207 O=C(NCCO)NCC1CCCCCC1 273464a_100015204231_100000210304 [0,1,0,1,0,0|2,0,0]=4 22441 B15R1.2230 CCCNC(=O)CCCOCCC1CC1 7a_100000754188_100011194427 [0,1,0,1,0,0|2,0,0]=4 22442 B15R1.2230 CCCNC(=O)CCCSCCC1CC1 62a_100000764125_100011194427 [0,1,0,1,0,0|2,0,0]=4 22443 B15R1.2230 CCCNC(=O)CCCSCCC1CC1 62a_100011194427_100000764125 [0,1,0,1,0,0|2,0,0]=4 22444 B15R1.2427 CCCOC(=O)CN1CCC[C@H]1COC 2230a_100020646714_200011215008 [0,1,0,1,0,0|2,0,0]=4 22445 B15R1.2427 CCCOC(=O)CN1CCC[C@H]1COC 269982a_100020646714_200011215008 [0,1,0,1,0,0|2,0,0]=4 22446 B15R1.2427 CCCOC(=O)CN1CCC[C@H]1COC 34a_100020646714_200011215008 [0,1,0,1,0,0|2,0,0]=4 22447 B15R1.2430 C=C(CN1CCCCCCC1)OCOC 269982a_100000211400_100000042856 [0,1,0,1,0,0|2,0,0]=4 22448 B15R1.2430 C=C(CN1CCCCCCC1)OCOC 34a_100000211400_100000042856 [0,1,0,1,0,0|2,0,0]=4 22449 B15R1.2430 C=CCOC(=O)CN1CCCCCCC1 2230a_100000211400_100000033060 [0,1,0,1,0,0|1,0,1]=4 22450 B15R1.2430 C=CCOC(=O)CN1CCCCCCC1 269982a_100000211400_100000033060 [0,1,0,1,0,0|1,0,1]=4 22451 B15R1.2430 C=CCOC(=O)CN1CCCCCCC1 34a_100000211400_100000033060 [0,1,0,1,0,0|1,0,1]=4 22452 B15R1.2430 CCC=CC(=O)NC1CCCCCCC1 11a_100000211152_100000212282 [0,1,0,1,0,0|2,0,0]=4 22453 B15R1.2430 CCC=CC(=O)NC1CCCCCCC1 1626a_100000211152_100000212282 [0,1,0,1,0,0|2,0,0]=4 22454 B15R1.2430 CCC=CC(=O)NC1CCCCCCC1 240690a_100000211152_100000212282 [0,1,0,1,0,0|2,0,0]=4 22455 B15R1.2430 CCCCC(=O)NC1CCCCCCC1 11a_100000211152_100000210183 [0,1,0,1,0,0|2,0,0]=4 22456 B15R1.2430 CCCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000210183 [0,1,0,1,0,0|2,0,0]=4 22457 B15R1.2430 CCCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000210183 [0,1,0,1,0,0|2,0,0]=4 22458 B15R1.2430 CCCCC(=O)NC1CCCCCCC1 527a_100000211152_100000210183 [0,1,0,1,0,0|2,0,0]=4 22459 B15R1.2430 CCCNC(=O)CN1CCCCCCC1 2230a_100000211400_100000183358 [0,1,0,1,0,0|2,0,0]=4 22460 B15R1.2430 CCCNC(=O)CN1CCCCCCC1 269982a_100000211400_100000183358 [0,1,0,1,0,0|2,0,0]=4 22461 B15R1.2430 CCCNC(=O)CN1CCCCCCC1 34a_100000211400_100000183358 [0,1,0,1,0,0|2,0,0]=4 22462 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 2708a_100000211152_100020643023 [0,1,0,1,0,0|2,0,0]=4 22463 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 2708a_100020643023_100000211152 [0,1,0,1,0,0|2,0,0]=4 22464 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 273464a_100000211152_100020643023 [0,1,0,1,0,0|2,0,0]=4 22465 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 273464a_100020643023_100000211152 [0,1,0,1,0,0|2,0,0]=4 22466 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 512a_100000211152_100020643023 [0,1,0,1,0,0|2,0,0]=4 22467 B15R1.2430 CCCNC(=O)NC1CCCCCCC1 512a_100020643023_100000211152 [0,1,0,1,0,0|2,0,0]=4 22468 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 2230a_100000211400_200011215008 [0,1,0,1,0,0|1,0,0]=3 22469 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 269982a_100000211400_200011215008 [0,1,0,1,0,0|1,0,0]=3 22470 B15R1.2430 CCCOC(=O)CN1CCCCCCC1 34a_100000211400_200011215008 [0,1,0,1,0,0|1,0,0]=3 22471 B15R1.2430 CCNCC(=O)NC1CCCCCCC1 2230a_100015525214_100000183010 [0,1,0,1,0,0|2,0,0]=4 22472 B15R1.2430 CCNNC(=O)NC1CCCCCCC1 273464a_100000211152_100000756455 [0,1,0,1,0,0|2,0,0]=4 22473 B15R1.2430 CCNNC(=O)NC1CCCCCCC1 512a_100000211152_100000756455 [0,1,0,1,0,0|2,0,0]=4 22474 B15R1.2430 CCNNC(=O)NC1CCCCCCC1 512a_100000756455_100000211152 [0,1,0,1,0,0|2,0,0]=4 22475 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 11a_100000211152_100000211967 [0,1,0,1,0,0|1,0,0]=3 22476 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 1626a_100000211152_100000211967 [0,1,0,1,0,0|1,0,0]=3 22477 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 240690a_100000211152_100000211967 [0,1,0,1,0,0|1,0,0]=3 22478 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 34a_100121572206_100000183010 [0,1,0,1,0,0|1,0,0]=3 22479 B15R1.2430 CCOCC(=O)NC1CCCCCCC1 527a_100000211152_100000211967 [0,1,0,1,0,0|1,0,0]=3 22480 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 11a_100000211152_100000230394 [0,1,0,1,0,0|1,1,0]=4 22481 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 1626a_100000211152_100000230394 [0,1,0,1,0,0|1,1,0]=4 22482 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 240690a_100000211152_100000230394 [0,1,0,1,0,0|1,1,0]=4 22483 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 527a_100000211152_100000230394 [0,1,0,1,0,0|1,1,0]=4 22484 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 62a_100000183010_100000210202 [0,1,0,1,0,0|1,1,0]=4 22485 B15R1.2430 CCSCC(=O)NC1CCCCCCC1 62a_100000210202_100000183010 [0,1,0,1,0,0|1,1,0]=4 22486 B15R1.2430 COCCC(=O)NC1CCCCCCC1 11a_100000211152_100000749529 [0,1,0,1,0,0|2,0,0]=4 22487 B15R1.2430 COCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000749529 [0,1,0,1,0,0|2,0,0]=4 22488 B15R1.2430 COCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000749529 [0,1,0,1,0,0|2,0,0]=4 22489 B15R1.2430 COCCC(=O)NC1CCCCCCC1 527a_100000211152_100000749529 [0,1,0,1,0,0|2,0,0]=4 22490 B15R1.2430 CSCCC(=O)NC1CCCCCCC1 11a_100000211152_100000174002 [0,1,0,1,0,0|2,0,0]=4 22491 B15R1.2430 CSCCC(=O)NC1CCCCCCC1 1626a_100000211152_100000174002 [0,1,0,1,0,0|2,0,0]=4 22492 B15R1.2430 CSCCC(=O)NC1CCCCCCC1 240690a_100000211152_100000174002 [0,1,0,1,0,0|2,0,0]=4 22493 B15R1.2430 CSCCC(=O)NC1CCCCCCC1 527a_100000211152_100000174002 [0,1,0,1,0,0|2,0,0]=4 22494 B15R1.2430 O=C(NCCF)NC1CCCCCCC1 2708a_100000211152_100000724931 [0,1,0,1,0,0|2,0,0]=4 22495 B15R1.2430 O=C(NCCF)NC1CCCCCCC1 273464a_100000211152_100000724931 [0,1,0,1,0,0|2,0,0]=4 22496 B15R1.2430 O=C(NCCF)NC1CCCCCCC1 273464a_100000724931_100000211152 [0,1,0,1,0,0|2,0,0]=4 22497 B15R1.2430 O=C(NCCF)NC1CCCCCCC1 512a_100000211152_100000724931 [0,1,0,1,0,0|2,0,0]=4 22498 B15R1.2430 O=C(NCCO)NC1CCCCCCC1 2708a_100000211152_100000210304 [0,1,0,1,0,0|2,0,0]=4 22499 B15R1.2430 O=C(NCCO)NC1CCCCCCC1 273464a_100000210304_100000211152 [0,1,0,1,0,0|2,0,0]=4 22500 B15R1.2430 O=C(NCCO)NC1CCCCCCC1 273464a_100000211152_100000210304 [0,1,0,1,0,0|2,0,0]=4 22501 B15R1.2430 O=C(NCCO)NC1CCCCCCC1 512a_100000211152_100000210304 [0,1,0,1,0,0|2,0,0]=4 22502 B15R1.5925 C=C(CN1CCCCC1CC)OCOC 269982a_100000210034_100000042856 [0,1,0,1,0,0|2,0,0]=4 22503 B15R1.5925 C=C(CN1CCCCC1CC)OCOC 34a_100000210034_100000042856 [0,1,0,1,0,0|2,0,0]=4 22504 B15R1.5925 C=CCOC(=O)CN1CCCCC1CC 2230a_100000210034_100000033060 [0,1,0,1,0,0|1,0,1]=4 22505 B15R1.5925 C=CCOC(=O)CN1CCCCC1CC 269982a_100000210034_100000033060 [0,1,0,1,0,0|1,0,1]=4 22506 B15R1.5925 C=CCOC(=O)CN1CCCCC1CC 34a_100000210034_100000033060 [0,1,0,1,0,0|1,0,1]=4 22507 B15R1.5925 CCCNC(=O)CN1CCCCC1CC 2230a_100000210034_100000183358 [0,1,0,1,0,0|2,0,0]=4 22508 B15R1.5925 CCCNC(=O)CN1CCCCC1CC 269982a_100000210034_100000183358 [0,1,0,1,0,0|2,0,0]=4 22509 B15R1.5925 CCCNC(=O)CN1CCCCC1CC 34a_100000210034_100000183358 [0,1,0,1,0,0|2,0,0]=4 22510 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 2230a_100000210034_200011215008 [0,1,0,1,0,0|1,0,0]=3 22511 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 269982a_100000210034_200011215008 [0,1,0,1,0,0|1,0,0]=3 22512 B15R1.5925 CCCOC(=O)CN1CCCCC1CC 34a_100000210034_200011215008 [0,1,0,1,0,0|1,0,0]=3 22513 B15R1.5925 CCCOC(=O)CN1CCCCC1CO 2230a_100000210821_200011215008 [0,1,0,1,0,0|2,0,0]=4 22514 B15R1.5925 CCCOC(=O)CN1CCCCC1CO 269982a_100000210821_200011215008 [0,1,0,1,0,0|2,0,0]=4 22515 B15R1.5925 CCCOC(=O)CN1CCCCC1CO 34a_100000210821_200011215008 [0,1,0,1,0,0|2,0,0]=4 22516 B15R1.5925 CCCOC(=O)CN1CCOC[C@@H]1CC 2230a_100016988097_200011215008 [0,1,0,1,0,0|2,0,0]=4 22517 B15R1.5925 CCCOC(=O)CN1CCOC[C@@H]1CC 269982a_100016988097_200011215008 [0,1,0,1,0,0|2,0,0]=4 22518 B15R1.5925 CCCOC(=O)CN1CCOC[C@@H]1CC 34a_100016988097_200011215008 [0,1,0,1,0,0|2,0,0]=4 22519 B15R1.5925 CCOCC(=O)NC1CCCCC1OC 11a_100011208099_100000211967 [0,1,0,1,0,0|2,0,0]=4 22520 B15R1.5925 CCOCC(=O)NC1CCCCC1OC 1626a_100011208099_100000211967 [0,1,0,1,0,0|2,0,0]=4 22521 B15R1.5925 CCOCC(=O)NC1CCCCC1OC 240690a_100011208099_100000211967 [0,1,0,1,0,0|2,0,0]=4 22522 B15R1.5925 CCOCC(=O)NC1CCCCC1OC 527a_100011208099_100000211967 [0,1,0,1,0,0|2,0,0]=4 22523 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210314 [0,1,0,1,0,0|2,0,0]=4 22524 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210757 [0,1,0,1,0,0|2,0,0]=4 22525 B15R1.6379 CCCCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210314 [0,1,0,1,0,0|2,0,0]=4 22526 B15R1.129 CCCCCC(=O)CN1CCOC(=O)C1 2230a_100000131268_200012276598 [0,1,0,1,0,0|1,0,1]=4 22527 B15R1.129 CCCCCC(C)NC1CCNC(=O)C1 2230a_100016994916_200011218191 [0,1,0,1,0,0|2,0,0]=4 22528 B15R1.129 CCCCCC(C)NC1CCNC(=O)C1 34a_100016994916_200011218191 [0,1,0,1,0,0|2,0,0]=4 22529 B15R1.129 CCCCCC(C)OC1CCCC(=O)C1 34a_100012613340_200011218191 [0,1,0,1,0,0|2,0,0]=4 22530 B15R1.129 CCCCCC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_200011218191 [0,1,0,1,0,0|2,0,0]=4 22531 B15R1.794 CCNC(=O)CCCC(=O)C1CCCC1 1458a_100000199580_100000179811 [0,1,0,1,0,0|1,0,1]=4 22532 B15R1.794 CCNC(=O)CCNC(C)C1CCCC1 2230a_100015185923_100000737597 [0,1,0,1,0,0|2,0,0]=4 22533 B15R1.794 CCNC(=O)CCNC(C)C1CCCC1 269862a_100025743525_100000749594 [0,1,0,1,0,0|2,0,0]=4 22534 B15R1.794 CCNC(=O)CCNC(C)C1CCCC1 270004a_100025743525_100000749594 [0,1,0,1,0,0|2,0,0]=4 22535 B15R1.794 CCNC(=O)CCOC(C)C1CCCC1 7a_100011216366_100000737597 [0,1,0,1,0,0|2,0,0]=4 22536 B15R1.794 CCOC(=O)CCCC(=O)C1CCCC1 1458a_100000210718_100011215271 [0,1,0,1,0,0|0,0,1]=3 22537 B15R1.794 CCOC(=O)CCCC(=O)C1CCCC1 1458a_100000210991_100000179811 [0,1,0,1,0,0|0,0,1]=3 22538 B15R1.794 CCOC(=O)CCCC(=O)C1CCCS1 1458a_100012002731_100011215271 [0,1,0,1,0,0|1,0,1]=4 22539 B15R1.794 CCOC(=O)CCCC(=O)C1CCOC1 1458a_100000210991_100000690089 [0,1,0,1,0,0|1,0,1]=4 22540 B15R1.794 CCOC(=O)CCCC(=O)C1CCOC1 1458a_100011219752_100011215271 [0,1,0,1,0,0|1,0,1]=4 22541 B15R1.794 CCOC(=O)CCCC(=O)N1CCCC1 240690a_100000188435_100000210991 [0,1,0,1,0,0|1,0,1]=4 22542 B15R1.794 CCOC(=O)CCCC(=O)N1CCCC1 527a_100000188435_100000210991 [0,1,0,1,0,0|1,0,1]=4 22543 B15R1.794 CCOC(=O)CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215271 [0,1,0,1,0,0|1,0,1]=4 22544 B15R1.794 CCOC(=O)CCCN(C)C1CCCC1 2230a_100000207505_100009991533 [0,1,0,1,0,0|1,0,0]=3 22545 B15R1.794 CCOC(=O)CCCN(C)C1CCCC1 269982a_100000207505_100009991533 [0,1,0,1,0,0|1,0,0]=3 22546 B15R1.794 CCOC(=O)CCCN(C)C1CCCC1 34a_100000207505_100009991533 [0,1,0,1,0,0|1,0,0]=3 22547 B15R1.794 CCOC(=O)CCCN(C)C1CCOC1 2230a_100016988252_100009991533 [0,1,0,1,0,0|2,0,0]=4 22548 B15R1.794 CCOC(=O)CCCN(C)C1CCOC1 269982a_100016988252_100009991533 [0,1,0,1,0,0|2,0,0]=4 22549 B15R1.794 CCOC(=O)CCCN(C)C1CCOC1 34a_100016988252_100009991533 [0,1,0,1,0,0|2,0,0]=4 22550 B15R1.794 CCOC(=O)CCNC(=O)C1CCCC1 188690a_100000746078_100000210718 [0,1,0,1,0,0|1,0,1]=4 22551 B15R1.794 CCOC(=O)CCNC(C)C1CCCC1 2230a_100015185923_100011206558 [0,1,0,1,0,0|1,0,0]=3 22552 B15R1.794 CCOC(=O)CCNC(C)C1CCCC1 34a_100015185923_100000765890 [0,1,0,1,0,0|1,0,0]=3 22553 B15R1.794 CCOC(=O)CCNC(C)C1CCCO1 2230a_100025754208_100011206558 [0,1,0,1,0,0|2,0,0]=4 22554 B15R1.794 CCOC(=O)CCNC(C)C1CCCO1 34a_100025754208_100000765890 [0,1,0,1,0,0|2,0,0]=4 22555 B15R1.794 CCOC(=O)CCOC(C)C1CCCC1 34a_100011216366_100000765890 [0,1,0,1,0,0|1,0,0]=3 22556 B15R1.794 CCOC(=O)CCOC(C)C1CCCC1 7a_100011216366_100011206558 [0,1,0,1,0,0|1,0,0]=3 22557 B15R1.794 CCOC(=O)CSCC(C)N1CCCC1 62a_100000188475_200015187269 [0,1,0,1,0,0|2,0,0]=4 22558 B15R1.794 CCOC(=O)CSCC(C)N1CCCC1 62a_200015187269_100000188475 [0,1,0,1,0,0|2,0,0]=4 22559 B15R1.794 CCOC(=O)NCCC(=O)C1CCCC1 1458a_100000210718_200011445536 [0,1,0,1,0,0|1,0,1]=4 22560 B15R1.794 CCOC(=O)NCCN(C)C1CCCC1 269982a_100000207505_200011445536 [0,1,0,1,0,0|2,0,0]=4 22561 B15R1.1378 CCCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000210326 [0,1,0,1,0,0|0,0,1]=3 22562 B15R1.1378 CCCCCC(=O)CCN1CCOC1=O 1458a_100000744634_100000210326 [0,1,0,1,0,0|1,0,1]=4 22563 B15R1.1378 CCCCCC(=O)CSC1CCOC1=O 62a_100000211211_200012276598 [0,1,0,1,0,0|1,0,1]=4 22564 B15R1.1378 CCCCCC(=O)CSC1CCOC1=O 62a_200012276598_100000211211 [0,1,0,1,0,0|1,0,1]=4 22565 B15R1.1378 CCCCCC(C)OCC1CCNC1=O 34a_100000133458_200011218191 [0,1,0,1,0,0|2,0,0]=4 22566 B15R1.1378 CCCCNC(=O)CCC1CCOC1=O 11a_100000102301_100000117037 [0,1,0,1,0,0|1,0,1]=4 22567 B15R1.1378 CCCCNC(=O)CCC1CCOC1=O 1626a_100000102301_100000117037 [0,1,0,1,0,0|1,0,1]=4 22568 B15R1.1378 CCCCNC(=O)CCC1CCOC1=O 240690a_100000102301_100000117037 [0,1,0,1,0,0|1,0,1]=4 22569 B15R1.1378 CCCCNC(=O)CCC1CCOC1=O 527a_100000102301_100000117037 [0,1,0,1,0,0|1,0,1]=4 22570 B15R1.1378 CCOCCC(=O)CCC1CCOC1=O 1458a_100000117037_100011215890 [0,1,0,1,0,0|1,0,1]=4 22571 B15R1.1378 CCSCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000757381 [0,1,0,1,0,0|1,0,1]=4 22572 B15R1.1378 COCCCC(=O)CCC1CCOC1=O 1458a_100000117037_100000740836 [0,1,0,1,0,0|1,0,1]=4 22573 B15R1.1378 NCCCC[C@H](N)COC1CCOC1=O 34a_100016993712_100000211211 [0,1,0,1,0,0|2,0,0]=4 22574 B15R1.1378 O=C(CCCCF)CCC1CCOC1=O 1458a_100000117037_100000729493 [0,1,0,1,0,0|1,0,1]=4 22575 B15R1.1378 O=C(CCCCO)CCC1CCOC1=O 1458a_100000117037_100000210776 [0,1,0,1,0,0|1,0,1]=4 22576 B15R1.3248 CCCCCC(C)N1CCNC(=O)CC1 2230a_100000698595_200011218191 [0,1,0,1,0,0|2,0,0]=4 22577 B15R1.3248 CCCCCC(C)N1CCNC(=O)CC1 269982a_100000698595_200011218191 [0,1,0,1,0,0|2,0,0]=4 22578 B15R1.3248 CCCCCC(C)N1CCNC(=O)CC1 270004a_100000698595_100000211708 [0,1,0,1,0,0|2,0,0]=4 22579 B15R1.3315 CCCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100000210326 [0,1,0,1,0,0|0,0,1]=3 22580 B15R1.3315 CCCCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 11a_100000102301_100009818562 [0,1,0,1,0,0|1,0,1]=4 22581 B15R1.3315 CCCCNC(=O)[C@@H]1C[C@H]1C(=O)OCC 240690a_100000102301_100009818562 [0,1,0,1,0,0|1,0,1]=4 22582 B15R1.3315 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCCF 1458a_100009818562_100000729493 [0,1,0,1,0,0|1,0,1]=4 22583 B15R1.3315 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCCO 1458a_100009818562_100000210776 [0,1,0,1,0,0|1,0,1]=4 22584 B15R1.3315 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCCOC 1458a_100009818562_100000740836 [0,1,0,1,0,0|1,0,1]=4 22585 B15R1.3315 CCOC(=O)[C@@H]1C[C@H]1C(=O)CCSCC 1458a_100009818562_100000757381 [0,1,0,1,0,0|1,0,1]=4 22586 B15R1.3315 CCOCCC(=O)[C@@H]1C[C@H]1C(=O)OCC 1458a_100009818562_100011215890 [0,1,0,1,0,0|1,0,1]=4 22587 B15R1.10433 CCOC(=O)CCCC(=O)C1CC1CC 1458a_200011661523_100011215271 [0,1,0,1,0,0|0,0,1]=3 22588 B15R1.10433 CCOC(=O)CCNC(=O)C1CC1CC 188690a_100000746078_200011661523 [0,1,0,1,0,0|1,0,1]=4 22589 B15R1.10433 CCOC(=O)NCCC(=O)C1CC1CC 1458a_200011661523_200011445536 [0,1,0,1,0,0|1,0,1]=4 22590 B15R1.10435 CCNC(=O)CCCC(=O)CC1CCC1 1458a_100000199580_100000763275 [0,1,0,1,0,0|1,0,1]=4 22591 B15R1.10435 CCOC(=O)CCCC(=O)CC1CCC1 1458a_100000210991_100000763275 [0,1,0,1,0,0|0,0,1]=3 22592 B15R1.10435 CCOC(=O)CCCC(=O)CC1CCC1 1458a_100000763092_100011215271 [0,1,0,1,0,0|0,0,1]=3 22593 B15R1.10435 CCOC(=O)CCCC(=O)CC1CCO1 1458a_100000210991_100000103362 [0,1,0,1,0,0|1,0,1]=4 22594 B15R1.10435 CCOC(=O)CCCC(=O)CC1COC1 1458a_100000210991_100010264016 [0,1,0,1,0,0|1,0,1]=4 22595 B15R1.10435 CCOC(=O)CCCC(=O)CC1COC1 1458a_100000687760_100011215271 [0,1,0,1,0,0|1,0,1]=4 22596 B15R1.10435 CCOC(=O)CCCC(=O)NC1CCC1 11a_100000749019_100000210991 [0,1,0,1,0,0|1,0,1]=4 22597 B15R1.10435 CCOC(=O)CCCC(=O)NC1CCC1 1626a_100000749019_100000210991 [0,1,0,1,0,0|1,0,1]=4 22598 B15R1.10435 CCOC(=O)CCCC(=O)NC1CCC1 240690a_100000749019_100000210991 [0,1,0,1,0,0|1,0,1]=4 22599 B15R1.10435 CCOC(=O)CCCC(=O)NC1CCC1 527a_100000749019_100000210991 [0,1,0,1,0,0|1,0,1]=4 22600 B15R1.10435 CCOC(=O)CCCN(C)CC1CCC1 2230a_200000750244_100009991533 [0,1,0,1,0,0|1,0,0]=3 22601 B15R1.10435 CCOC(=O)CCCN(C)CC1CCC1 269982a_200000750244_100009991533 [0,1,0,1,0,0|1,0,0]=3 22602 B15R1.10435 CCOC(=O)CCCN(C)CC1CCC1 34a_200000750244_100009991533 [0,1,0,1,0,0|1,0,0]=3 22603 B15R1.10435 CCOC(=O)CCNC(=O)CC1CCC1 188690a_100000746078_100000763092 [0,1,0,1,0,0|1,0,1]=4 22604 B15R1.10435 CCOC(=O)NCCC(=O)CC1CCC1 1458a_100000763092_200011445536 [0,1,0,1,0,0|1,0,1]=4 22605 B15R1.10435 CCOC(=O)NCCN(C)CC1CCC1 269982a_200000750244_200011445536 [0,1,0,1,0,0|2,0,0]=4 22606 B15R1.10436 CCNC(=O)CCCC(=O)CCC1CC1 1458a_100000199580_100000694398 [0,1,0,1,0,0|1,0,1]=4 22607 B15R1.10436 CCOC(=O)CCCC(=O)CCC1CC1 1458a_100000210991_100000694398 [0,1,0,1,0,0|0,0,1]=3 22608 B15R1.10436 CCOC(=O)CCCC(=O)CCC1CC1 1458a_100000756386_100011215271 [0,1,0,1,0,0|0,0,1]=3 22609 B15R1.10436 CCOC(=O)CCCC(=O)CCC1CO1 1458a_100000210991_100000732470 [0,1,0,1,0,0|1,0,1]=4 22610 B15R1.10436 CCOC(=O)CCCC(=O)NCC1CC1 11a_100000735609_100000210991 [0,1,0,1,0,0|1,0,1]=4 22611 B15R1.10436 CCOC(=O)CCCC(=O)NCC1CC1 1626a_100000735609_100000210991 [0,1,0,1,0,0|1,0,1]=4 22612 B15R1.10436 CCOC(=O)CCCC(=O)NCC1CC1 240690a_100000735609_100000210991 [0,1,0,1,0,0|1,0,1]=4 22613 B15R1.10436 CCOC(=O)CCCC(=O)NCC1CC1 527a_100000735609_100000210991 [0,1,0,1,0,0|1,0,1]=4 22614 B15R1.10436 CCOC(=O)CCNC(=O)CCC1CC1 188690a_100000746078_100000756386 [0,1,0,1,0,0|1,0,1]=4 22615 B15R1.10436 CCOC(=O)NCCC(=O)CCC1CC1 1458a_100000756386_200011445536 [0,1,0,1,0,0|1,0,1]=4 22616 B15R1.10437 CCOC(=O)CCCC(=O)N1CCC1C 11a_100000755817_100000210991 [0,1,0,1,0,0|1,0,1]=4 22617 B15R1.10437 CCOC(=O)CCCC(=O)N1CCC1C 240690a_100000755817_100000210991 [0,1,0,1,0,0|1,0,1]=4 22618 B15R1.10437 CCOC(=O)CCCC(=O)N1CCC1C 527a_100000755817_100000210991 [0,1,0,1,0,0|1,0,1]=4 22619 B15R1.36731 CCCC(=O)COC1C(CCCC1C)C 7a_100011218088_100000747444 [0,1,0,1,0,0|2,0,0]=4 22620 B15R1.36731 CCNC(=O)CCN1C(CCCC1C)C 2230a_100000210447_100000737597 [0,1,0,1,0,0|2,0,0]=4 22621 B15R1.36731 CCNC(=O)CCN1C(CCCC1C)C 240690a_100015525214_100046098707 [0,1,0,1,0,0|2,0,0]=4 22622 B15R1.36731 CCNC(=O)CCN1C(CCCC1C)C 269982a_100000210447_100000737597 [0,1,0,1,0,0|2,0,0]=4 22623 B15R1.36731 CCNC(=O)COC1C(CCCC1C)C 34a_100011218088_100000183381 [0,1,0,1,0,0|2,0,0]=4 22624 B15R1.36731 CCNC(=O)COC1C(CCCC1C)C 7a_100011218088_100000183381 [0,1,0,1,0,0|2,0,0]=4 22625 B15R1.36731 CCOC(=O)CCN1C(CCCC1C)C 2230a_100000210447_100011206558 [0,1,0,1,0,0|1,0,0]=3 22626 B15R1.36731 CCOC(=O)CCN1C(CCCC1C)C 269982a_100000210447_100011206558 [0,1,0,1,0,0|1,0,0]=3 22627 B15R1.36731 CCOC(=O)CCN1C(CCCC1C)C 34a_100000210447_100000765890 [0,1,0,1,0,0|1,0,0]=3 22628 B15R1.36731 CCOC(=O)CCN1[C@@H](COC[C@@H]1C)C 2230a_100103153222_100011206558 [0,1,0,1,0,0|2,0,0]=4 22629 B15R1.36731 CCOC(=O)CCN1[C@@H](COC[C@@H]1C)C 269982a_100103153222_100011206558 [0,1,0,1,0,0|2,0,0]=4 22630 B15R1.36731 CCOC(=O)CCN1[C@@H](COC[C@@H]1C)C 34a_100103153222_100000765890 [0,1,0,1,0,0|2,0,0]=4 22631 B15R1.36731 CCOC(=O)COC1C(CCCC1C)C 34a_100011218088_100000188475 [0,1,0,1,0,0|1,0,0]=3 22632 B15R1.36731 CCOC(=O)COC1C(CCCC1C)C 7a_100011218088_100000188475 [0,1,0,1,0,0|1,0,0]=3 22633 B15R1.45797 CCCC(=O)CNCC1(CCCCC1)C 2230a_100000706052_100000747444 [0,1,0,1,0,0|2,0,0]=4 22634 B15R1.45797 CCCC(=O)CNCC1(CCCCC1)O 2230a_100000748649_100000747444 [0,1,0,1,0,0|2,0,0]=4 22635 B15R1.45797 CCCC(=O)COCC1(CCCCC1)C 7a_100000688186_100000747444 [0,1,0,1,0,0|2,0,0]=4 22636 B15R1.45797 CCCC(=O)COCC1(CCCCC1)F 7a_100000090305_100000747444 [0,1,0,1,0,0|2,0,0]=4 22637 B15R1.45797 CCCC(=O)NCCC1(CCCCC1)O 11a_100102740465_100000211992 [0,1,0,1,0,0|2,0,0]=4 22638 B15R1.45797 CCCC(=O)NCCC1(CCCCC1)O 1626a_100102740465_100000211992 [0,1,0,1,0,0|2,0,0]=4 22639 B15R1.45797 CCCC(=O)NCCC1(CCCCC1)O 240690a_100102740465_100000211992 [0,1,0,1,0,0|2,0,0]=4 22640 B15R1.45797 CCCC(=O)NCCC1(CCCCC1)O 527a_100102740465_100000211992 [0,1,0,1,0,0|2,0,0]=4 22641 B15R1.45797 CCNC(=O)CCNC1(CCCCC1)C 2230a_100000741114_100000737597 [0,1,0,1,0,0|2,0,0]=4 22642 B15R1.45797 CCNC(=O)CCOC1(CCCCC1)C 7a_100011215885_100000737597 [0,1,0,1,0,0|2,0,0]=4 22643 B15R1.45797 CCNC(=O)CNCC1(CCCCC1)C 2230a_100000706052_100000183381 [0,1,0,1,0,0|2,0,0]=4 22644 B15R1.45797 CCNC(=O)CNCC1(CCCCC1)C 34a_100000706052_100000183381 [0,1,0,1,0,0|2,0,0]=4 22645 B15R1.45797 CCNC(=O)CNCC1(CCCCC1)O 2230a_100000748649_100000183381 [0,1,0,1,0,0|2,0,0]=4 22646 B15R1.45797 CCNC(=O)CNCC1(CCCCC1)O 34a_100000748649_100000183381 [0,1,0,1,0,0|2,0,0]=4 22647 B15R1.45797 CCNC(=O)COCC1(CCCCC1)C 34a_100000688186_100000183381 [0,1,0,1,0,0|2,0,0]=4 22648 B15R1.45797 CCNC(=O)COCC1(CCCCC1)C 7a_100000688186_100000183381 [0,1,0,1,0,0|2,0,0]=4 22649 B15R1.45797 CCNC(=O)COCC1(CCCCC1)F 34a_100000090305_100000183381 [0,1,0,1,0,0|2,0,0]=4 22650 B15R1.45797 CCNC(=O)COCC1(CCCCC1)F 7a_100000090305_100000183381 [0,1,0,1,0,0|2,0,0]=4 22651 B15R1.45797 CCNC(=O)COCC1(CCCCC1)N 34a_100000740034_100000183381 [0,1,0,1,0,0|2,0,0]=4 22652 B15R1.45797 CCNC(=O)NCCC1(CCCCC1)O 2708a_100015525214_100102740465 [0,1,0,1,0,0|2,0,0]=4 22653 B15R1.45797 CCNC(=O)NCCC1(CCCCC1)O 273464a_100015525214_100102740465 [0,1,0,1,0,0|2,0,0]=4 22654 B15R1.45797 CCNC(=O)NCCC1(CCCCC1)O 512a_100015525214_100102740465 [0,1,0,1,0,0|2,0,0]=4 22655 B15R1.45797 CCNC(=O)NCCC1(CCCCC1)O 512a_100102740465_100015525214 [0,1,0,1,0,0|2,0,0]=4 22656 B15R1.45797 CCOC(=O)CCNC1(CCCCC1)C 2230a_100000741114_100011206558 [0,1,0,1,0,0|1,0,0]=3 22657 B15R1.45797 CCOC(=O)CCNC1(CCCCC1)C 34a_100000741114_100000765890 [0,1,0,1,0,0|1,0,0]=3 22658 B15R1.45797 CCOC(=O)CCNC1(CCOCC1)C 2230a_100000692449_100011206558 [0,1,0,1,0,0|2,0,0]=4 22659 B15R1.45797 CCOC(=O)CCNC1(CCOCC1)C 34a_100000692449_100000765890 [0,1,0,1,0,0|2,0,0]=4 22660 B15R1.45797 CCOC(=O)CCOC1(CCCCC1)C 34a_100011215885_100000765890 [0,1,0,1,0,0|1,0,0]=3 22661 B15R1.45797 CCOC(=O)CCOC1(CCCCC1)C 7a_100011215885_100011206558 [0,1,0,1,0,0|1,0,0]=3 22662 B15R1.45797 CCOC(=O)CCOC1(CCOCC1)C 34a_100011827762_100000765890 [0,1,0,1,0,0|2,0,0]=4 22663 B15R1.45797 CCOC(=O)CCOC1(CCOCC1)C 7a_100011827762_100011206558 [0,1,0,1,0,0|2,0,0]=4 22664 B15R1.45797 CCOC(=O)CCOC1(CCSCC1)C 34a_200011004327_100000765890 [0,1,0,1,0,0|2,0,0]=4 22665 B15R1.45797 CCOC(=O)CCOC1(CCSCC1)C 7a_200011004327_100011206558 [0,1,0,1,0,0|2,0,0]=4 22666 B15R1.45797 CCOC(=O)CNCC1(CCCCC1)C 2230a_100000706052_100000188475 [0,1,0,1,0,0|1,0,0]=3 22667 B15R1.45797 CCOC(=O)CNCC1(CCCCC1)C 34a_100000706052_100000188475 [0,1,0,1,0,0|1,0,0]=3 22668 B15R1.45797 CCOC(=O)CNCC1(CCCCC1)O 2230a_100000748649_100000188475 [0,1,0,1,0,0|1,0,0]=3 22669 B15R1.45797 CCOC(=O)CNCC1(CCCCC1)O 34a_100000748649_100000188475 [0,1,0,1,0,0|1,0,0]=3 22670 B15R1.45797 CCOC(=O)CNCC1(CCOCC1)C 2230a_100000695556_100000188475 [0,1,0,1,0,0|2,0,0]=4 22671 B15R1.45797 CCOC(=O)CNCC1(CCOCC1)C 34a_100000695556_100000188475 [0,1,0,1,0,0|2,0,0]=4 22672 B15R1.45797 CCOC(=O)CNCC1(CCOCC1)F 2230a_100016991512_100000188475 [0,1,0,1,0,0|2,0,0]=4 22673 B15R1.45797 CCOC(=O)CNCC1(CCOCC1)F 34a_100016991512_100000188475 [0,1,0,1,0,0|2,0,0]=4 22674 B15R1.45797 CCOC(=O)CNCC1(CCOCC1)O 2230a_100000704115_100000188475 [0,1,0,1,0,0|2,0,0]=4 22675 B15R1.45797 CCOC(=O)CNCC1(CCOCC1)O 34a_100000704115_100000188475 [0,1,0,1,0,0|2,0,0]=4 22676 B15R1.45797 CCOC(=O)CNCC1(CCSCC1)O 2230a_100000758141_100000188475 [0,1,0,1,0,0|2,0,0]=4 22677 B15R1.45797 CCOC(=O)COCC1(CCCCC1)C 34a_100000688186_100000188475 [0,1,0,1,0,0|1,0,0]=3 22678 B15R1.45797 CCOC(=O)COCC1(CCCCC1)C 7a_100000688186_100000188475 [0,1,0,1,0,0|1,0,0]=3 22679 B15R1.45797 CCOC(=O)COCC1(CCCCC1)F 34a_100000090305_100000188475 [0,1,0,1,0,0|1,0,0]=3 22680 B15R1.45797 CCOC(=O)COCC1(CCCCC1)F 7a_100000090305_100000188475 [0,1,0,1,0,0|1,0,0]=3 22681 B15R1.45797 CCOC(=O)COCC1(CCCCC1)N 34a_100000740034_100000188475 [0,1,0,1,0,0|1,0,0]=3 22682 B15R1.45797 CCOC(=O)COCC1(CCNCC1)F 34a_100016990393_100000188475 [0,1,0,1,0,0|2,0,0]=4 22683 B15R1.45797 CCOC(=O)COCC1(CCOCC1)C 34a_100000704393_100000188475 [0,1,0,1,0,0|2,0,0]=4 22684 B15R1.45797 CCOC(=O)COCC1(CCOCC1)C 7a_100000704393_100000188475 [0,1,0,1,0,0|2,0,0]=4 22685 B15R1.45797 CCOC(=O)COCC1(CCOCC1)N 34a_100000751404_100000188475 [0,1,0,1,0,0|2,0,0]=4 22686 B15R1.45803 CCOC(=O)CCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000765890 [0,1,0,1,0,0|2,0,0]=4 22687 B15R2.31 O=C1CC(CCN1)NC2CCCCC2 34a_100016994916_100000210327 [0,0,0,2,0,0|2,0,0]=4 22688 B15R2.31 O=C1CCCC(C1)OC2CCCCC2 34a_100012613340_100000210327 [0,0,0,2,0,0|2,0,0]=4 22689 B15R2.31 O=C1CN(CCN1)CC2CCCCC2 2230a_100000184651_100000211423 [0,0,0,2,0,0|2,0,0]=4 22690 B15R2.31 O=C1CN(CCO1)CC2CCCCC2 2230a_100000131268_100000211423 [0,0,0,2,0,0|1,0,0]=3 22691 B15R2.31 O=C1CN(CCO1)CC2CCCCO2 2230a_100000131268_100000211543 [0,0,0,2,0,0|2,0,0]=4 22692 B15R2.31 O=C1CN(CCO1)CC2CCCOC2 2230a_100000131268_100000741521 [0,0,0,2,0,0|2,0,0]=4 22693 B15R2.31 O=C1CN(CCO1)CC2CCOCC2 2230a_100000131268_100000754603 [0,0,0,2,0,0|2,0,0]=4 22694 B15R2.31 O=C1CN(CCO1)CC2CCSCC2 270004a_100000131268_100000067145 [0,0,0,2,0,0|2,0,0]=4 22695 B15R2.31 O=C1C[C@@H](CCN1)OC2CCCCC2 34a_100015189427_100000210327 [0,0,0,2,0,0|2,0,0]=4 22696 B15R2.332 CC1CCCCC1N2CCNC(=O)C2 270004a_100000184651_100000210921 [0,0,0,2,0,0|2,0,0]=4 22697 B15R2.332 CC1CCCCC1N2CCOC(=O)C2 270004a_100000131268_100000210921 [0,0,0,2,0,0|1,0,0]=3 22698 B15R2.332 CC1CNCCC1N2CCOC(=O)C2 270004a_100000131268_100000703950 [0,0,0,2,0,0|2,0,0]=4 22699 B15R2.332 CC1COCCC1N2CCOC(=O)C2 270004a_100000131268_100000755695 [0,0,0,2,0,0|2,0,0]=4 22700 B15R2.335 CC1CCCC1NC2CCNC(=O)C2 269862a_100016994916_100000752053 [0,0,0,2,0,0|2,0,0]=4 22701 B15R2.1117 O=C1CC(CCN1)COC2CCCC2 34a_100009886756_100000179811 [0,0,0,2,0,0|2,0,0]=4 22702 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 2230a_100016994916_100000740388 [0,0,0,2,0,0|2,0,0]=4 22703 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 269862a_100016994916_100000746403 [0,0,0,2,0,0|2,0,0]=4 22704 B15R2.1117 O=C1CC(CCN1)NCC2CCCC2 34a_100016994916_100000740388 [0,0,0,2,0,0|2,0,0]=4 22705 B15R2.1117 O=C1CCCC(C1)OCC2CCCC2 34a_100012613340_100000740388 [0,0,0,2,0,0|2,0,0]=4 22706 B15R2.1117 O=C1CN(CCN1)CCC2CCCC2 2230a_100000184651_100000760354 [0,0,0,2,0,0|2,0,0]=4 22707 B15R2.1117 O=C1CN(CCO1)CCC2CCCC2 2230a_100000131268_100000760354 [0,0,0,2,0,0|1,0,0]=3 22708 B15R2.1117 O=C1C[C@@H](CCN1)OCC2CCCC2 34a_100015189427_100000740388 [0,0,0,2,0,0|2,0,0]=4 22709 B15R2.2188 CCC1CCCC1N2CCNC(=O)C2 270004a_100000184651_100000749056 [0,0,0,2,0,0|2,0,0]=4 22710 B15R2.2188 CCC1CCCC1N2CCOC(=O)C2 270004a_100000131268_100000749056 [0,0,0,2,0,0|1,0,0]=3 22711 B15R2.7124 O=C1CN(CCN1)C2CCCCCC2 270004a_100000184651_100000210131 [0,0,0,2,0,0|2,0,0]=4 22712 B15R2.7124 O=C1CN(CCO1)C2CCCCCC2 270004a_100000131268_100000210131 [0,0,0,2,0,0|1,0,0]=3 22713 B15R2.7124 O=C1CN(CCO1)C2CCCNCC2 270004a_100000131268_100015187895 [0,0,0,2,0,0|2,0,0]=4 22714 B15R2.7133 O=C1CC(CCN1)COCCC2CC2 34a_100009886756_100000694398 [0,0,0,2,0,0|2,0,0]=4 22715 B15R2.7146 O=C1CC(CCN1)COCC2CCC2 34a_100009886756_100000763275 [0,0,0,2,0,0|2,0,0]=4 22716 B15R2.404 O=C1CCCC1NCCC2CCCC2 2230a_100000739158_100000211823 [0,0,0,2,0,0|2,0,0]=4 22717 B15R2.404 O=C1CCCC1NCCC2CCCC2 34a_100000739158_100000709159 [0,0,0,2,0,0|2,0,0]=4 22718 B15R2.404 O=C1CCCC1OCCC2CCCC2 34a_100000749090_100000709159 [0,0,0,2,0,0|2,0,0]=4 22719 B15R2.404 O=C1CCCC1OCCC2CCCC2 34a_200000719330_100000760354 [0,0,0,2,0,0|2,0,0]=4 22720 B15R2.404 O=C1CCCC1OCCC2CCCC2 7a_100000749090_100000211823 [0,0,0,2,0,0|2,0,0]=4 22721 B15R2.404 O=C1CCCC1SCCC2CCCC2 62a_100000211823_100000760354 [0,0,0,2,0,0|2,0,0]=4 22722 B15R2.404 O=C1CCCC1SCCC2CCCC2 62a_100000760354_100000211823 [0,0,0,2,0,0|2,0,0]=4 22723 B15R2.404 O=C1NCCC1COCC2CCCC2 34a_100000133458_100000740388 [0,0,0,2,0,0|2,0,0]=4 22724 B15R2.404 O=C1NCCC1NCCC2CCCC2 2230a_100016995588_100000760354 [0,0,0,2,0,0|2,0,0]=4 22725 B15R2.404 O=C1NCCC1NCCC2CCCC2 34a_100016995588_100000760354 [0,0,0,2,0,0|2,0,0]=4 22726 B15R2.404 O=C1NCC[C@@H]1OCCC2CCCC2 34a_100000688343_100000760354 [0,0,0,2,0,0|2,0,0]=4 22727 B15R2.404 O=C1OCCC1NCCC2CCCC2 2230a_100000739158_100000211211 [0,0,0,2,0,0|1,0,0]=3 22728 B15R2.404 O=C1OCCC1NCCC2CCCC2 34a_100000739158_100000211211 [0,0,0,2,0,0|1,0,0]=3 22729 B15R2.404 O=C1OCCC1OCCC2CCCC2 34a_100000749090_100000211211 [0,0,0,2,0,0|1,0,0]=3 22730 B15R2.404 O=C1OCCC1OCCC2CCCC2 7a_100000749090_100000211211 [0,0,0,2,0,0|1,0,0]=3 22731 B15R2.404 O=C1OCCC1OCCC2CCNC2 34a_100016987287_100000211211 [0,0,0,2,0,0|2,0,0]=4 22732 B15R2.404 O=C1OCCC1OCCC2CCOC2 34a_100011879284_100000211211 [0,0,0,2,0,0|2,0,0]=4 22733 B15R2.404 O=C1OCCC1SCCC2CCCC2 62a_100000211211_100000760354 [0,0,0,2,0,0|1,0,0]=3 22734 B15R2.404 O=C1OCCC1SCCC2CCCC2 62a_100000760354_100000211211 [0,0,0,2,0,0|1,0,0]=3 22735 B15R2.404 O=C1OCCC1SCCN2CCCC2 62a_100000211211_100000004467 [0,0,0,2,0,0|2,0,0]=4 22736 B15R2.404 O=C1OCCC1SCCN2CCCC2 62a_100000700749_100000211211 [0,0,0,2,0,0|2,0,0]=4 22737 B15R2.55 O=C1CCCC1NCC2CCCCC2 2230a_100000210473_100000211823 [0,0,0,2,0,0|2,0,0]=4 22738 B15R2.55 O=C1CCCC1NCC2CCCCC2 34a_100000210473_100000709159 [0,0,0,2,0,0|2,0,0]=4 22739 B15R2.55 O=C1CCCC1OCC2CCCCC2 34a_100000212181_100000709159 [0,0,0,2,0,0|2,0,0]=4 22740 B15R2.55 O=C1CCCC1OCC2CCCCC2 34a_200000719330_100000211423 [0,0,0,2,0,0|2,0,0]=4 22741 B15R2.55 O=C1CCCC1OCC2CCCCC2 7a_100000212181_100000211823 [0,0,0,2,0,0|2,0,0]=4 22742 B15R2.55 O=C1CCCC1SCC2CCCCC2 62a_100000211423_100000211823 [0,0,0,2,0,0|2,0,0]=4 22743 B15R2.55 O=C1CCCC1SCC2CCCCC2 62a_100000211823_100000211423 [0,0,0,2,0,0|2,0,0]=4 22744 B15R2.55 O=C1NCCC1COC2CCCCC2 34a_100000133458_100000210327 [0,0,0,2,0,0|2,0,0]=4 22745 B15R2.55 O=C1NCCC1NCC2CCCCC2 2230a_100016995588_100000211423 [0,0,0,2,0,0|2,0,0]=4 22746 B15R2.55 O=C1NCCC1NCC2CCCCC2 34a_100016995588_100000211423 [0,0,0,2,0,0|2,0,0]=4 22747 B15R2.55 O=C1NCC[C@@H]1OCC2CCCCC2 34a_100000688343_100000211423 [0,0,0,2,0,0|2,0,0]=4 22748 B15R2.55 O=C1OCCC1NCC2CCCCC2 2230a_100000210473_100000211211 [0,0,0,2,0,0|1,0,0]=3 22749 B15R2.55 O=C1OCCC1NCC2CCCCC2 34a_100000210473_100000211211 [0,0,0,2,0,0|1,0,0]=3 22750 B15R2.55 O=C1OCCC1NCC2CCCCO2 2230a_100000174945_100000211211 [0,0,0,2,0,0|2,0,0]=4 22751 B15R2.55 O=C1OCCC1NCC2CCCCO2 34a_100000174945_100000211211 [0,0,0,2,0,0|2,0,0]=4 22752 B15R2.55 O=C1OCCC1NCC2CCCOC2 2230a_100000720124_100000211211 [0,0,0,2,0,0|2,0,0]=4 22753 B15R2.55 O=C1OCCC1NCC2CCCOC2 34a_100000720124_100000211211 [0,0,0,2,0,0|2,0,0]=4 22754 B15R2.55 O=C1OCCC1NCC2CCOCC2 2230a_100000746373_100000211211 [0,0,0,2,0,0|2,0,0]=4 22755 B15R2.55 O=C1OCCC1NCC2CCOCC2 34a_100000746373_100000211211 [0,0,0,2,0,0|2,0,0]=4 22756 B15R2.55 O=C1OCCC1NCC2CCSCC2 2230a_100015188806_100000211211 [0,0,0,2,0,0|2,0,0]=4 22757 B15R2.55 O=C1OCCC1NCC2CCSCC2 34a_100015188806_100000211211 [0,0,0,2,0,0|2,0,0]=4 22758 B15R2.55 O=C1OCCC1OCC2CCCCC2 34a_100000212181_100000211211 [0,0,0,2,0,0|1,0,0]=3 22759 B15R2.55 O=C1OCCC1OCC2CCCCC2 7a_100000212181_100000211211 [0,0,0,2,0,0|1,0,0]=3 22760 B15R2.55 O=C1OCCC1OCC2CCCCN2 34a_100000210821_100000211211 [0,0,0,2,0,0|2,0,0]=4 22761 B15R2.55 O=C1OCCC1OCC2CCCCO2 34a_100000211370_100000211211 [0,0,0,2,0,0|2,0,0]=4 22762 B15R2.55 O=C1OCCC1OCC2CCCCO2 7a_100000211370_100000211211 [0,0,0,2,0,0|2,0,0]=4 22763 B15R2.55 O=C1OCCC1OCC2CCCNC2 34a_100000211344_100000211211 [0,0,0,2,0,0|2,0,0]=4 22764 B15R2.55 O=C1OCCC1OCC2CCCOC2 34a_100000741520_100000211211 [0,0,0,2,0,0|2,0,0]=4 22765 B15R2.55 O=C1OCCC1OCC2CCNCC2 34a_100000738675_100000211211 [0,0,0,2,0,0|2,0,0]=4 22766 B15R2.55 O=C1OCCC1OCC2CCOCC2 34a_100000749013_100000211211 [0,0,0,2,0,0|2,0,0]=4 22767 B15R2.55 O=C1OCCC1OCC2CCSCC2 34a_100000070558_100000211211 [0,0,0,2,0,0|2,0,0]=4 22768 B15R2.55 O=C1OCCC1OCC2CCSCC2 7a_100000070558_100000211211 [0,0,0,2,0,0|2,0,0]=4 22769 B15R2.55 O=C1OCCC1SCC2CCCCC2 62a_100000211211_100000211423 [0,0,0,2,0,0|1,0,0]=3 22770 B15R2.55 O=C1OCCC1SCC2CCCCC2 62a_100000211423_100000211211 [0,0,0,2,0,0|1,0,0]=3 22771 B15R2.55 O=C1OCCC1SCC2CCCCO2 62a_100000211211_100000211543 [0,0,0,2,0,0|2,0,0]=4 22772 B15R2.55 O=C1OCCC1SCC2CCCCO2 62a_100000211543_100000211211 [0,0,0,2,0,0|2,0,0]=4 22773 B15R2.55 O=C1OCCC1SCC2CCCOC2 62a_100000211211_100000741521 [0,0,0,2,0,0|2,0,0]=4 22774 B15R2.55 O=C1OCCC1SCC2CCCOC2 62a_100000741521_100000211211 [0,0,0,2,0,0|2,0,0]=4 22775 B15R2.55 O=C1OCCC1SCC2CCOCC2 62a_100000211211_100000749018 [0,0,0,2,0,0|2,0,0]=4 22776 B15R2.55 O=C1OCCC1SCC2CCOCC2 62a_100000754603_100000211211 [0,0,0,2,0,0|2,0,0]=4 22777 B15R2.359 CC1CCCCC1NC2CCCC2=O 2230a_100000211402_100000211823 [0,0,0,2,0,0|2,0,0]=4 22778 B15R2.359 CC1CCCCC1NC2CCCC2=O 34a_100000211402_100000709159 [0,0,0,2,0,0|2,0,0]=4 22779 B15R2.359 CC1CCCCC1NC2CCNC2=O 270004a_100016995588_100000210921 [0,0,0,2,0,0|2,0,0]=4 22780 B15R2.359 CC1CCCCC1NC2CCOC2=O 2230a_100000211402_100000211211 [0,0,0,2,0,0|1,0,0]=3 22781 B15R2.359 CC1CCCCC1NC2CCOC2=O 34a_100000211402_100000211211 [0,0,0,2,0,0|1,0,0]=3 22782 B15R2.359 CC1CCCCC1OC2CCCC2=O 34a_100000211207_100000709159 [0,0,0,2,0,0|2,0,0]=4 22783 B15R2.359 CC1CCCCC1OC2CCCC2=O 7a_100000211207_100000211823 [0,0,0,2,0,0|2,0,0]=4 22784 B15R2.359 CC1CCCCC1OC2CCOC2=O 34a_100000211207_100000211211 [0,0,0,2,0,0|1,0,0]=3 22785 B15R2.359 CC1CCCCC1OC2CCOC2=O 7a_100000211207_100000211211 [0,0,0,2,0,0|1,0,0]=3 22786 B15R2.359 CC1CCNCC1OC2CCOC2=O 34a_100000696640_100000211211 [0,0,0,2,0,0|2,0,0]=4 22787 B15R2.359 CC1CNCCC1OC2CCOC2=O 34a_100011998114_100000211211 [0,0,0,2,0,0|2,0,0]=4 22788 B15R2.359 N[C@@H]1CCCC[C@@H]1OC2CCOC2=O 34a_100015191688_100000211211 [0,0,0,2,0,0|2,0,0]=4 22789 B15R2.359 O=C1OCCC1N[C@@H]2CCCC[C@H]2F 2230a_100015195156_100000211211 [0,0,0,2,0,0|2,0,0]=4 22790 B15R2.359 O=C1OCCC1N[C@@H]2CCCC[C@H]2F 34a_100015195156_100000211211 [0,0,0,2,0,0|2,0,0]=4 22791 B15R2.359 O=C1OCCC1OC2CCCCC2Cl 34a_100000038908_100000211211 [0,0,0,2,0,0|2,0,0]=4 22792 B15R2.359 O=C1OCCC1OC2CCCCC2Cl 7a_100000038908_100000211211 [0,0,0,2,0,0|2,0,0]=4 22793 B15R2.359 O=C1OCCC1O[C@@H]2CCCC[C@H]2F 34a_100009816020_100000211211 [0,0,0,2,0,0|2,0,0]=4 22794 B15R2.359 O=C1OCCC1O[C@@H]2CCCC[C@H]2F 7a_100009816020_100000211211 [0,0,0,2,0,0|2,0,0]=4 22795 B15R2.359 O=C1OCCC1SC2CCCCC2F 62a_100000211211_100015423560 [0,0,0,2,0,0|2,0,0]=4 22796 B15R2.359 O=C1OCCC1SC2CCCCC2F 62a_100015423560_100000211211 [0,0,0,2,0,0|2,0,0]=4 22797 B15R2.359 O=C1OCCC1SC2CCCCC2O 62a_100000038908_100000211211 [0,0,0,2,0,0|2,0,0]=4 22798 B15R2.359 O=C1OCCC1SC2CCCCC2O 62a_100000211211_100000038908 [0,0,0,2,0,0|2,0,0]=4 22799 B15R2.411 CN1CCCC1COC2CCOC2=O 34a_100000743107_100000211211 [0,0,0,2,0,0|2,0,0]=4 22800 B15R2.1321 COC[C@@H]1CCCN1C2CCOC2=O 2230a_100020646714_100000211211 [0,0,0,2,0,0|2,0,0]=4 22801 B15R2.1321 COC[C@@H]1CCCN1C2CCOC2=O 269982a_100020646714_100000211211 [0,0,0,2,0,0|2,0,0]=4 22802 B15R2.1321 COC[C@@H]1CCCN1C2CCOC2=O 34a_100020646714_100000211211 [0,0,0,2,0,0|2,0,0]=4 22803 B15R2.2302 CCC1CCCCN1C2CCCC2=O 2230a_100000210034_100000211823 [0,0,0,2,0,0|2,0,0]=4 22804 B15R2.2302 CCC1CCCCN1C2CCCC2=O 269982a_100000210034_100000211823 [0,0,0,2,0,0|2,0,0]=4 22805 B15R2.2302 CCC1CCCCN1C2CCCC2=O 34a_100000210034_100000709159 [0,0,0,2,0,0|2,0,0]=4 22806 B15R2.2302 CCC1CCCCN1C2CCOC2=O 2230a_100000210034_100000211211 [0,0,0,2,0,0|1,0,0]=3 22807 B15R2.2302 CCC1CCCCN1C2CCOC2=O 269982a_100000210034_100000211211 [0,0,0,2,0,0|1,0,0]=3 22808 B15R2.2302 CCC1CCCCN1C2CCOC2=O 34a_100000210034_100000211211 [0,0,0,2,0,0|1,0,0]=3 22809 B15R2.2302 CC[C@H]1COCCN1C2CCOC2=O 2230a_100016988097_100000211211 [0,0,0,2,0,0|2,0,0]=4 22810 B15R2.2302 CC[C@H]1COCCN1C2CCOC2=O 269982a_100016988097_100000211211 [0,0,0,2,0,0|2,0,0]=4 22811 B15R2.2302 CC[C@H]1COCCN1C2CCOC2=O 34a_100016988097_100000211211 [0,0,0,2,0,0|2,0,0]=4 22812 B15R2.2302 O=C1OCCC1N2CCCCC2CO 2230a_100000210821_100000211211 [0,0,0,2,0,0|2,0,0]=4 22813 B15R2.2302 O=C1OCCC1N2CCCCC2CO 269982a_100000210821_100000211211 [0,0,0,2,0,0|2,0,0]=4 22814 B15R2.2302 O=C1OCCC1N2CCCCC2CO 34a_100000210821_100000211211 [0,0,0,2,0,0|2,0,0]=4 22815 B15R2.2326 CCC1CCCC1NC2CCNC2=O 270004a_100016995588_100000749056 [0,0,0,2,0,0|2,0,0]=4 22816 B15R2.8453 O=C1CCCC1N2CCCCCCC2 2230a_100000211400_100000211823 [0,0,0,2,0,0|2,0,0]=4 22817 B15R2.8453 O=C1CCCC1N2CCCCCCC2 269982a_100000211400_100000211823 [0,0,0,2,0,0|2,0,0]=4 22818 B15R2.8453 O=C1CCCC1N2CCCCCCC2 34a_100000211400_100000709159 [0,0,0,2,0,0|2,0,0]=4 22819 B15R2.8453 O=C1OCCC1N2CCCCCCC2 2230a_100000211400_100000211211 [0,0,0,2,0,0|1,0,0]=3 22820 B15R2.8453 O=C1OCCC1N2CCCCCCC2 269982a_100000211400_100000211211 [0,0,0,2,0,0|1,0,0]=3 22821 B15R2.8453 O=C1OCCC1N2CCCCCCC2 34a_100000211400_100000211211 [0,0,0,2,0,0|1,0,0]=3 22822 B15R2.13884 O=C1CCCC1NC2CCCCCC2 2230a_100000210984_100000211823 [0,0,0,2,0,0|2,0,0]=4 22823 B15R2.13884 O=C1CCCC1NC2CCCCCC2 34a_100000210984_100000709159 [0,0,0,2,0,0|2,0,0]=4 22824 B15R2.13884 O=C1CCCC1OC2CCCCCC2 34a_100000210887_100000709159 [0,0,0,2,0,0|2,0,0]=4 22825 B15R2.13884 O=C1CCCC1OC2CCCCCC2 34a_200000719330_100011217769 [0,0,0,2,0,0|2,0,0]=4 22826 B15R2.13884 O=C1CCCC1OC2CCCCCC2 7a_100000210887_100000211823 [0,0,0,2,0,0|2,0,0]=4 22827 B15R2.13884 O=C1CCCC1SC2CCCCCC2 62a_100000211823_100011217769 [0,0,0,2,0,0|2,0,0]=4 22828 B15R2.13884 O=C1CCCC1SC2CCCCCC2 62a_100011217769_100000211823 [0,0,0,2,0,0|2,0,0]=4 22829 B15R2.13884 O=C1NCCC1NC2CCCCCC2 270004a_100016995588_100000210131 [0,0,0,2,0,0|2,0,0]=4 22830 B15R2.13884 O=C1NCCC1NC2CCCCCC2 34a_100016995588_100011217769 [0,0,0,2,0,0|2,0,0]=4 22831 B15R2.13884 O=C1NCC[C@@H]1OC2CCCCCC2 34a_100000688343_100011217769 [0,0,0,2,0,0|2,0,0]=4 22832 B15R2.13884 O=C1OCCC1NC2CCCCCC2 2230a_100000210984_100000211211 [0,0,0,2,0,0|1,0,0]=3 22833 B15R2.13884 O=C1OCCC1NC2CCCCCC2 34a_100000210984_100000211211 [0,0,0,2,0,0|1,0,0]=3 22834 B15R2.13884 O=C1OCCC1OC2CCCCCC2 34a_100000210887_100000211211 [0,0,0,2,0,0|1,0,0]=3 22835 B15R2.13884 O=C1OCCC1OC2CCCCCC2 7a_100000210887_100000211211 [0,0,0,2,0,0|1,0,0]=3 22836 B15R2.13884 O=C1OCCC1SC2CCCCCC2 62a_100000211211_100011217769 [0,0,0,2,0,0|1,0,0]=3 22837 B15R2.13884 O=C1OCCC1SC2CCCCCC2 62a_100011217769_100000211211 [0,0,0,2,0,0|1,0,0]=3 22838 B15R2.3538 CCOC(=O)CCNC1C2C1COC2 2230a_100000702821_100011206558 [0,0,0,2,0,0|2,0,0]=4 22839 B15R2.3538 CCOC(=O)CCNC1C2C1COC2 34a_100000702821_100000765890 [0,0,0,2,0,0|2,0,0]=4 22840 B15R2.3538 CCOC(=O)COCC1C2C1CNC2 34a_100000045132_100000188475 [0,0,0,2,0,0|2,0,0]=4 22841 B15R2.93110 CCOC(=O)CCN1CCC12COC2 2230a_100015204706_100011206558 [0,0,0,2,0,0|2,0,0]=4 22842 B15R2.93110 CCOC(=O)CCN1CCC12COC2 269982a_100015204706_100011206558 [0,0,0,2,0,0|2,0,0]=4 22843 B15R2.16720 CCCC1CCCCN1C(=O)C2CC2 11a_100000701414_100000210395 [0,0,0,2,0,0|2,0,0]=4 22844 B15R2.16720 CCCC1CCCCN1C(=O)C2CC2 1626a_100000701414_100000210395 [0,0,0,2,0,0|2,0,0]=4 22845 B15R2.16720 CCCC1CCCCN1C(=O)C2CC2 240690a_100000701414_100000210395 [0,0,0,2,0,0|2,0,0]=4 22846 B15R2.16720 CCCC1CCCCN1C(=O)C2CC2 527a_100000701414_100000210395 [0,0,0,2,0,0|2,0,0]=4 22847 B15R2.17198 CCOC(=O)C1CCCCN1C2CC2 269982a_100016990872_100000211595 [0,0,0,2,0,0|1,0,0]=3 22848 B15R2.17198 CCOC(=O)C1CSCCN1C2CC2 269982a_100000735462_100000211595 [0,0,0,2,0,0|2,0,0]=4 22849 B15R2.17198 CCOC(=O)[C@@H]1COCCN1C2CC2 269982a_100015229691_100000211595 [0,0,0,2,0,0|2,0,0]=4 22850 B15R2.74328 CCCC(=O)C12CCCCN1CCC2 1458a_200020892223_100000210303 [0,0,0,2,0,0|2,0,0]=4 22851 B15R2.74328 CCNC(=O)C12CCCCN1CCC2 240690a_100015525214_200020892223 [0,0,0,2,0,0|2,0,0]=4 22852 B15R2.3560 CCOC(=O)CN1C[C@@H]2C[C@H]1CN2C 2230a_100025763010_100000188475 [0,0,0,2,0,0|2,0,0]=4 22853 B15R2.3560 CCOC(=O)CN1C[C@@H]2C[C@H]1CN2C 269982a_100025763010_100000188475 [0,0,0,2,0,0|2,0,0]=4 22854 B15R2.17397 CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C 2230a_100016991816_200000210301 [0,0,0,2,0,0|1,0,0]=3 22855 B15R2.17397 CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C 269982a_100016991816_200000210301 [0,0,0,2,0,0|1,0,0]=3 22856 B15R2.17397 CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[13CH3] 2230a_100016991816_200025704644 [0,0,0,2,0,0|1,0,0]=3 22857 B15R2.17397 CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1[13CH3] 269982a_100016991816_200025704644 [0,0,0,2,0,0|1,0,0]=3 22858 B15R2.17439 CCCC(=O)CN1CCCC1C2CC2 2230a_200000757794_100000747444 [0,0,0,2,0,0|2,0,0]=4 22859 B15R2.17439 CCCC(=O)CN1CCCC1C2CC2 269982a_200000757794_100000747444 [0,0,0,2,0,0|2,0,0]=4 22860 B15R2.17439 CCNC(=O)CN1CCCC1C2CC2 2230a_200000757794_100000183381 [0,0,0,2,0,0|2,0,0]=4 22861 B15R2.17439 CCNC(=O)CN1CCCC1C2CC2 269982a_200000757794_100000183381 [0,0,0,2,0,0|2,0,0]=4 22862 B15R2.17439 CCNC(=O)CN1CCCC1C2CC2 34a_200000757794_100000183381 [0,0,0,2,0,0|2,0,0]=4 22863 B15R2.17439 CCOC(=O)CN1CCCC1C2CC2 2230a_200000757794_100000188475 [0,0,0,2,0,0|1,0,0]=3 22864 B15R2.17439 CCOC(=O)CN1CCCC1C2CC2 269982a_200000757794_100000188475 [0,0,0,2,0,0|1,0,0]=3 22865 B15R2.17439 CCOC(=O)CN1CCCC1C2CC2 34a_200000757794_100000188475 [0,0,0,2,0,0|1,0,0]=3 22866 B15R2.17461 CCOC(=O)CN1C2CCC1COC2 2230a_100015205251_100000188475 [0,0,0,2,0,0|2,0,0]=4 22867 B15R2.17461 CCOC(=O)CN1C2CCC1COC2 269982a_100015205251_100000188475 [0,0,0,2,0,0|2,0,0]=4 22868 B15R2.17461 CCOC(=O)CN1C2CCC1COC2 34a_100015205251_100000188475 [0,0,0,2,0,0|2,0,0]=4 22869 B15R2.75882 CCCC(=O)CC12CCCN1CCC2 1458a_100000070827_100000210303 [0,0,0,2,0,0|2,0,0]=4 22870 B15R2.75882 CCNC(=O)CC12CCCN1CCC2 11a_100015525214_100000070827 [0,0,0,2,0,0|2,0,0]=4 22871 B15R2.75882 CCNC(=O)CC12CCCN1CCC2 240690a_100015525214_100000070827 [0,0,0,2,0,0|2,0,0]=4 22872 B15R2.548 O=C1CCN(CCN1)C2CCCCC2 269982a_100000698595_100000210327 [0,0,0,2,0,0|2,0,0]=4 22873 B15R2.548 O=C1CCN(CCN1)C2CCCCC2 270004a_100000698595_100000210434 [0,0,0,2,0,0|2,0,0]=4 22874 B15R2.3519 CCCC(=O)CSC1C2CCC1CC2 62a_100000747444_100009813300 [0,0,0,2,0,0|2,0,0]=4 22875 B15R2.3519 CCCC(=O)CSC1C2CCC1CC2 62a_100009813300_100000747444 [0,0,0,2,0,0|2,0,0]=4 22876 B15R2.3519 CCNC(=O)CCN1C2CCC1CC2 2230a_100000735658_100000737597 [0,0,0,2,0,0|2,0,0]=4 22877 B15R2.3519 CCNC(=O)CCN1C2CCC1CC2 269982a_100000735658_100000737597 [0,0,0,2,0,0|2,0,0]=4 22878 B15R2.3519 CCNC(=O)CSC1C2CCC1CC2 62a_100000183381_100009813300 [0,0,0,2,0,0|2,0,0]=4 22879 B15R2.3519 CCNC(=O)CSC1C2CCC1CC2 62a_100009813300_100000183381 [0,0,0,2,0,0|2,0,0]=4 22880 B15R2.3519 CCOC(=O)CCN1C2CCC1CC2 2230a_100000735658_100011206558 [0,0,0,2,0,0|1,0,0]=3 22881 B15R2.3519 CCOC(=O)CCN1C2CCC1CC2 269982a_100000735658_100011206558 [0,0,0,2,0,0|1,0,0]=3 22882 B15R2.3519 CCOC(=O)CCN1C2CCC1CC2 34a_100000735658_100000765890 [0,0,0,2,0,0|1,0,0]=3 22883 B15R2.3519 CCOC(=O)CSC1C2CCC1CC2 62a_100000188475_100009813300 [0,0,0,2,0,0|1,0,0]=3 22884 B15R2.3519 CCOC(=O)CSC1C2CCC1CC2 62a_100009813300_100000188475 [0,0,0,2,0,0|1,0,0]=3 22885 B15R2.3562 CCCC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000747444 [0,0,0,2,0,0|2,0,0]=4 22886 B15R2.3562 CCCC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000747444 [0,0,0,2,0,0|2,0,0]=4 22887 B15R2.3562 CCNC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000183381 [0,0,0,2,0,0|2,0,0]=4 22888 B15R2.3562 CCNC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000183381 [0,0,0,2,0,0|2,0,0]=4 22889 B15R2.3562 CCNC(=O)CN1CC2CCC1CC2 34a_100000750499_100000183381 [0,0,0,2,0,0|2,0,0]=4 22890 B15R2.3562 CCOC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000188475 [0,0,0,2,0,0|1,0,0]=3 22891 B15R2.3562 CCOC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000188475 [0,0,0,2,0,0|1,0,0]=3 22892 B15R2.3562 CCOC(=O)CN1CC2CCC1CC2 34a_100000750499_100000188475 [0,0,0,2,0,0|1,0,0]=3 22893 B15R2.16438 O=C(CCCC1CCCCC1)C2CC2 1458a_100000210395_100011713725 [0,0,0,2,0,0|1,0,0]=3 22894 B15R2.16438 O=C(CCCC1CCCCC1)C2CO2 1458a_100000701028_100011713725 [0,0,0,2,0,0|2,0,0]=4 22895 B15R2.16438 O=C(CCCN1CCCCC1)C2CC2 1458a_100000210395_100000690320 [0,0,0,2,0,0|2,0,0]=4 22896 B15R2.16438 O=C(CCOC1CCCCC1)C2CC2 1458a_100000210395_100011211530 [0,0,0,2,0,0|2,0,0]=4 22897 B15R2.16438 O=C(CNCC1CCCCC1)C2CC2 2230a_100000210473_100000746382 [0,0,0,2,0,0|2,0,0]=4 22898 B15R2.16438 O=C(CNCC1CCCCC1)C2CC2 34a_100000210473_100000746382 [0,0,0,2,0,0|2,0,0]=4 22899 B15R2.16438 O=C(COCC1CCCCC1)C2CC2 34a_100000212181_100000746382 [0,0,0,2,0,0|2,0,0]=4 22900 B15R2.16438 O=C(COCC1CCCCC1)C2CC2 34a_100000686663_100000211423 [0,0,0,2,0,0|2,0,0]=4 22901 B15R2.16438 O=C(COCC1CCCCC1)C2CC2 7a_100000212181_100000746382 [0,0,0,2,0,0|2,0,0]=4 22902 B15R2.16438 O=C(CSCC1CCCCC1)C2CC2 62a_100000211423_100000746382 [0,0,0,2,0,0|2,0,0]=4 22903 B15R2.16438 O=C(CSCC1CCCCC1)C2CC2 62a_100000746382_100000211423 [0,0,0,2,0,0|2,0,0]=4 22904 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 11a_100000738074_100000210395 [0,0,0,2,0,0|2,0,0]=4 22905 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 1626a_100000738074_100000210395 [0,0,0,2,0,0|2,0,0]=4 22906 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 240690a_100000738074_100000210395 [0,0,0,2,0,0|2,0,0]=4 22907 B15R2.16438 O=C(NCCC1CCCCC1)C2CC2 527a_100000738074_100000210395 [0,0,0,2,0,0|2,0,0]=4 22908 B15R2.17323 CCNC(=O)CCNC1CC2CC2C1 270004a_100025743525_100010340937 [0,0,0,2,0,0|2,0,0]=4 22909 B15R2.17323 CCOC(=O)CCCN1CC2CC2C1 2230a_100000741873_100009991533 [0,0,0,2,0,0|1,0,0]=3 22910 B15R2.17323 CCOC(=O)CCCN1CC2CC2C1 269982a_100000741873_100009991533 [0,0,0,2,0,0|1,0,0]=3 22911 B15R2.17323 CCOC(=O)CCCN1CC2CC2C1 34a_100000741873_100009991533 [0,0,0,2,0,0|1,0,0]=3 22912 B15R2.17323 CCOC(=O)NCCN1CC2CC2C1 269982a_100000741873_200011445536 [0,0,0,2,0,0|2,0,0]=4 22913 B15R2.73595 CCNC(=O)CCNC1CCC2C1C2 269862a_100025743525_100000692480 [0,0,0,2,0,0|2,0,0]=4 22914 B15R2.73595 CCNC(=O)CCNC1CCC2C1C2 270004a_100025743525_100000692480 [0,0,0,2,0,0|2,0,0]=4 22915 B15R2.73595 CCOC(=O)CCOC1CCC2C1C2 34a_200012295571_100000765890 [0,0,0,2,0,0|1,0,0]=3 22916 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100000211992 [0,0,0,2,0,0|2,0,0]=4 22917 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100000211992 [0,0,0,2,0,0|2,0,0]=4 22918 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100000211992 [0,0,0,2,0,0|2,0,0]=4 22919 B15R2.1356 CCCC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100000211992 [0,0,0,2,0,0|2,0,0]=4 22920 B15R2.1356 CCNC(=O)N1C[C@H]2CCCC[C@H]2C1 2708a_100015525214_100015204113 [0,0,0,2,0,0|2,0,0]=4 22921 B15R2.1356 CCNC(=O)N1C[C@H]2CCCC[C@H]2C1 273464a_100015525214_100015204113 [0,0,0,2,0,0|2,0,0]=4 22922 B15R2.7455 CC1CCCCC1NCC(=O)C2CC2 2230a_100000211402_100000746382 [0,0,0,2,0,0|2,0,0]=4 22923 B15R2.7455 CC1CCCCC1NCC(=O)C2CC2 34a_100000211402_100000746382 [0,0,0,2,0,0|2,0,0]=4 22924 B15R2.7455 CC1CCCCC1OCC(=O)C2CC2 34a_100000211207_100000746382 [0,0,0,2,0,0|2,0,0]=4 22925 B15R2.7455 CC1CCCCC1OCC(=O)C2CC2 7a_100000211207_100000746382 [0,0,0,2,0,0|2,0,0]=4 22926 B15R2.7455 CN1CCCCC1CCC(=O)C2CC2 1458a_100000210395_100000211948 [0,0,0,2,0,0|2,0,0]=4 22927 B15R2.17289 CCCC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000747444 [0,0,0,2,0,0|2,0,0]=4 22928 B15R2.17289 CCCC(=O)CSC1CC2CCC1C2 62a_100000727232_100000747444 [0,0,0,2,0,0|2,0,0]=4 22929 B15R2.17289 CCCC(=O)CSC1CC2CCC1C2 62a_100000747444_100000727232 [0,0,0,2,0,0|2,0,0]=4 22930 B15R2.17289 CCNC(=O)CCN1CC2CCC1C2 2230a_100000743476_100000737597 [0,0,0,2,0,0|2,0,0]=4 22931 B15R2.17289 CCNC(=O)CCN1CC2CCC1C2 240690a_100015525214_100020603520 [0,0,0,2,0,0|2,0,0]=4 22932 B15R2.17289 CCNC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000737597 [0,0,0,2,0,0|2,0,0]=4 22933 B15R2.17289 CCNC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000183381 [0,0,0,2,0,0|2,0,0]=4 22934 B15R2.17289 CCNC(=O)CNC1CC2CCC1C2 270004a_100016988866_100000223372 [0,0,0,2,0,0|2,0,0]=4 22935 B15R2.17289 CCNC(=O)CNC1CC2CCC1C2 34a_100000758229_100000183381 [0,0,0,2,0,0|2,0,0]=4 22936 B15R2.17289 CCNC(=O)COC1CC2CCC1C2 34a_100000211339_100000183381 [0,0,0,2,0,0|2,0,0]=4 22937 B15R2.17289 CCNC(=O)CSC1CC2CCC1C2 62a_100000183381_100000727232 [0,0,0,2,0,0|2,0,0]=4 22938 B15R2.17289 CCNC(=O)CSC1CC2CCC1C2 62a_100000727232_100000183381 [0,0,0,2,0,0|2,0,0]=4 22939 B15R2.17289 CCOC(=O)CCN1CC2CCC1C2 2230a_100000743476_100011206558 [0,0,0,2,0,0|1,0,0]=3 22940 B15R2.17289 CCOC(=O)CCN1CC2CCC1C2 269982a_100000743476_100011206558 [0,0,0,2,0,0|1,0,0]=3 22941 B15R2.17289 CCOC(=O)CCN1CC2CCC1C2 34a_100000743476_100000765890 [0,0,0,2,0,0|1,0,0]=3 22942 B15R2.17289 CCOC(=O)CCN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_100011206558 [0,0,0,2,0,0|2,0,0]=4 22943 B15R2.17289 CCOC(=O)CCN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_100011206558 [0,0,0,2,0,0|2,0,0]=4 22944 B15R2.17289 CCOC(=O)CCN1C[C@H]2C[C@@H]1CO2 34a_100016995552_100000765890 [0,0,0,2,0,0|2,0,0]=4 22945 B15R2.17289 CCOC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000188475 [0,0,0,2,0,0|1,0,0]=3 22946 B15R2.17289 CCOC(=O)CNC1CC2CCC1C2 34a_100000758229_100000188475 [0,0,0,2,0,0|1,0,0]=3 22947 B15R2.17289 CCOC(=O)COC1CC2CCC1C2 34a_100000211339_100000188475 [0,0,0,2,0,0|1,0,0]=3 22948 B15R2.17289 CCOC(=O)CSC1CC2CCC1C2 62a_100000188475_100000727232 [0,0,0,2,0,0|1,0,0]=3 22949 B15R2.17289 CCOC(=O)CSC1CC2CCC1C2 62a_100000727232_100000188475 [0,0,0,2,0,0|1,0,0]=3 22950 B15R2.1352 CCCC(=O)C1CCN1C2CCCC2 1458a_100000043100_100000210303 [0,0,0,2,0,0|2,0,0]=4 22951 B15R2.1352 CCNC(=O)C1CCN1C2CCCC2 240690a_100015525214_100000043100 [0,0,0,2,0,0|2,0,0]=4 22952 B15R2.1352 CCNC(=O)C1CCN1C2CCCC2 527a_100015525214_100000043100 [0,0,0,2,0,0|2,0,0]=4 22953 B15R2.8679 O=C1CCN(CCN1)CC2CCCC2 2230a_100000698595_100000740388 [0,0,0,2,0,0|2,0,0]=4 22954 B15R2.8679 O=C1CCN(CCN1)CC2CCCC2 269982a_100000698595_100000740388 [0,0,0,2,0,0|2,0,0]=4 22955 B15R2.69947 O=C(CNCCC1CCCC1)C2CC2 2230a_100000739158_100000746382 [0,0,0,2,0,0|2,0,0]=4 22956 B15R2.69947 O=C(CNCCC1CCCC1)C2CC2 34a_100000739158_100000746382 [0,0,0,2,0,0|2,0,0]=4 22957 B15R2.69947 O=C(COCCC1CCCC1)C2CC2 34a_100000686663_100000760354 [0,0,0,2,0,0|2,0,0]=4 22958 B15R2.69947 O=C(COCCC1CCCC1)C2CC2 34a_100000749090_100000746382 [0,0,0,2,0,0|2,0,0]=4 22959 B15R2.69947 O=C(COCCC1CCCC1)C2CC2 7a_100000749090_100000746382 [0,0,0,2,0,0|2,0,0]=4 22960 B15R2.69947 O=C(CSCCC1CCCC1)C2CC2 62a_100000746382_100000760354 [0,0,0,2,0,0|2,0,0]=4 22961 B15R2.69947 O=C(CSCCC1CCCC1)C2CC2 62a_100000760354_100000746382 [0,0,0,2,0,0|2,0,0]=4 22962 B15R2.69947 O=C(NCCCC1CCCC1)C2CC2 11a_100000736752_100000210395 [0,0,0,2,0,0|2,0,0]=4 22963 B15R2.69947 O=C(NCCCC1CCCC1)C2CC2 1626a_100000736752_100000210395 [0,0,0,2,0,0|2,0,0]=4 22964 B15R2.69947 O=C(NCCCC1CCCC1)C2CC2 240690a_100000736752_100000210395 [0,0,0,2,0,0|2,0,0]=4 22965 B15R2.69947 O=C(NCCCC1CCCC1)C2CC2 527a_100000736752_100000210395 [0,0,0,2,0,0|2,0,0]=4 22966 B15R2.17426 CCNC(=O)[C@@H]1CCCN1C2CCC2 269982a_100020641767_100000749161 [0,0,0,2,0,0|2,0,0]=4 22967 B15R2.17426 CCNC(=O)[C@@H]1CCCN1C2CCC2 270004a_100020641767_100000241760 [0,0,0,2,0,0|2,0,0]=4 22968 B15R2.17426 CCNC(=O)[C@@H]1CCCN1C2CCC2 34a_100020641767_100000749161 [0,0,0,2,0,0|2,0,0]=4 22969 B15R2.17426 CCOC(=O)[C@@H]1CCCN1C2CCC2 269982a_100000703725_100000749161 [0,0,0,2,0,0|1,0,0]=3 22970 B15R2.17426 CCOC(=O)[C@@H]1CCCN1C2CCC2 270004a_100000703725_100000241760 [0,0,0,2,0,0|1,0,0]=3 22971 B15R2.17426 CCOC(=O)[C@@H]1CCCN1C2COC2 269982a_100000703725_100000687716 [0,0,0,2,0,0|2,0,0]=4 22972 B15R2.17426 CCOC(=O)[C@@H]1CSCN1C2CCC2 269982a_100016989239_100000749161 [0,0,0,2,0,0|2,0,0]=4 22973 B15R2.17426 CCOC(=O)[C@@H]1CSCN1C2CCC2 270004a_100016989239_100000241760 [0,0,0,2,0,0|2,0,0]=4 22974 B15R2.17349 CCNC(=O)[C@@H]1CCCN1CC2CC2 2230a_100020641767_100000742324 [0,0,0,2,0,0|2,0,0]=4 22975 B15R2.17349 CCNC(=O)[C@@H]1CCCN1CC2CC2 269982a_100020641767_100000756562 [0,0,0,2,0,0|2,0,0]=4 22976 B15R2.17349 CCNC(=O)[C@@H]1CCCN1CC2CC2 34a_100020641767_100000742324 [0,0,0,2,0,0|2,0,0]=4 22977 B15R2.17349 CCOC(=O)[C@@H]1CCCN1CC2CC2 2230a_100000703725_100000742324 [0,0,0,2,0,0|1,0,0]=3 22978 B15R2.17349 CCOC(=O)[C@@H]1CCCN1CC2CC2 269982a_100000703725_100000756562 [0,0,0,2,0,0|1,0,0]=3 22979 B15R2.17349 CCOC(=O)[C@@H]1CCCN1CC2CO2 2230a_100000703725_100011216344 [0,0,0,2,0,0|2,0,0]=4 22980 B15R2.17349 CCOC(=O)[C@@H]1CCCN1CC2CO2 269982a_100000703725_102125554688 [0,0,0,2,0,0|2,0,0]=4 22981 B15R2.17349 CCOC(=O)[C@@H]1CCCN1CC2CS2 269982a_100000703725_100000031435 [0,0,0,2,0,0|2,0,0]=4 22982 B15R2.17349 CCOC(=O)[C@@H]1CCCN1C[C@@H]2CO2 269982a_100000703725_100000745022 [0,0,0,2,0,0|2,0,0]=4 22983 B15R2.17349 CCOC(=O)[C@@H]1CSCN1CC2CC2 269982a_100016989239_100000756562 [0,0,0,2,0,0|2,0,0]=4 22984 B15R2.17712 CCCCN1CCN2C(=O)CCC2C1 2230a_100020639069_100000210211 [0,0,0,2,0,0|2,0,0]=4 22985 B15R2.17712 CCCCN1CCN2C(=O)CCC2C1 269982a_100020639069_100000210211 [0,0,0,2,0,0|2,0,0]=4 22986 B15R2.17712 CCCCN1CCN2C(=O)CCC2C1 34a_100020639069_100000210210 [0,0,0,2,0,0|2,0,0]=4 22987 B15R2.4352 CCNC(=O)CCN1CCCC12CC2 2230a_100020620911_100000737597 [0,0,0,2,0,0|2,0,0]=4 22988 B15R2.4352 CCNC(=O)CCN1CCCC12CC2 269982a_100020620911_100000737597 [0,0,0,2,0,0|2,0,0]=4 22989 B15R2.4352 CCOC(=O)CCN1CCCC12CC2 2230a_100020620911_100011206558 [0,0,0,2,0,0|1,0,0]=3 22990 B15R2.4352 CCOC(=O)CCN1CCCC12CC2 269982a_100020620911_100011206558 [0,0,0,2,0,0|1,0,0]=3 22991 B15R2.4352 CCOC(=O)CCN1CCCC12CC2 34a_100020620911_100000765890 [0,0,0,2,0,0|1,0,0]=3 22992 B15R2.2146 CCCC(=O)CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000747444 [0,0,0,2,0,0|2,0,0]=4 22993 B15R2.2146 CCCC(=O)CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000747444 [0,0,0,2,0,0|2,0,0]=4 22994 B15R2.2146 CCNC(=O)CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000183381 [0,0,0,2,0,0|2,0,0]=4 22995 B15R2.2146 CCNC(=O)CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000183381 [0,0,0,2,0,0|2,0,0]=4 22996 B15R2.2146 CCNC(=O)CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000183381 [0,0,0,2,0,0|2,0,0]=4 22997 B15R2.2146 CCOC(=O)CN1C[C@H]2CCC[C@H]2C1 2230a_100102946302_100000188475 [0,0,0,2,0,0|1,0,0]=3 22998 B15R2.2146 CCOC(=O)CN1C[C@H]2CCC[C@H]2C1 269982a_100102946302_100000188475 [0,0,0,2,0,0|1,0,0]=3 22999 B15R2.2146 CCOC(=O)CN1C[C@H]2CCC[C@H]2C1 34a_100102946302_100000188475 [0,0,0,2,0,0|1,0,0]=3 23000 B15R2.2146 CCOC(=O)CN1C[C@H]2COC[C@H]2C1 2230a_100000700037_100000188475 [0,0,0,2,0,0|2,0,0]=4 23001 B15R2.2146 CCOC(=O)CN1C[C@H]2COC[C@H]2C1 269982a_100000700037_100000188475 [0,0,0,2,0,0|2,0,0]=4 23002 B15R2.2146 CCOC(=O)CN1C[C@H]2COC[C@H]2C1 34a_100000700037_100000188475 [0,0,0,2,0,0|2,0,0]=4 23003 B15R2.4930 CCC1CCCCN1CC(=O)C2CC2 2230a_100000210034_100000746382 [0,0,0,2,0,0|2,0,0]=4 23004 B15R2.4930 CCC1CCCCN1CC(=O)C2CC2 269982a_100000210034_100000746382 [0,0,0,2,0,0|2,0,0]=4 23005 B15R2.4930 CCC1CCCCN1CC(=O)C2CC2 34a_100000210034_100000746382 [0,0,0,2,0,0|2,0,0]=4 23006 B15R2.3778 O=C(C1CC1)N2CCCCCCCC2 11a_100000039187_100000210395 [0,0,0,2,0,0|2,0,0]=4 23007 B15R2.3778 O=C(C1CC1)N2CCCCCCCC2 1626a_100000039187_100000210395 [0,0,0,2,0,0|2,0,0]=4 23008 B15R2.3778 O=C(C1CC1)N2CCCCCCCC2 240690a_100000039187_100000210395 [0,0,0,2,0,0|2,0,0]=4 23009 B15R2.3778 O=C(C1CC1)N2CCCCCCCC2 527a_100000039187_100000210395 [0,0,0,2,0,0|2,0,0]=4 23010 B15R2.69936 O=C(CN1CCCCCCC1)C2CC2 2230a_100000211400_100000746382 [0,0,0,2,0,0|2,0,0]=4 23011 B15R2.69936 O=C(CN1CCCCCCC1)C2CC2 269982a_100000211400_100000746382 [0,0,0,2,0,0|2,0,0]=4 23012 B15R2.69936 O=C(CN1CCCCCCC1)C2CC2 34a_100000211400_100000746382 [0,0,0,2,0,0|2,0,0]=4 23013 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 11a_100000211152_100000210395 [0,0,0,2,0,0|2,0,0]=4 23014 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 1626a_100000211152_100000210395 [0,0,0,2,0,0|2,0,0]=4 23015 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 240690a_100000211152_100000210395 [0,0,0,2,0,0|2,0,0]=4 23016 B15R2.69936 O=C(NC1CCCCCCC1)C2CC2 527a_100000211152_100000210395 [0,0,0,2,0,0|2,0,0]=4 23017 B15R2.70120 O=C(CCN1CCCCCC1)C2CC2 1458a_100000210395_100000722644 [0,0,0,2,0,0|2,0,0]=4 23018 B15R2.70120 O=C(CNC1CCCCCC1)C2CC2 2230a_100000210984_100000746382 [0,0,0,2,0,0|2,0,0]=4 23019 B15R2.70120 O=C(CNC1CCCCCC1)C2CC2 34a_100000210984_100000746382 [0,0,0,2,0,0|2,0,0]=4 23020 B15R2.70120 O=C(COC1CCCCCC1)C2CC2 34a_100000210887_100000746382 [0,0,0,2,0,0|2,0,0]=4 23021 B15R2.70120 O=C(COC1CCCCCC1)C2CC2 34a_100000686663_100011217769 [0,0,0,2,0,0|2,0,0]=4 23022 B15R2.70120 O=C(COC1CCCCCC1)C2CC2 7a_100000210887_100000746382 [0,0,0,2,0,0|2,0,0]=4 23023 B15R2.70120 O=C(CSC1CCCCCC1)C2CC2 62a_100000746382_100011217769 [0,0,0,2,0,0|2,0,0]=4 23024 B15R2.70120 O=C(CSC1CCCCCC1)C2CC2 62a_100011217769_100000746382 [0,0,0,2,0,0|2,0,0]=4 23025 B15R2.70120 O=C(NCC1CCCCCC1)C2CC2 11a_100015204231_100000210395 [0,0,0,2,0,0|2,0,0]=4 23026 B15R2.70120 O=C(NCC1CCCCCC1)C2CC2 1626a_100015204231_100000210395 [0,0,0,2,0,0|2,0,0]=4 23027 B15R2.70120 O=C(NCC1CCCCCC1)C2CC2 240690a_100015204231_100000210395 [0,0,0,2,0,0|2,0,0]=4 23028 B15R2.70120 O=C(NCC1CCCCCC1)C2CC2 527a_100015204231_100000210395 [0,0,0,2,0,0|2,0,0]=4